Institute of Experimental Mineralogy
Russian Academy of Sciences
-------------------------------------------------
142432, Chernogolovka, Moscow district
A.V. Chichagov +7(496)52-22320
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*** W W W - X R A Y P O L ***
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MATYHITE
1, t-whitlockite, DN
Ca(9)Ca(0.5)[](0.5)Fe[PO(4)](7)
Hexagonal R 3c Z = 6
R3c
6 .7 .23
Ref.Str.:
Hwang S.L., Shen P., Chu H.T., Yui T.F., Varela M.E., Iizuka Y. (2019)
* Mineralogical Magazine, 83(2), 293-313
L: $Ca0.42 Na0.05 K0.01 Fe2+0.68 Fe3+0.26 Ti0.01 Al0.02 Mn0.01 Zn0.01
P6.75 Si0.26 O28.02
R: Locality - the D'Orbigny angrite meteorite, D'Orbigny, Coronel Suarez,
Buenos Aires Province, Argentina. IMA2015-121.
The coordinates of atoms are from KEPLERITE [1]. N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 10.456 alpha = 90.0
b = 10.456 beta = 90.0
c = 37.408 gamma = 120.0
Unit cell volume (cub. angs.) = 3541.82
Molar volume ( cub.cm/mol.) = 355.56
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.7273 0.858 0.4313 0.0 Ca = 1.00
2 0.6159 0.8233 0.23 0.0 Ca = 1.00
3 0.125 0.2719 0.3242 0.0 Ca = 1.00
4 0.0 0.0 0.1868 0.0 Ca = 0.42, Na = 0.05
5 0.0 0.0 0.9995 0.0 Fe = 1.00
6 0.0 0.0 0.2649 0.0 P = 1.00
7 0.6869 0.8611 0.1338 0.0 P = 1.00
8 0.6564 0.8491 0.03 0.0 P = 1.00
9 0.0 0.0 0.3056 0.0 O = 1.00
10 0.0047 0.8619 0.251 0.0 O = 1.00
11 0.74 0.919 0.1722 0.0 O = 1.00
12 0.7567 0.7721 0.1199 0.0 O = 1.00
13 0.7235 0.0003 0.1108 0.0 O = 1.00
14 0.5142 0.7602 0.1315 0.0 O = 1.00
15 0.6039 0.9568 0.0426 0.0 O = 1.00
16 0.5787 0.6991 0.0503 0.0 O = 1.00
17 0.8254 0.9228 0.0369 0.0 O = 1.00
18 0.6212 0.8179 0.9899 0.0 O = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.7273 0.858 0.4313
2 2 0.6159 0.8233 0.23
3 3 0.125 0.2719 0.3242
4 4 0.0 0.0 0.1868
5 5 0.0 0.0 0.9995
6 6 0.0 0.0 0.2649
7 7 0.6869 0.8611 0.1338
8 8 0.6564 0.8491 0.03
9 9 0.0 0.0 0.3056
10 10 0.0047 0.8619 0.251
11 11 0.74 0.919 0.1722
12 12 0.7567 0.7721 0.1199
13 13 0.7235 0.0003 0.1108
14 14 0.5142 0.7602 0.1315
15 15 0.6039 0.9568 0.0426
16 16 0.5787 0.6991 0.0503
17 17 0.8254 0.9228 0.0369
18 18 0.6212 0.8179 0.9899
19 1 0.142 0.8693 0.4313
20 1 0.1307 0.2727 0.4313
21 2 0.1767 0.7926 0.23
22 2 0.2074 0.3841 0.23
23 3 0.7281 0.8531 0.3242
24 3 0.1469 0.875 0.3242
25 7 0.1389 0.8258 0.1338
26 7 0.1742 0.3131 0.1338
27 8 0.1509 0.8073 0.03
28 8 0.1927 0.3436 0.03
29 10 0.1381 0.1428 0.251
30 10 0.8572 0.9953 0.251
31 11 0.081 0.821 0.1722
32 11 0.179 0.26 0.1722
33 12 0.2279 0.9846 0.1199
34 12 0.0154 0.2433 0.1199
35 13 0.9997 0.7232 0.1108
36 13 0.2768 0.2765 0.1108
37 14 0.2398 0.754 0.1315
38 14 0.246 0.4858 0.1315
39 15 0.0432 0.6471 0.0426
40 15 0.3529 0.3961 0.0426
41 16 0.3009 0.8796 0.0503
42 16 0.1204 0.4213 0.0503
43 17 0.0772 0.9026 0.0369
44 17 0.0974 0.1746 0.0369
45 18 0.1821 0.8033 0.9899
46 18 0.1967 0.3788 0.9899
47 1 0.8087 0.2026 0.7647
48 1 0.4641 0.9394 0.098
49 2 0.8433 0.1259 0.5634
50 2 0.5407 0.0507 0.8967
51 3 0.3948 0.1865 0.6575
52 3 0.4802 0.5416 0.9909
53 4 0.6667 0.3333 0.5201
54 4 0.3333 0.6667 0.8534
55 5 0.6667 0.3333 0.3328
56 5 0.3333 0.6667 0.6661
57 6 0.6667 0.3333 0.5982
58 6 0.3333 0.6667 0.9316
59 7 0.8056 0.1591 0.4671
60 7 0.5075 0.9798 0.8005
61 8 0.8176 0.1406 0.3634
62 8 0.526 0.0103 0.6967
63 9 0.6667 0.3333 0.6389
64 9 0.3333 0.6667 0.9723
65 10 0.8048 0.4761 0.5843
66 10 0.1905 0.662 0.9177
67 11 0.7477 0.1543 0.5055
68 11 0.5123 0.9267 0.8388
69 12 0.8946 0.3179 0.4532
70 12 0.3487 0.91 0.7865
71 13 0.6664 0.0565 0.4441
72 13 0.6101 0.9432 0.7775
73 14 0.9065 0.0873 0.4649
74 14 0.5793 0.1525 0.7982
75 15 0.7099 0.9804 0.3759
76 15 0.6862 0.0628 0.7092
77 16 0.9676 0.2129 0.3836
78 16 0.4537 0.088 0.7169
79 17 0.7439 0.2359 0.3703
80 17 0.4307 0.8413 0.7036
81 18 0.8488 0.1366 0.3232
82 18 0.53 0.0455 0.6565
83 1 0.7974 0.6061 0.7647
84 1 0.0606 0.5247 0.098
85 1 0.3939 0.1913 0.7647
86 1 0.4753 0.5359 0.098
87 2 0.8741 0.7174 0.5634
88 2 0.9492 0.49 0.8967
89 2 0.2826 0.1567 0.5634
90 2 0.51 0.4592 0.8967
91 3 0.8135 0.2083 0.6575
92 3 0.4584 0.9386 0.9909
93 3 0.7917 0.6052 0.6575
94 3 0.0614 0.5198 0.9909
95 7 0.8409 0.6464 0.4671
96 7 0.0202 0.5278 0.8005
97 7 0.3536 0.1944 0.4671
98 7 0.4722 0.4924 0.8005
99 8 0.8594 0.6769 0.3634
100 8 0.9897 0.5158 0.6967
101 8 0.3231 0.1824 0.3634
102 8 0.4842 0.474 0.6967
103 10 0.5239 0.3286 0.5843
104 10 0.338 0.5286 0.9177
105 10 0.6714 0.1952 0.5843
106 10 0.4714 0.8095 0.9177
107 11 0.8457 0.5933 0.5055
108 11 0.0733 0.5857 0.8388
109 11 0.4067 0.2523 0.5055
110 11 0.4143 0.4876 0.8388
111 12 0.6821 0.5766 0.4532
112 12 0.09 0.4388 0.7865
113 12 0.4234 0.1054 0.4532
114 12 0.5612 0.6512 0.7865
115 13 0.9435 0.6098 0.4441
116 13 0.0568 0.667 0.7775
117 13 0.3902 0.3336 0.4441
118 13 0.333 0.3898 0.7775
119 14 0.9127 0.8191 0.4649
120 14 0.8475 0.4269 0.7982
121 14 0.1809 0.0935 0.4649
122 14 0.5731 0.4206 0.7982
123 15 0.0196 0.7294 0.3759
124 15 0.9372 0.6235 0.7092
125 15 0.2706 0.2901 0.3759
126 15 0.3765 0.3137 0.7092
127 16 0.7871 0.7546 0.3836
128 16 0.912 0.3658 0.7169
129 16 0.2454 0.0324 0.3836
130 16 0.6342 0.5462 0.7169
131 17 0.7641 0.5079 0.3703
132 17 0.1587 0.5895 0.7036
133 17 0.4921 0.2561 0.3703
134 17 0.4105 0.5692 0.7036
135 18 0.8634 0.7121 0.3232
136 18 0.9545 0.4846 0.6565
137 18 0.2879 0.1512 0.3232
138 18 0.5154 0.4699 0.6565
139 1 0.7273 0.8693 0.9313
140 2 0.6159 0.7926 0.73
141 3 0.125 0.8531 0.8242
142 4 0.0 0.0 0.6868
143 5 0.0 0.0 0.4995
144 6 0.0 0.0 0.7649
145 7 0.6869 0.8258 0.6338
146 8 0.6564 0.8073 0.53
147 9 0.0 0.0 0.8056
148 10 0.0047 0.1428 0.751
149 11 0.74 0.821 0.6722
150 12 0.7567 0.9846 0.6198
151 13 0.7235 0.7232 0.6108
152 14 0.5142 0.754 0.6315
153 15 0.6039 0.6471 0.5426
154 16 0.5787 0.8796 0.5502
155 17 0.8254 0.9026 0.5369
156 18 0.6212 0.8033 0.4899
157 1 0.142 0.2727 0.9313
158 1 0.1307 0.858 0.9313
159 2 0.1767 0.3841 0.73
160 2 0.2074 0.8233 0.73
161 3 0.7281 0.875 0.8242
162 3 0.1469 0.2719 0.8242
163 7 0.1389 0.3131 0.6338
164 7 0.1742 0.8611 0.6338
165 8 0.1509 0.3436 0.53
166 8 0.1927 0.8491 0.53
167 10 0.1381 0.9953 0.751
168 10 0.8572 0.8619 0.751
169 11 0.081 0.26 0.6722
170 11 0.179 0.919 0.6722
171 12 0.2279 0.2433 0.6198
172 12 0.0154 0.7721 0.6198
173 13 0.9997 0.2765 0.6108
174 13 0.2768 0.0003 0.6108
175 14 0.2398 0.4858 0.6315
176 14 0.246 0.7602 0.6315
177 15 0.0432 0.3961 0.5426
178 15 0.3529 0.9568 0.5426
179 16 0.3009 0.4213 0.5502
180 16 0.1204 0.6991 0.5502
181 17 0.0772 0.1746 0.5369
182 17 0.0974 0.9228 0.5369
183 18 0.1821 0.3788 0.4899
184 18 0.1967 0.8179 0.4899
185 1 0.8087 0.6061 0.2647
186 1 0.4641 0.5247 0.598
187 2 0.8433 0.7174 0.0634
188 2 0.5407 0.49 0.3967
189 3 0.3948 0.2083 0.1575
190 3 0.4802 0.9386 0.4909
191 4 0.6667 0.3333 0.0201
192 4 0.3333 0.6667 0.3534
193 5 0.6667 0.3333 0.8328
194 5 0.3333 0.6667 0.1661
195 6 0.6667 0.3333 0.0982
196 6 0.3333 0.6667 0.4316
197 7 0.8056 0.6464 0.9671
198 7 0.5075 0.5278 0.3005
199 8 0.8176 0.6769 0.8634
200 8 0.526 0.5158 0.1967
201 9 0.6667 0.3333 0.1389
202 9 0.3333 0.6667 0.4723
203 10 0.8048 0.3286 0.0843
204 10 0.1905 0.5286 0.4177
205 11 0.7477 0.5933 0.0055
206 11 0.5123 0.5857 0.3388
207 12 0.8946 0.5766 0.9532
208 12 0.3487 0.4388 0.2865
209 13 0.6664 0.6098 0.9441
210 13 0.6101 0.667 0.2775
211 14 0.9065 0.8191 0.9649
212 14 0.5793 0.4269 0.2982
213 15 0.7099 0.7294 0.8759
214 15 0.6862 0.6235 0.2092
215 16 0.9676 0.7546 0.8836
216 16 0.4537 0.3658 0.2169
217 17 0.7439 0.5079 0.8703
218 17 0.4307 0.5895 0.2036
219 18 0.8488 0.7121 0.8232
220 18 0.53 0.4846 0.1565
221 1 0.7974 0.1913 0.2647
222 1 0.0606 0.5359 0.598
223 1 0.3939 0.2026 0.2647
224 1 0.4753 0.9394 0.598
225 2 0.8741 0.1567 0.0634
226 2 0.9492 0.4593 0.3967
227 2 0.2826 0.1259 0.0634
228 2 0.51 0.0507 0.3967
229 3 0.8135 0.6052 0.1575
230 3 0.4584 0.5198 0.4909
231 3 0.7917 0.1865 0.1575
232 3 0.0614 0.5416 0.4909
233 7 0.8409 0.1944 0.9671
234 7 0.0202 0.4925 0.3005
235 7 0.3536 0.1591 0.9671
236 7 0.4722 0.9798 0.3005
237 8 0.8594 0.1824 0.8634
238 8 0.9897 0.474 0.1967
239 8 0.3231 0.1406 0.8634
240 8 0.4842 0.0103 0.1967
241 10 0.5239 0.1952 0.0843
242 10 0.338 0.8095 0.4177
243 10 0.6714 0.4761 0.0843
244 10 0.4714 0.662 0.4177
245 11 0.8457 0.2523 0.0055
246 11 0.0733 0.4877 0.3388
247 11 0.4067 0.1543 0.0055
248 11 0.4143 0.9267 0.3388
249 12 0.6821 0.1054 0.9532
250 12 0.09 0.6513 0.2865
251 12 0.4234 0.3179 0.9532
252 12 0.5612 0.91 0.2865
253 13 0.9435 0.3336 0.9441
254 13 0.0568 0.3899 0.2775
255 13 0.3902 0.0565 0.9441
256 13 0.333 0.9432 0.2775
257 14 0.9127 0.0935 0.9649
258 14 0.8475 0.4207 0.2982
259 14 0.1809 0.0873 0.9649
260 14 0.5731 0.1525 0.2982
261 15 0.0196 0.2901 0.8759
262 15 0.9372 0.3138 0.2092
263 15 0.2706 0.9804 0.8759
264 15 0.3765 0.0628 0.2092
265 16 0.7871 0.0324 0.8836
266 16 0.912 0.5463 0.2169
267 16 0.2454 0.2129 0.8836
268 16 0.6342 0.088 0.2169
269 17 0.7641 0.2561 0.8703
270 17 0.1587 0.5693 0.2036
271 17 0.4921 0.2359 0.8703
272 17 0.4105 0.8413 0.2036
273 18 0.8634 0.1512 0.8232
274 18 0.9545 0.47 0.1565
275 18 0.2879 0.1366 0.8232
276 18 0.5154 0.0455 0.1565
X-ray density (g/cm cub.) = 3.09
MU (1/cm) = 358.373 Mass attenuation coefficient (cm**2/g) = 115.923
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Ca 2.88 8
2.5031 13
2.5181 14
2.4915 15
2.8557 12
2.5068 14
2.3295 16
2.3906 18
2.4772 10
2 Ca 2.88 8
2.4639 11
2.3825 10
2.3925 13
2.6552 15
2.4438 17
2.4756 12
2.7213 16
2.4554 17
3 Ca 2.88 8
2.5613 9
2.6471 16
2.5022 18
2.4078 15
2.5767 18
2.5345 12
2.627 11
2.4433 13
4 Ca ,Na 2.88 6
2.8163 10
2.4705 11
2.8163 10
2.8162 10
2.4706 11
2.4705 11
5 Fe 2.592 6
2.1158 17
2.1159 17
2.1158 17
2.0875 14
2.0875 14
2.0875 14
6 P 2.232 4
1.5225 9
1.5585 10
1.5584 10
1.5584 10
7 P 2.232 4
1.5495 11
1.5329 12
1.5644 13
1.5735 14
8 P 2.232 4
1.5514 15
1.5548 16
1.556 17
1.543 18
9 O 3.264 6
2.516 10
2.5159 10
2.5159 10
2.6896 18
2.6895 18
2.6895 18
10 O 3.264 8
2.516 9
2.5446 10
2.5446 10
3.1392 11
3.1007 18
3.062 12
3.2511 13
3.203 16
11 O 3.264 6
2.5475 12
2.4842 13
2.5927 14
3.1392 10
3.1697 15
3.0164 16
12 O 3.264 7
2.5475 11
2.5994 13
2.514 14
3.0667 16
2.8515 13
3.0679 18
3.0623 10
13 O 3.264 8
2.4842 11
2.5994 12
2.4899 14
2.7782 15
3.2077 17
2.8515 12
3.2513 10
2.9849 18
14 O 3.264 10
2.5927 11
2.514 12
2.4899 13
3.2467 16
2.8372 14
2.8372 14
3.1075 17
3.1118 18
3.1748 17
3.1197 18
15 O 3.264 6
2.7782 13
2.5889 16
2.5215 17
2.5082 18
2.866 16
3.1699 11
16 O 3.264 8
3.0667 12
3.2467 14
2.5889 15
2.5178 17
2.5084 18
2.866 15
3.0164 11
3.2029 10
17 O 3.264 8
3.2077 13
2.5215 15
2.5178 16
2.5537 18
2.7446 17
2.7446 17
3.175 14
3.1079 14
18 O 3.264 9
2.5082 15
2.5084 16
2.5537 17
2.6897 9
3.1011 10
2.9849 13
3.1196 14
3.068 12
3.112 14
X-ray diffraction powder data (II), X-Ray W.L. = 1.78892(angs.):
No H K L Theta 2*Theta S LPG MF F I int.
( degree ) *100
1 1 0 -2 6.301 12.601 0.061 163.09 6 159.4 198.2
2 1 0 4 7.903 15.806 0.077 102.84 6 246.3 298.4
3 0 0 6 8.248 16.497 0.08 94.23 2 198.8 59.4
4 1 1 0 9.851 19.702 0.096 65.41 6 198.0 122.7
5 1 1 3 10.691 21.383 0.104 55.21 12 37.8 7.6
6 2 0 2 11.728 23.456 0.114 45.52 6 104.0 23.5
7 1 0 -8 12.432 24.865 0.12 40.28 6 101.6 19.9
8 2 0 -4 12.679 25.358 0.123 38.65 6 278.7 143.6
9 1 1 6 12.902 25.804 0.125 37.26 12 85.7 26.2
10 1 0 10 14.993 29.987 0.145 27.07 6 344.3 153.5
11 2 1 1 15.215 30.429 0.147 26.23 12 112.6 31.8
12 2 1 -2 15.408 30.815 0.149 25.53 12 129.9 41.2
13 1 1 9 15.957 31.915 0.154 23.68 12 117.7 31.4
14 2 0 8 15.961 31.923 0.154 23.66 6 61.4 4.3
15 2 1 4 16.159 32.317 0.156 23.04 12 501.4 554.2
16 0 0 12 16.674 33.349 0.16 21.53 2 102.4 3.6
17 2 1 -5 16.702 33.404 0.161 21.45 12 51.0 5.3
18 3 0 0 17.238 34.475 0.166 20.03 6 303.4 88.2
19 2 0 -10 18.069 36.138 0.173 18.07 6 1062.9 976.2
20 2 1 7 18.08 36.16 0.173 18.04 12 19.2 0.6
21 2 1 -8 18.897 37.794 0.181 16.37 12 377.0 222.5
22 3 0 -6 19.223 38.445 0.184 15.76 6 181.6 24.9
23 3 0 6 19.223 38.445 0.184 15.76 6 254.1 48.7
24 1 1 12 19.516 39.032 0.187 15.24 12 222.9 72.4
25 2 2 0 20.01 40.02 0.191 14.42 6 955.2 629.3
26 1 0 -14 20.428 40.855 0.195 13.77 6 199.8 26.3
27 2 2 3 20.464 40.928 0.195 13.72 12 206.2 55.8
28 2 1 10 20.746 41.492 0.198 13.3 12 248.2 78.4
29 3 1 -1 20.913 41.827 0.2 13.07 12 155.6 30.2
30 3 1 2 21.06 42.12 0.201 12.86 12 67.0 5.5
31 3 1 -4 21.64 43.28 0.206 12.1 12 88.2 9.0
32 2 1 -11 21.764 43.528 0.207 11.95 12 124.8 17.8
33 2 2 6 21.78 43.559 0.207 11.93 12 281.5 90.4
34 3 1 5 22.067 44.133 0.21 11.58 12 195.1 42.2
35 2 0 14 22.874 45.747 0.217 10.68 6 126.3 8.2
36 3 1 -7 23.174 46.348 0.22 10.37 12 30.4 0.9
37 1 0 16 23.274 46.547 0.221 10.27 6 428.7 90.3
38 1 1 15 23.415 46.829 0.222 10.13 12 165.1 26.4
39 4 0 -2 23.453 46.906 0.222 10.09 6 121.3 7.1
40 2 2 9 23.843 47.685 0.226 9.72 12 62.5 3.6
41 3 1 8 23.846 47.691 0.226 9.72 12 64.5 3.9
42 2 1 13 23.961 47.921 0.227 9.62 12 114.0 11.9
43 4 0 4 23.987 47.974 0.227 9.59 6 400.2 73.5
44 3 0 -12 24.361 48.722 0.231 9.26 6 228.8 23.2
45 3 0 12 24.361 48.722 0.231 9.26 6 483.9 103.7
46 2 1 -14 25.131 50.262 0.237 8.63 12 206.4 35.2
47 3 1 -10 25.402 50.805 0.24 8.42 12 254.9 52.3
48 0 0 18 25.493 50.985 0.241 8.35 2 406.6 22.0
49 2 0 -16 25.504 51.008 0.241 8.34 6 104.9 4.4
50 3 2 1 25.546 51.091 0.241 8.31 12 165.3 21.7
51 3 2 -2 25.672 51.344 0.242 8.22 12 252.7 50.2
52 4 0 -8 26.039 52.078 0.245 7.96 6 468.1 83.4
53 3 2 4 26.172 52.343 0.247 7.87 12 214.4 34.6
54 3 1 11 26.279 52.559 0.247 7.79 12 118.9 10.5
55 2 2 12 26.523 53.047 0.25 7.63 12 266.4 51.8
56 3 2 -5 26.542 53.085 0.25 7.62 12 62.3 2.8
57 4 1 0 26.915 53.829 0.253 7.38 12 130.0 11.9
58 4 1 -3 27.278 54.556 0.256 7.16 12 149.2 15.2
59 4 1 3 27.278 54.556 0.256 7.16 12 20.5 0.3
60 4 0 10 27.505 55.011 0.258 7.02 6 807.2 218.9
61 3 2 7 27.513 55.027 0.258 7.02 12 60.4 2.5
62 1 1 18 27.591 55.182 0.259 6.97 12 63.2 2.7
63 2 1 16 27.601 55.203 0.259 6.97 12 50.6 1.7
64 3 2 -8 28.109 56.218 0.263 6.69 12 444.1 126.1
65 3 1 -13 28.211 56.422 0.264 6.63 12 42.1 1.1
66 4 1 -6 28.35 56.7 0.265 6.56 12 381.4 91.3
67 4 1 6 28.35 56.7 0.265 6.56 12 260.4 42.5
68 2 1 -17 28.898 57.796 0.27 6.28 12 27.2 0.4
69 1 0 -20 29.23 58.46 0.273 6.12 6 322.5 30.5
70 3 1 14 29.26 58.521 0.273 6.11 12 141.1 11.6
71 3 2 10 29.505 59.011 0.275 5.99 12 265.7 40.5
72 2 2 15 29.717 59.433 0.277 5.9 12 33.2 0.6
73 5 0 2 29.749 59.498 0.277 5.88 6 380.8 40.8
74 4 1 -9 30.08 60.16 0.28 5.74 12 136.1 10.2
75 4 1 9 30.08 60.16 0.28 5.74 12 251.9 34.8
76 5 0 -4 30.203 60.407 0.281 5.69 6 549.2 82.0
77 3 2 -11 30.301 60.603 0.282 5.65 12 102.0 5.6
78 3 3 0 30.882 61.764 0.287 5.41 6 364.9 34.5
79 2 0 20 31.159 62.319 0.289 5.31 6 1025.8 267.1
80 4 0 -14 31.189 62.377 0.289 5.3 6 59.4 0.9
81 3 3 3 31.216 62.431 0.29 5.29 12 42.5 0.9
82 3 0 -18 31.503 63.007 0.292 5.18 6 211.5 11.1
83 3 0 18 31.503 63.007 0.292 5.18 6 474.5 55.8
84 3 1 -16 31.513 63.026 0.292 5.18 12 243.4 29.3
85 4 2 -1 31.55 63.099 0.292 5.16 12 30.6 0.5
86 2 1 19 31.609 63.217 0.293 5.14 12 159.9 12.6
87 4 2 2 31.66 63.319 0.293 5.12 12 27.6 0.4
88 5 0 8 31.981 63.963 0.296 5.01 6 488.7 57.3
89 1 1 21 32.038 64.075 0.297 4.99 12 56.5 1.5
90 3 2 13 32.076 64.153 0.297 4.98 12 84.7 3.4
91 4 2 -4 32.098 64.196 0.297 4.97 12 235.3 26.3
92 3 3 6 32.205 64.409 0.298 4.94 12 138.5 9.1
93 1 0 22 32.36 64.72 0.299 4.89 6 101.6 2.4
94 4 1 -12 32.408 64.815 0.3 4.87 12 168.5 13.2
95 4 1 12 32.408 64.815 0.3 4.87 12 215.8 21.7
96 4 2 5 32.425 64.849 0.3 4.87 12 68.8 2.2
97 3 1 17 32.714 65.427 0.302 4.77 12 31.2 0.4
98 2 1 -20 33.023 66.045 0.305 4.68 12 171.6 13.2
99 3 2 -14 33.051 66.102 0.305 4.67 12 284.7 36.2
100 5 0 -10 33.28 66.56 0.307 4.6 6 224.7 11.1
101 4 2 -7 33.287 66.574 0.307 4.6 12 91.0 3.6
102 2 2 18 33.356 66.713 0.307 4.58 12 131.0 7.5
103 4 0 16 33.366 66.732 0.307 4.58 6 341.2 25.5
104 5 1 1 33.401 66.802 0.308 4.57 12 64.8 1.8
105 5 1 -2 33.508 67.016 0.309 4.54 12 95.0 3.9
106 3 3 9 33.818 67.636 0.311 4.45 12 241.5 24.8
107 4 2 8 33.82 67.641 0.311 4.45 12 231.9 22.9
108 5 1 4 33.934 67.867 0.312 4.42 12 270.2 30.8
109 2 0 -22 34.188 68.377 0.314 4.35 6 216.2 9.7
110 5 1 -5 34.251 68.502 0.315 4.33 12 107.6 4.8
111 0 0 24 35.02 70.04 0.321 4.14 2 67.7 0.3
112 4 2 -10 35.085 70.169 0.321 4.12 12 460.8 83.8
113 5 1 7 35.091 70.183 0.321 4.12 12 143.7 8.1
114 3 2 16 35.168 70.336 0.322 4.1 12 479.6 90.3
115 3 1 -19 35.259 70.517 0.323 4.08 12 61.7 1.5
116 4 1 -15 35.277 70.554 0.323 4.08 12 117.9 5.4
117 4 1 15 35.277 70.554 0.323 4.08 12 136.7 7.3
118 5 1 -8 35.612 71.224 0.326 4.0 12 307.0 36.1
119 4 2 11 35.813 71.625 0.327 3.96 12 60.1 1.4
120 2 1 22 35.972 71.943 0.328 3.93 12 335.9 42.4
121 3 3 12 36.017 72.034 0.329 3.92 12 231.7 20.1
122 3 2 -17 36.308 72.617 0.331 3.86 12 35.0 0.5
123 6 0 0 36.347 72.694 0.331 3.85 6 443.4 36.2
124 3 1 20 36.603 73.206 0.333 3.8 12 57.2 1.2
125 5 0 14 36.63 73.261 0.334 3.79 6 71.8 0.9
126 1 1 24 36.786 73.571 0.335 3.76 12 137.1 6.8
127 5 1 10 36.849 73.698 0.335 3.75 12 174.8 11.0
128 4 3 1 36.965 73.93 0.336 3.73 12 135.6 6.6
129 4 3 -2 37.067 74.134 0.337 3.71 12 68.0 1.6
130 2 2 21 37.419 74.838 0.34 3.64 12 35.6 0.4
131 4 2 -13 37.455 74.909 0.34 3.64 12 17.0 0.1
132 4 3 4 37.475 74.95 0.34 3.63 12 369.0 47.3
133 2 1 -23 37.509 75.019 0.34 3.63 12 19.7 0.1
134 5 1 -11 37.563 75.126 0.341 3.62 12 137.5 6.5
135 6 0 -6 37.574 75.149 0.341 3.62 6 87.7 1.3
136 6 0 6 37.574 75.149 0.341 3.62 6 93.2 1.5
137 4 3 -5 37.78 75.56 0.342 3.58 12 140.5 6.8
138 5 2 0 38.088 76.177 0.345 3.53 12 193.0 12.6
139 4 0 -20 38.34 76.681 0.347 3.49 6 412.3 28.4
140 4 2 14 38.367 76.734 0.347 3.48 12 58.8 1.2
141 5 2 -3 38.391 76.783 0.347 3.48 12 56.0 1.0
142 5 2 3 38.391 76.783 0.347 3.48 12 72.5 1.8
143 4 3 7 38.589 77.178 0.349 3.45 12 44.5 0.7
144 4 1 -18 38.654 77.308 0.349 3.44 12 277.0 25.3
145 4 1 18 38.654 77.308 0.349 3.44 12 82.9 2.3
146 5 0 -16 38.663 77.326 0.349 3.44 6 95.6 1.5
147 3 2 19 38.75 77.5 0.35 3.43 12 141.6 6.6
148 3 3 15 38.768 77.536 0.35 3.42 12 59.6 1.2
149 1 0 -26 39.012 78.024 0.352 3.39 6 117.1 2.2
150 4 3 -8 39.092 78.183 0.352 3.38 12 351.5 39.9
151 5 1 13 39.179 78.358 0.353 3.36 12 28.4 0.3
152 5 2 -6 39.297 78.594 0.354 3.35 12 178.1 10.2
153 5 2 6 39.297 78.594 0.354 3.35 12 374.9 45.0
154 3 1 -22 39.44 78.879 0.355 3.33 12 69.2 1.5
155 3 2 -20 40.053 80.105 0.36 3.25 12 343.5 36.7
156 5 1 -14 40.079 80.158 0.36 3.24 12 26.0 0.2
157 3 0 -24 40.23 80.46 0.361 3.23 6 119.7 2.2
158 3 0 24 40.23 80.46 0.361 3.23 6 162.0 4.0
159 4 3 10 40.292 80.583 0.361 3.22 12 150.8 7.0
160 4 2 -16 40.371 80.743 0.362 3.21 12 159.2 7.8
161 6 1 -1 40.404 80.809 0.362 3.21 12 207.7 13.2
162 6 1 2 40.504 81.008 0.363 3.19 12 78.8 1.9
163 2 0 26 40.717 81.433 0.365 3.17 6 212.0 6.8
164 2 1 25 40.723 81.447 0.365 3.17 12 37.2 0.4
165 5 2 -9 40.793 81.587 0.365 3.16 12 143.3 6.2
166 5 2 9 40.793 81.587 0.365 3.16 12 25.3 0.2
167 6 1 -4 40.901 81.803 0.366 3.15 12 111.6 3.7
168 3 1 23 40.935 81.87 0.366 3.15 12 64.7 1.3
169 4 3 -11 40.988 81.975 0.367 3.14 12 164.5 8.1
170 4 0 22 41.14 82.28 0.368 3.12 6 106.4 1.7
171 6 0 -12 41.184 82.368 0.368 3.12 6 91.4 1.2
172 6 0 12 41.184 82.368 0.368 3.12 6 107.6 1.7
173 6 1 5 41.199 82.398 0.368 3.12 12 126.7 4.8
174 4 2 17 41.464 82.927 0.37 3.09 12 96.9 2.8
175 1 1 27 41.904 83.807 0.373 3.05 12 96.3 2.7
176 2 2 24 41.923 83.847 0.373 3.05 12 205.9 12.4
177 6 1 -7 41.991 83.982 0.374 3.04 12 120.0 4.2
178 3 3 18 42.055 84.11 0.374 3.03 12 242.5 17.1
179 5 1 16 42.064 84.127 0.375 3.03 12 66.5 1.3
180 2 1 -26 42.406 84.812 0.377 3.0 12 312.6 28.1
181 6 1 8 42.485 84.969 0.378 3.0 12 111.0 3.5
182 4 1 -21 42.535 85.071 0.378 2.99 12 166.0 7.9
183 4 1 21 42.535 85.071 0.378 2.99 12 115.0 3.8
184 4 3 13 42.57 85.14 0.378 2.99 12 47.4 0.6
185 1 0 28 42.59 85.181 0.378 2.99 6 327.1 15.3
186 3 2 22 42.827 85.654 0.38 2.97 12 216.4 13.3
187 5 2 -12 42.87 85.741 0.38 2.96 12 147.9 6.2
188 5 2 12 42.87 85.741 0.38 2.96 12 206.4 12.1
189 5 1 -17 43.148 86.297 0.382 2.94 12 50.2 0.7
190 4 4 0 43.185 86.371 0.383 2.94 6 510.7 36.7
191 5 0 20 43.431 86.862 0.384 2.92 6 216.1 6.5
192 4 3 -14 43.457 86.914 0.384 2.92 12 100.2 2.8
193 4 4 3 43.481 86.961 0.385 2.92 12 128.7 4.6
194 6 1 -10 43.667 87.333 0.386 2.91 12 10.3 0.0
195 5 3 -1 43.778 87.556 0.387 2.9 12 322.2 28.8
196 4 2 -19 43.831 87.662 0.387 2.9 12 83.1 1.9
197 5 3 2 43.876 87.753 0.387 2.89 12 379.7 39.9
198 7 0 -2 43.876 87.753 0.387 2.89 6 116.4 1.9
199 3 1 -25 44.093 88.187 0.389 2.88 12 169.1 7.9
200 5 3 -4 44.27 88.539 0.39 2.87 12 78.6 1.7
201 7 0 4 44.27 88.539 0.39 2.87 6 236.3 7.7
202 2 0 -28 44.27 88.541 0.39 2.87 6 129.7 2.3
203 3 2 -23 44.303 88.606 0.39 2.87 12 115.4 3.7
204 6 1 11 44.355 88.71 0.391 2.86 12 60.2 1.0
205 4 4 6 44.366 88.732 0.391 2.86 12 131.9 4.8
206 5 3 5 44.565 89.129 0.392 2.85 12 101.5 2.8
X-ray diffraction powder data (I)...X-Ray wave length = 1.78892 (angs.):
No H K L Theta 2*Theta d I int I int.n. I p.h.n. H(Si)
( degree ) (angstrem) *100 *100
1 1 0 2 6.301 12.601 8.15026 198.2 20.3 20.7 5.6
2 1 0 4 7.903 15.806 6.50538 298.4 30.5 31.0 5.6
3 0 0 6 8.248 16.497 6.23467 59.4 6.1 6.2 5.6
4 1 1 0 9.851 19.702 5.228 122.7 12.6 12.7 5.6
5 2 0 2 11.728 23.456 4.40049 23.5 2.4 2.4 5.6
6 1 0 8 12.432 24.865 4.15475 19.9 2.0 2.1 5.6
7 2 0 4 12.679 25.358 4.07513 143.6 14.7 14.8 5.6
8 1 1 6 12.902 25.804 4.00599 26.2 2.7 2.7 5.6
9 1 0 10 14.993 29.987 3.45739 153.5 15.7 15.8 5.6
10 2 1 1 15.215 30.429 3.40829 31.8 3.3 3.3 5.6
11 2 1 2 15.408 30.815 3.36663 41.2 4.2 4.2 5.6
12 1 1 9 15.957 31.915 3.2535 35.6 3.6 3.7 5.6
13 2 1 4 16.159 32.317 3.21406 554.2 56.7 56.9 5.6
14 3 0 0 17.238 34.475 3.01839 88.2 9.0 9.0 5.7
15 2 0 10 18.069 36.138 2.88382 976.8 100.0 100.0 5.7
16 2 1 8 18.897 37.794 2.76178 222.5 22.8 22.7 5.7
17 3 0 6 19.223 38.445 2.71675 73.5 7.5 7.5 5.7
18 1 1 12 19.516 39.032 2.67748 72.4 7.4 7.4 5.7
19 2 2 0 20.01 40.02 2.614 629.3 64.4 64.2 5.7
20 1 0 14 20.428 40.855 2.56276 26.3 2.7 2.7 5.7
21 2 2 3 20.464 40.928 2.55839 55.8 5.7 5.7 5.7
22 2 1 10 20.746 41.492 2.52513 78.4 8.0 8.0 5.7
23 3 1 1 20.913 41.827 2.50581 30.2 3.1 3.1 5.7
24 2 2 6 21.78 43.559 2.41069 108.2 11.1 11.0 5.7
25 3 1 5 22.067 44.133 2.38089 42.2 4.3 4.3 5.7
26 1 0 16 23.274 46.547 2.26376 90.3 9.2 9.1 5.7
27 1 1 15 23.415 46.829 2.25089 26.4 2.7 2.7 5.7
28 4 0 4 23.987 47.974 2.20025 85.4 8.7 8.6 5.7
29 3 0 12 24.361 48.722 2.16846 126.9 13.0 12.8 5.7
30 2 1 14 25.131 50.262 2.10615 35.2 3.6 3.5 5.8
31 3 1 10 25.402 50.805 2.08512 52.3 5.4 5.3 5.8
32 0 0 18 25.493 50.985 2.07822 26.4 2.7 2.7 5.8
33 3 2 1 25.546 51.091 2.0742 21.7 2.2 2.2 5.8
34 3 2 2 25.672 51.344 2.0647 50.2 5.1 5.1 5.8
35 4 0 8 26.039 52.078 2.03757 83.4 8.5 8.4 5.8
36 3 2 4 26.172 52.343 2.02797 34.6 3.5 3.5 5.8
37 3 1 11 26.279 52.559 2.02025 10.5 1.1 1.1 5.8
38 2 2 12 26.523 53.047 2.003 54.6 5.6 5.5 5.8
39 4 1 0 26.915 53.829 1.976 11.9 1.2 1.2 5.8
40 4 1 3 27.278 54.556 1.95165 15.5 1.6 1.6 5.8
41 4 0 10 27.505 55.011 1.93676 221.4 22.7 22.2 5.8
42 3 2 8 28.109 56.218 1.89847 126.1 12.9 12.6 5.8
43 4 1 6 28.35 56.7 1.88366 133.8 13.7 13.4 5.8
44 1 0 20 29.23 58.46 1.83173 30.5 3.1 3.0 5.8
45 3 1 14 29.26 58.521 1.82999 11.6 1.2 1.2 5.8
46 3 2 10 29.505 59.011 1.81614 40.5 4.1 4.0 5.8
47 5 0 2 29.749 59.498 1.8026 40.8 4.2 4.1 5.8
48 4 1 9 30.08 60.16 1.78459 45.0 4.6 4.5 5.8
49 5 0 4 30.203 60.407 1.778 82.0 8.4 8.2 5.8
50 3 3 0 30.882 61.764 1.74267 34.5 3.5 3.4 5.8
51 2 0 20 31.159 62.319 1.7287 267.1 27.3 26.5 5.8
52 3 1 16 31.513 63.026 1.71125 96.2 9.8 9.5 5.9
53 2 1 19 31.609 63.217 1.70661 12.6 1.3 1.2 5.9
54 5 0 8 31.981 63.963 1.68879 57.3 5.9 5.7 5.9
55 4 2 4 32.098 64.196 1.68332 29.7 3.0 2.9 5.9
56 4 1 12 32.408 64.815 1.66895 37.1 3.8 3.7 5.9
57 3 2 14 33.051 66.102 1.64004 49.4 5.1 4.9 5.9
58 5 0 10 33.28 66.56 1.63005 14.8 1.5 1.5 5.9
59 4 0 16 33.366 66.732 1.62634 33.0 3.4 3.2 5.9
60 3 3 9 33.818 67.636 1.60713 47.7 4.9 4.7 5.9
61 5 1 4 33.934 67.867 1.60231 30.8 3.2 3.0 5.9
62 4 2 10 35.085 70.169 1.55617 91.9 9.4 9.0 5.9
63 3 2 16 35.168 70.336 1.55294 90.3 9.2 8.8 5.9
64 4 1 15 35.277 70.554 1.54876 14.2 1.5 1.4 5.9
65 5 1 8 35.612 71.224 1.5361 36.1 3.7 3.5 5.9
66 2 1 22 35.972 71.943 1.52279 42.4 4.3 4.1 5.9
67 3 3 12 36.017 72.034 1.52112 20.1 2.1 2.0 5.9
68 6 0 0 36.347 72.694 1.50919 36.2 3.7 3.5 6.0
69 5 1 10 36.849 73.698 1.49149 11.0 1.1 1.1 6.0
70 4 3 4 37.475 74.95 1.47015 47.3 4.8 4.6 6.0
71 5 2 0 38.088 76.177 1.44999 12.6 1.3 1.2 6.0
72 4 0 20 38.34 76.681 1.44191 29.5 3.0 2.9 6.0
73 4 1 18 38.654 77.308 1.43202 29.0 3.0 2.8 6.0
74 4 3 8 39.092 78.183 1.41851 39.9 4.1 3.8 6.0
75 5 2 6 39.297 78.594 1.4123 55.2 5.6 5.3 6.0
76 3 2 20 40.053 80.105 1.39001 36.9 3.8 3.5 6.0
77 6 1 1 40.404 80.809 1.37996 13.2 1.4 1.3 6.1
78 2 2 24 41.923 83.847 1.33874 15.1 1.5 1.4 6.1
79 3 3 18 42.055 84.11 1.33533 18.4 1.9 1.7 6.1
80 2 1 26 42.406 84.812 1.32634 28.1 2.9 2.7 6.1
81 4 1 21 42.535 85.071 1.32308 11.7 1.2 1.1 6.1
82 1 0 28 42.59 85.181 1.32169 15.3 1.6 1.4 6.1
83 3 2 22 42.827 85.654 1.3158 13.3 1.4 1.3 6.1
84 5 2 12 42.87 85.741 1.31472 18.3 1.9 1.7 6.1
85 4 4 0 43.185 86.371 1.307 36.7 3.8 3.5 6.1
86 5 3 1 43.778 87.556 1.29282 28.8 2.9 2.7 6.2
87 5 3 2 43.876 87.753 1.29051 41.8 4.3 3.9 6.2
88 2 0 28 44.27 88.541 1.28138 11.7 1.2 1.1 6.2
Reference:
Chichagov A.V. et al.
Information-Calculating System on Crystal Structure Data of Minerals
(MINCRYST)
- Kristallographiya, v.35, n.3, 1990, p.610-616 (in Russian)
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