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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LIPSCOMBITE
1, DN
(Fe''')(7)[Fe'''(0.5)Fe''(0.5)](18)[PO(4)](14)(OH)(24)
Tetragonal P 4(3)2(1)2 Z = 2
P4(3)2(1)2
12 .4 .1989
Ref.Str.:
E.N. Matvienko, O.V. Yakubovich, M.A. Simonov, N.B. Belov (1981)
*Zh. Strukt. Khim. (in russian), 22, 121-125
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 14.961 alpha = 90.0
b = 14.961 beta = 90.0
c = 12.74 gamma = 90.0
Unit cell volume (cub. angs.) = 2851.61
Molar volume ( cub.cm/mol.) = 858.82
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.3023 0.0684 0.995 0.6 Fe = 1.00
2 0.0563 0.6812 0.2599 0.2 Fe = 1.00
3 0.4355 0.9321 0.0 0.5 Fe = 1.00
4 0.3104 0.5673 0.004 0.2 Fe = 1.00
5 0.31 0.817 0.515 0.2 Fe = 0.5 , Fe = 0.0
6 0.3211 0.4439 0.257 0.6 Fe = 1.00
7 0.6842 0.6842 0.0 0.2 Fe = 1.00
8 0.186 0.186 0.0 0.8 Fe = 0.5 , Fe = 0.0
9 0.125 0.001 0.125 0.1 P = 0.5 , P = 0.0
10 0.001 0.375 0.375 0.7 P = 1.00
11 0.251 0.126 0.375 0.8 P = 1.00
12 0.376 0.251 0.125 0.8 P = 1.00
13 0.179 0.066 0.059 0.6 O = 1.00
14 0.417 0.055 0.532 1.4 O = 1.00
15 0.076 0.439 0.046 0.6 O = 1.00
16 0.436 0.188 0.192 1.9 O = 1.00
17 0.44 0.317 0.442 1.2 O = 1.00
18 0.439 0.309 0.056 0.5 O = 1.00
19 0.188 0.435 0.182 1.8 O = 1.00
20 0.181 0.066 0.425 0.9 O = 1.00
21 0.064 0.319 0.307 0.7 O = 1.00
22 0.316 0.072 0.309 1.0 O = 1.00
23 0.374 0.502 0.125 0.9 O = 1.00
24 0.251 0.377 0.375 0.9 O = 1.00
25 0.375 0.001 0.125 1.2 O = 1.00
26 0.127 0.251 0.126 0.6 O = 1.00
27 0.067 0.062 0.195 1.0 O = 1.00
28 0.439 0.434 0.309 1.9 O = 1.00
29 0.318 0.19 0.058 0.4 O = 1.00
30 0.191 0.19 0.309 0.3 O = 1.00
31 0.323 0.319 0.19 1.7 O = 1.00
32 0.314 0.188 0.44 0.3 O = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.3023 0.0684 0.995
2 2 0.0563 0.6812 0.2599
3 3 0.4355 0.9321 0.0
4 4 0.3104 0.5673 0.004
5 5 0.31 0.817 0.515
6 6 0.3211 0.4439 0.257
7 7 0.6842 0.6842 0.0
8 8 0.186 0.186 0.0
9 9 0.125 0.001 0.125
10 10 0.001 0.375 0.375
11 11 0.251 0.126 0.375
12 12 0.376 0.251 0.125
13 13 0.179 0.066 0.059
14 14 0.417 0.055 0.532
15 15 0.076 0.439 0.046
16 16 0.436 0.188 0.192
17 17 0.44 0.317 0.442
18 18 0.439 0.309 0.056
19 19 0.188 0.435 0.182
20 20 0.181 0.066 0.425
21 21 0.064 0.319 0.307
22 22 0.316 0.072 0.309
23 23 0.374 0.502 0.125
24 24 0.251 0.377 0.375
25 25 0.375 0.001 0.125
26 26 0.127 0.251 0.126
27 27 0.067 0.062 0.195
28 28 0.439 0.434 0.309
29 29 0.318 0.19 0.058
30 30 0.191 0.19 0.309
31 31 0.323 0.319 0.19
32 32 0.314 0.188 0.44
33 1 0.0684 0.3023 0.005
34 2 0.6812 0.0563 0.7401
35 3 0.9321 0.4355 0.0
36 4 0.5673 0.3104 0.996
37 5 0.817 0.31 0.485
38 6 0.4439 0.3211 0.743
39 9 0.001 0.125 0.875
40 10 0.375 0.001 0.625
41 11 0.126 0.251 0.625
42 12 0.251 0.376 0.875
43 13 0.066 0.179 0.941
44 14 0.055 0.417 0.468
45 15 0.439 0.076 0.954
46 16 0.188 0.436 0.808
47 17 0.317 0.44 0.558
48 18 0.309 0.439 0.944
49 19 0.435 0.188 0.818
50 20 0.066 0.181 0.575
51 21 0.319 0.064 0.693
52 22 0.072 0.316 0.691
53 23 0.502 0.374 0.875
54 24 0.377 0.251 0.625
55 25 0.001 0.375 0.875
56 26 0.251 0.127 0.874
57 27 0.062 0.067 0.805
58 28 0.434 0.439 0.691
59 29 0.19 0.318 0.942
60 30 0.19 0.191 0.691
61 31 0.319 0.323 0.81
62 32 0.188 0.314 0.56
63 1 0.4316 0.8023 0.745
64 1 0.6977 0.9316 0.495
65 1 0.5684 0.1977 0.245
66 2 0.8188 0.5563 0.0099
67 2 0.9437 0.3188 0.7599
68 2 0.1812 0.4437 0.5099
69 3 0.5679 0.9355 0.75
70 3 0.5645 0.0679 0.5
71 3 0.4321 0.0645 0.25
72 4 0.9327 0.8104 0.754
73 4 0.6896 0.4327 0.504
74 4 0.0673 0.1896 0.254
75 5 0.683 0.81 0.265
76 5 0.69 0.183 0.015
77 5 0.317 0.19 0.765
78 6 0.0561 0.8211 0.007
79 6 0.6789 0.5561 0.757
80 6 0.9439 0.1789 0.507
81 7 0.8158 0.1842 0.75
82 7 0.3158 0.3158 0.5
83 7 0.1842 0.8158 0.25
84 8 0.314 0.686 0.75
85 8 0.814 0.814 0.5
86 8 0.686 0.314 0.25
87 9 0.499 0.625 0.875
88 9 0.875 0.999 0.625
89 9 0.501 0.375 0.375
90 10 0.125 0.501 0.125
91 10 0.999 0.625 0.875
92 10 0.875 0.499 0.625
93 11 0.374 0.751 0.125
94 11 0.749 0.874 0.875
95 11 0.626 0.249 0.625
96 12 0.249 0.876 0.875
97 12 0.624 0.749 0.625
98 12 0.751 0.124 0.375
99 13 0.434 0.679 0.809
100 13 0.821 0.934 0.559
101 13 0.566 0.321 0.309
102 14 0.445 0.917 0.282
103 14 0.583 0.945 0.032
104 14 0.555 0.083 0.782
105 15 0.061 0.576 0.796
106 15 0.924 0.561 0.546
107 15 0.939 0.424 0.296
108 16 0.312 0.936 0.942
109 16 0.564 0.812 0.692
110 16 0.688 0.064 0.442
111 17 0.183 0.94 0.192
112 17 0.56 0.683 0.942
113 17 0.817 0.06 0.692
114 18 0.191 0.939 0.806
115 18 0.561 0.691 0.556
116 18 0.809 0.061 0.306
117 19 0.065 0.688 0.932
118 19 0.812 0.565 0.682
119 19 0.935 0.312 0.432
120 20 0.434 0.681 0.175
121 20 0.819 0.934 0.925
122 20 0.566 0.319 0.675
123 21 0.181 0.564 0.057
124 21 0.936 0.681 0.807
125 21 0.819 0.436 0.557
126 22 0.428 0.816 0.059
127 22 0.684 0.928 0.809
128 22 0.572 0.184 0.559
129 23 0.998 0.874 0.875
130 23 0.626 0.498 0.625
131 23 0.002 0.126 0.375
132 24 0.123 0.751 0.125
133 24 0.749 0.623 0.875
134 24 0.877 0.249 0.625
135 25 0.499 0.875 0.875
136 25 0.625 0.999 0.625
137 25 0.501 0.125 0.375
138 26 0.249 0.627 0.876
139 26 0.873 0.749 0.626
140 26 0.751 0.373 0.376
141 27 0.438 0.567 0.945
142 27 0.933 0.938 0.695
143 27 0.562 0.433 0.445
144 28 0.066 0.939 0.059
145 28 0.561 0.566 0.809
146 28 0.934 0.061 0.559
147 29 0.31 0.818 0.808
148 29 0.682 0.81 0.558
149 29 0.69 0.182 0.308
150 30 0.31 0.691 0.059
151 30 0.809 0.81 0.809
152 30 0.69 0.309 0.559
153 31 0.181 0.823 0.94
154 31 0.677 0.681 0.69
155 31 0.819 0.177 0.44
156 32 0.312 0.814 0.19
157 32 0.686 0.812 0.94
158 32 0.688 0.186 0.69
159 1 0.1977 0.5684 0.755
160 1 0.9316 0.6977 0.505
161 1 0.8023 0.4316 0.255
162 2 0.4437 0.1812 0.4901
163 2 0.3188 0.9437 0.2401
164 2 0.5563 0.8188 0.9901
165 3 0.0645 0.4321 0.75
166 3 0.0679 0.5645 0.5
167 3 0.9355 0.5679 0.25
168 4 0.1896 0.0673 0.746
169 4 0.4327 0.6896 0.496
170 4 0.8104 0.9327 0.246
171 5 0.19 0.317 0.235
172 5 0.183 0.69 0.985
173 5 0.81 0.683 0.735
174 6 0.1789 0.9439 0.493
175 6 0.5561 0.6789 0.243
176 6 0.8211 0.0561 0.993
177 9 0.375 0.501 0.625
178 9 0.999 0.875 0.375
179 9 0.625 0.499 0.125
180 10 0.499 0.875 0.375
181 10 0.625 0.999 0.125
182 10 0.501 0.125 0.875
183 11 0.249 0.626 0.375
184 11 0.874 0.749 0.125
185 11 0.751 0.374 0.875
186 12 0.124 0.751 0.625
187 12 0.749 0.624 0.375
188 12 0.876 0.249 0.125
189 13 0.321 0.566 0.691
190 13 0.934 0.821 0.441
191 13 0.679 0.434 0.191
192 14 0.083 0.555 0.218
193 14 0.945 0.583 0.968
194 14 0.917 0.445 0.718
195 15 0.424 0.939 0.704
196 15 0.561 0.924 0.454
197 15 0.576 0.061 0.204
198 16 0.064 0.688 0.558
199 16 0.812 0.564 0.308
200 16 0.936 0.312 0.058
201 17 0.06 0.817 0.308
202 17 0.683 0.56 0.058
203 17 0.94 0.183 0.808
204 18 0.061 0.809 0.694
205 18 0.691 0.561 0.444
206 18 0.939 0.191 0.194
207 19 0.312 0.935 0.568
208 19 0.565 0.812 0.318
209 19 0.688 0.065 0.068
210 20 0.319 0.566 0.325
211 20 0.934 0.819 0.075
212 20 0.681 0.434 0.825
213 21 0.436 0.819 0.443
214 21 0.681 0.936 0.193
215 21 0.564 0.181 0.943
216 22 0.184 0.572 0.441
217 22 0.928 0.684 0.191
218 22 0.816 0.428 0.941
219 23 0.126 0.002 0.625
220 23 0.498 0.626 0.375
221 23 0.874 0.998 0.125
222 24 0.249 0.877 0.375
223 24 0.623 0.749 0.125
224 24 0.751 0.123 0.875
225 25 0.125 0.501 0.625
226 25 0.999 0.625 0.375
227 25 0.875 0.499 0.125
228 26 0.373 0.751 0.624
229 26 0.749 0.873 0.374
230 26 0.627 0.249 0.124
231 27 0.433 0.562 0.555
232 27 0.938 0.933 0.305
233 27 0.567 0.438 0.055
234 28 0.061 0.934 0.441
235 28 0.566 0.561 0.191
236 28 0.939 0.066 0.941
237 29 0.182 0.69 0.692
238 29 0.81 0.682 0.442
239 29 0.818 0.31 0.192
240 30 0.309 0.69 0.441
241 30 0.81 0.809 0.191
242 30 0.691 0.31 0.941
243 31 0.177 0.819 0.56
244 31 0.681 0.677 0.31
245 31 0.823 0.181 0.06
246 32 0.186 0.688 0.31
247 32 0.812 0.686 0.06
248 32 0.814 0.312 0.81
X-ray density (g/cm cub.) = 3.62
MU (1/cm) = 169.905 Mass attenuation coefficient (cm**2/g) = 46.929
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Fe 2.592 6
2.0172 13
2.2232 25
2.0023 29
2.1139 15
1.9324 26
2.0978 16
2 Fe 2.592 6
2.245 24
2.0023 14
2.1228 17
2.1111 22
1.8953 25
2.0453 32
3 Fe 2.592 6
2.1019 25
2.2318 15
2.2524 14
1.9908 16
1.896 22
2.0417 25
4 Fe 2.592 6
2.0582 23
2.0662 18
2.0509 21
2.0738 26
2.0517 27
1.9789 30
5 Fe ,Fe 2.592 6
1.8904 19
2.0966 21
2.1954 24
1.9472 26
2.1211 30
2.071 31
6 Fe 2.592 6
2.2127 19
2.0518 23
2.0885 24
1.89 28
2.0546 31
2.022 20
7 Fe 2.592 6
1.9998 17
2.0771 24
2.0593 32
1.9998 17
2.0771 24
2.0593 32
8 Fe ,Fe 2.592 6
1.9491 13
2.074 26
2.1094 29
1.9491 13
2.074 26
2.1094 29
9 P ,P 2.232 4
1.5184 13
1.5431 27
1.5213 17
1.5319 28
10 P 2.232 4
1.53 21
1.5657 14
1.5527 15
1.5462 19
11 P 2.232 4
1.5193 20
1.5184 22
1.5587 30
1.5603 32
12 P 2.232 4
1.5565 16
1.5537 18
1.5213 29
1.5328 31
13 O 3.264 9
3.2018 25
2.9991 26
2.4111 27
2.7868 29
2.8242 13
2.7474 26
3.1566 16
2.5354 17
2.5433 28
14 O 3.264 9
3.2279 22
2.7763 32
2.5249 21
3.2188 24
3.0366 22
2.584 25
2.7972 15
3.0773 15
2.4293 19
15 O 3.264 8
2.4111 19
3.0874 26
2.631 25
2.8181 29
2.4464 21
2.7972 14
3.0773 14
2.8321 16
16 O 3.264 9
2.5062 18
2.9081 22
3.0641 25
2.456 29
2.5884 31
3.1566 13
2.6962 25
2.8321 15
3.1223 26
17 O 3.264 9
3.0871 24
2.4362 28
2.698 32
2.9928 17
2.7017 24
2.5354 13
3.1751 22
3.1325 25
2.5189 27
18 O 3.264 9
2.5062 16
3.1711 23
2.5392 29
2.439 31
3.0986 18
2.6742 23
3.0393 21
3.0769 26
2.7189 27
19 O 3.264 8
2.4111 15
2.9983 21
3.0456 23
2.7726 24
2.9866 26
2.6649 31
2.5044 21
2.4293 14
20 O 3.264 8
2.5043 22
2.3766 30
2.7069 32
3.0939 20
2.8954 23
2.8436 23
3.0718 24
2.6767 28
21 O 3.264 9
2.9983 19
3.0546 24
2.6909 26
2.7084 30
2.5249 14
2.4464 15
2.5044 19
3.1541 23
3.0393 18
22 O 3.264 10
3.2279 14
2.9081 16
2.5043 20
2.7208 25
2.5718 30
2.4079 32
3.0366 14
3.1751 17
2.9994 25
3.1973 24
23 O 3.264 12
3.1711 18
3.0456 19
2.7342 28
2.9604 31
2.6742 18
2.8954 20
3.1541 21
2.6686 27
3.1015 30
2.8436 20
3.1701 27
3.1205 28
24 O 3.264 12
3.0871 17
2.7726 19
3.0546 21
3.057 28
3.0561 30
2.7328 31
3.0935 32
3.2188 14
2.7017 17
2.7077 32
3.0718 20
3.1973 22
25 O 3.264 10
3.2018 13
3.0641 16
2.7208 22
3.0743 29
2.631 15
2.584 14
2.6962 16
3.1325 17
2.9994 22
3.0662 32
26 O 3.264 12
2.9991 13
3.0874 15
2.9866 19
2.6909 21
3.0942 27
3.1223 29
2.6805 30
3.2091 31
2.7474 13
2.7181 29
3.1223 16
3.0769 18
27 O 3.264 9
2.4111 13
3.0942 26
3.0362 30
2.5189 17
2.6686 23
2.5276 28
2.7189 18
3.1701 23
3.0681 27
28 O 3.264 9
2.4362 17
2.7342 23
3.057 24
2.8758 31
2.5433 13
2.5276 27
2.6767 20
3.1205 23
3.079 28
29 O 3.264 9
2.7868 13
2.456 16
2.5392 18
3.0743 25
3.1223 26
2.5609 31
2.8181 15
2.7181 26
3.0852 29
30 O 3.264 9
2.3766 20
2.7084 21
2.5718 22
3.0561 24
2.6805 26
3.0362 27
3.1501 31
2.4845 32
3.1015 23
31 O 3.264 9
2.5884 16
2.439 18
2.6649 19
2.9604 23
2.7328 24
3.2091 26
2.8758 28
2.5609 29
3.1501 30
32 O 3.264 9
2.7763 14
2.698 17
2.7069 20
2.4079 22
3.0935 24
2.4845 30
2.7077 24
3.0732 32
3.0662 25
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 1 0 4.85 9.7 0.047 276.79 4 183.0 455.8
2 1 0 1 5.291 10.582 0.052 232.22 8 22.8 11.9
3 1 1 1 6.31 12.619 0.061 162.62 8 72.7 84.6
4 2 0 0 6.867 13.735 0.067 136.92 4 64.8 28.2
5 2 1 0 7.683 15.365 0.075 108.96 8 13.2 1.9
6 2 0 1 7.97 15.941 0.078 101.07 8 7.0 0.5
7 2 1 1 8.685 17.37 0.084 84.78 16 15.8 4.1
8 1 0 2 8.779 17.557 0.085 82.93 8 10.2 0.9
9 1 1 2 9.434 18.868 0.092 71.52 8 13.4 1.3
10 2 2 0 9.736 19.471 0.095 67.02 4 179.4 106.1
11 2 2 1 10.55 21.1 0.102 56.75 8 301.9 508.9
12 2 0 2 10.628 21.256 0.103 55.89 8 19.2 2.0
13 3 1 0 10.898 21.796 0.106 53.05 8 68.7 24.7
14 3 0 1 11.105 22.21 0.108 51.01 8 31.2 4.9
15 2 1 2 11.179 22.358 0.108 50.31 16 44.1 19.2
16 3 1 1 11.635 23.27 0.113 46.29 16 100.0 91.1
17 3 2 0 12.448 24.897 0.12 40.17 8 11.5 0.5
18 1 0 3 12.647 25.294 0.122 38.86 8 26.9 2.8
19 2 2 2 12.697 25.395 0.123 38.53 8 154.2 90.1
20 3 2 1 13.103 26.207 0.127 36.06 16 40.6 11.7
21 1 1 3 13.118 26.237 0.127 35.97 8 97.0 33.3
22 3 0 2 13.167 26.334 0.127 35.69 8 18.4 1.2
23 3 1 2 13.621 27.242 0.132 33.22 16 98.0 62.8
24 4 0 0 13.836 27.672 0.134 32.13 4 87.6 12.1
25 2 0 3 14.016 28.033 0.135 31.26 8 65.5 13.2
26 4 1 0 14.271 28.542 0.138 30.09 8 46.2 6.3
27 4 0 1 14.432 28.865 0.139 29.37 8 196.4 111.5
28 2 1 3 14.446 28.892 0.139 29.31 16 26.5 4.1
29 3 3 0 14.694 29.387 0.142 28.27 4 45.5 2.9
30 4 1 1 14.851 29.702 0.143 27.63 16 38.4 8.0
31 3 2 2 14.908 29.815 0.144 27.41 16 54.6 16.1
32 3 3 1 15.259 30.519 0.147 26.07 8 16.9 0.7
33 4 2 0 15.508 31.016 0.149 25.18 8 0.6 0.0
34 2 2 3 15.671 31.341 0.151 24.62 8 950.2 2186.9
35 4 2 1 16.048 32.095 0.155 23.39 16 26.1 3.1
36 3 0 3 16.06 32.12 0.155 23.35 8 11.3 0.3
37 4 0 2 16.1 32.201 0.155 23.22 8 545.4 679.7
38 0 0 4 16.31 32.62 0.157 22.58 2 634.8 223.8
39 3 1 3 16.441 32.883 0.158 22.19 16 93.9 38.5
40 4 1 2 16.481 32.961 0.159 22.08 16 35.2 5.4
41 1 0 4 16.686 33.372 0.161 21.49 8 50.3 5.4
42 3 3 2 16.853 33.707 0.162 21.03 8 157.6 51.4
43 1 1 4 17.055 34.11 0.164 20.5 8 126.9 32.5
44 4 3 0 17.393 34.787 0.167 19.64 8 28.7 1.6
45 3 2 3 17.541 35.081 0.168 19.28 16 59.1 13.2
46 4 2 2 17.578 35.156 0.169 19.19 16 42.3 6.8
47 5 1 0 17.749 35.498 0.17 18.79 8 90.1 15.0
48 2 0 4 17.772 35.544 0.171 18.73 8 28.9 1.5
49 4 3 1 17.882 35.765 0.172 18.48 16 44.2 7.1
50 5 0 1 17.882 35.765 0.172 18.48 8 49.4 4.4
51 2 1 4 18.121 36.243 0.174 17.95 16 20.7 1.5
52 5 1 1 18.23 36.46 0.175 17.72 16 131.8 60.6
53 4 0 3 18.583 37.166 0.178 16.99 8 213.4 76.1
54 5 2 0 18.781 37.563 0.18 16.59 8 40.1 2.6
55 4 1 3 18.919 37.838 0.181 16.33 16 22.2 1.6
56 2 2 4 19.136 38.273 0.183 15.92 8 120.7 22.8
57 5 2 1 19.24 38.48 0.184 15.73 16 62.0 11.9
58 3 3 3 19.251 38.501 0.184 15.71 8 49.1 3.7
59 4 3 2 19.285 38.57 0.185 15.65 16 34.7 3.7
60 5 0 2 19.285 38.57 0.185 15.65 8 76.3 9.0
61 3 0 4 19.465 38.929 0.186 15.33 8 49.1 3.6
62 5 1 2 19.611 39.222 0.188 15.08 16 66.6 13.2
63 4 4 0 19.767 39.535 0.189 14.82 4 485.1 171.5
64 3 1 4 19.788 39.576 0.189 14.78 16 74.4 16.1
65 4 2 3 19.899 39.799 0.19 14.6 16 43.7 5.5
66 4 4 1 20.207 40.414 0.193 14.11 8 49.0 3.3
67 5 3 0 20.402 40.805 0.195 13.81 8 27.0 1.0
68 5 2 2 20.564 41.127 0.196 13.57 16 25.9 1.8
69 3 2 4 20.734 41.468 0.198 13.32 16 44.7 5.2
70 5 3 1 20.831 41.662 0.199 13.18 16 101.3 26.6
71 1 0 5 20.861 41.722 0.199 13.14 8 0.1 0.0
72 6 0 0 21.021 42.043 0.201 12.92 4 14.4 0.1
73 1 1 5 21.167 42.333 0.202 12.72 8 126.2 19.9
74 6 1 0 21.325 42.651 0.203 12.51 8 39.7 1.9
75 6 0 1 21.44 42.88 0.204 12.36 8 21.0 0.5
76 4 3 3 21.45 42.899 0.204 12.35 16 31.0 2.3
77 5 0 3 21.45 42.899 0.204 12.35 8 74.4 6.7
78 4 4 2 21.481 42.962 0.205 12.31 8 459.5 255.6
79 4 0 4 21.645 43.291 0.206 12.1 8 33.3 1.3
80 6 1 1 21.739 43.478 0.207 11.98 16 59.3 8.3
81 5 1 3 21.749 43.497 0.207 11.97 16 82.2 15.9
82 2 0 5 21.768 43.536 0.207 11.94 8 30.6 1.1
83 4 1 4 21.942 43.885 0.209 11.73 16 48.6 5.5
84 2 1 5 22.064 44.127 0.21 11.59 16 27.0 1.7
85 5 3 2 22.075 44.151 0.21 11.57 16 108.1 26.6
86 6 2 0 22.217 44.435 0.211 11.41 8 123.7 17.2
87 3 3 4 22.236 44.473 0.212 11.39 8 8.5 0.1
88 5 4 0 22.508 45.017 0.214 11.08 8 7.1 0.1
89 6 2 1 22.618 45.236 0.215 10.96 16 443.3 423.6
90 5 2 3 22.627 45.254 0.215 10.95 16 40.7 3.6
91 6 0 2 22.657 45.315 0.215 10.91 8 14.7 0.2
92 4 2 4 22.815 45.63 0.217 10.74 16 34.4 2.5
93 5 4 1 22.905 45.81 0.218 10.65 16 28.8 1.7
94 2 2 5 22.933 45.865 0.218 10.62 8 236.0 58.2
95 6 1 2 22.944 45.888 0.218 10.61 16 30.2 1.9
96 3 0 5 23.217 46.433 0.22 10.33 8 85.2 7.4
97 4 4 3 23.48 46.96 0.223 10.07 8 28.9 0.8
98 3 1 5 23.498 46.996 0.223 10.05 16 103.4 21.1
99 6 3 0 23.644 47.289 0.224 9.91 8 6.0 0.0
100 6 2 2 23.788 47.576 0.225 9.77 16 146.4 41.2
101 6 3 1 24.026 48.053 0.228 9.56 16 33.4 2.1
102 5 3 3 24.035 48.071 0.228 9.55 16 51.7 5.0
103 5 4 2 24.064 48.128 0.228 9.52 16 26.9 1.4
104 4 3 4 24.215 48.429 0.229 9.39 16 40.4 3.0
105 5 0 4 24.215 48.429 0.229 9.39 8 30.4 0.9
106 3 2 5 24.327 48.654 0.23 9.29 16 21.3 0.8
107 5 1 4 24.487 48.974 0.232 9.15 16 93.2 15.6
108 6 0 3 24.581 49.162 0.233 9.07 8 19.6 0.3
109 6 1 3 24.851 49.702 0.235 8.85 16 87.1 13.2
110 5 5 0 25.008 50.017 0.236 8.72 4 30.2 0.4
111 7 1 0 25.008 50.017 0.236 8.72 8 127.8 14.0
112 7 0 1 25.11 50.219 0.237 8.64 8 49.7 2.1
113 4 0 5 25.136 50.271 0.237 8.62 8 178.1 26.9
114 6 3 2 25.146 50.292 0.238 8.62 16 17.0 0.5
115 1 0 6 25.181 50.361 0.238 8.59 8 25.6 0.6
116 5 2 4 25.292 50.584 0.239 8.5 16 43.9 3.2
117 5 5 1 25.375 50.75 0.24 8.44 8 93.1 7.2
118 7 1 1 25.375 50.75 0.24 8.44 16 81.0 10.9
119 4 1 5 25.401 50.802 0.24 8.42 16 76.1 9.6
120 1 1 6 25.446 50.891 0.24 8.39 8 22.3 0.4
121 6 4 0 25.539 51.078 0.241 8.32 8 30.8 0.8
122 6 2 3 25.647 51.294 0.242 8.24 16 627.4 638.0
123 3 3 5 25.664 51.328 0.242 8.22 8 33.5 0.9
124 7 2 0 25.801 51.602 0.243 8.13 8 47.5 1.8
125 6 4 1 25.9 51.8 0.244 8.05 16 19.8 0.6
126 5 4 3 25.909 51.817 0.244 8.05 16 16.7 0.4
127 2 0 6 25.97 51.939 0.245 8.01 8 37.7 1.1
128 4 4 4 26.078 52.157 0.246 7.93 8 384.5 115.3
129 7 2 1 26.16 52.32 0.246 7.87 16 61.6 5.9
130 4 2 5 26.185 52.37 0.247 7.86 16 21.0 0.7
131 7 0 2 26.195 52.39 0.247 7.85 8 124.2 11.9
132 2 1 6 26.229 52.458 0.247 7.83 16 46.8 3.4
133 5 5 2 26.453 52.906 0.249 7.68 8 73.8 4.1
134 7 1 2 26.453 52.906 0.249 7.68 16 18.7 0.5
135 5 3 4 26.593 53.187 0.25 7.58 16 38.2 2.2
136 6 3 3 26.936 53.873 0.253 7.37 16 61.4 5.5
137 6 4 2 26.963 53.926 0.253 7.35 16 28.0 1.1
138 2 2 6 26.996 53.992 0.254 7.33 8 143.1 14.8
139 7 3 0 27.085 54.171 0.255 7.27 8 50.0 1.8
140 6 0 4 27.102 54.204 0.255 7.26 8 12.2 0.1
141 7 2 2 27.216 54.431 0.256 7.2 16 44.2 2.8
142 3 0 6 27.248 54.496 0.256 7.18 8 25.5 0.5
143 6 1 4 27.353 54.707 0.257 7.11 16 49.9 3.5
144 7 3 1 27.432 54.864 0.258 7.07 16 79.4 8.8
145 4 3 5 27.457 54.913 0.258 7.05 16 59.0 4.8
146 5 0 5 27.457 54.913 0.258 7.05 8 12.7 0.1
147 3 1 6 27.499 54.998 0.258 7.03 16 56.2 4.4
148 5 1 5 27.706 55.412 0.26 6.91 16 83.2 9.4
149 6 5 0 27.836 55.672 0.261 6.84 8 51.2 1.8
150 7 0 3 27.938 55.876 0.262 6.78 8 26.8 0.5
151 6 2 4 28.099 56.199 0.263 6.69 16 84.4 9.4
152 6 5 1 28.177 56.354 0.264 6.65 16 39.7 2.1
153 5 5 3 28.185 56.369 0.264 6.65 8 116.5 8.9
154 7 1 3 28.185 56.369 0.264 6.65 16 16.4 0.4
155 3 2 6 28.242 56.485 0.265 6.61 16 51.6 3.5
156 5 4 4 28.345 56.69 0.265 6.56 16 51.2 3.4
157 5 2 5 28.446 56.892 0.266 6.51 16 72.8 6.8
158 7 3 2 28.456 56.911 0.266 6.5 16 69.0 6.1
159 8 0 0 28.574 57.147 0.267 6.44 4 967.6 296.7
160 6 4 3 28.674 57.348 0.268 6.39 16 9.0 0.1
161 7 4 0 28.817 57.634 0.269 6.32 8 11.6 0.1
162 8 1 0 28.817 57.634 0.269 6.32 8 100.8 6.3
163 8 0 1 28.909 57.817 0.27 6.28 8 5.9 0.0
164 7 2 3 28.916 57.833 0.27 6.27 16 13.0 0.2
165 4 0 6 28.973 57.946 0.271 6.24 8 341.3 71.6
166 7 4 1 29.15 58.3 0.272 6.16 16 43.1 2.2
167 8 1 1 29.15 58.3 0.272 6.16 16 24.4 0.7
168 4 4 5 29.173 58.347 0.272 6.15 8 30.2 0.6
169 6 5 2 29.183 58.366 0.273 6.14 16 34.4 1.4
170 4 1 6 29.214 58.428 0.273 6.13 16 65.9 5.2
171 6 3 4 29.315 58.63 0.274 6.08 16 36.1 1.6
172 3 3 6 29.454 58.908 0.275 6.02 8 106.0 6.7
173 8 2 0 29.539 59.077 0.276 5.98 8 26.6 0.4
174 5 3 5 29.652 59.304 0.277 5.93 16 32.1 1.2
175 1 0 7 29.675 59.351 0.277 5.92 8 32.8 0.6
176 8 2 1 29.867 59.733 0.278 5.83 16 33.6 1.3
177 8 0 2 29.899 59.798 0.279 5.82 8 7.2 0.0
178 1 1 7 29.913 59.826 0.279 5.81 8 43.7 1.1
179 4 2 6 29.93 59.86 0.279 5.8 16 67.1 5.1
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 1 0 4.85 9.7 10.57903 455.8 20.8 21.2 5.6
2 1 1 1 6.31 12.619 8.13885 84.6 3.9 3.9 5.6
3 2 0 0 6.867 13.735 7.4805 28.2 1.3 1.3 5.6
4 2 2 0 9.736 19.471 5.28951 106.1 4.9 4.9 5.6
5 2 2 1 10.55 21.1 4.88518 508.9 23.3 23.5 5.6
6 3 1 0 10.898 21.796 4.73108 24.7 1.1 1.1 5.6
7 3 1 1 11.635 23.27 4.43514 91.1 4.2 4.2 5.6
8 2 2 2 12.697 25.395 4.06942 90.1 4.1 4.1 5.6
9 1 1 3 13.118 26.237 3.94099 45.0 2.1 2.1 5.6
10 3 1 2 13.621 27.242 3.79811 62.8 2.9 2.9 5.6
11 4 0 1 14.432 28.865 3.58879 115.6 5.3 5.3 5.6
12 2 2 3 15.671 31.341 3.31149 2186.9 100.0 100.0 5.6
13 4 0 2 16.1 32.201 3.22535 679.7 31.1 31.1 5.6
14 0 0 4 16.31 32.62 3.185 223.8 10.2 10.2 5.6
15 3 1 3 16.441 32.883 3.16028 38.5 1.8 1.8 5.6
16 3 3 2 16.853 33.707 3.08515 51.4 2.3 2.3 5.7
17 1 1 4 17.055 34.11 3.04978 32.5 1.5 1.5 5.7
18 5 1 1 18.23 36.46 2.85925 60.6 2.8 2.8 5.7
19 4 0 3 18.583 37.166 2.80681 76.1 3.5 3.5 5.7
20 2 2 4 19.136 38.273 2.72854 22.8 1.0 1.0 5.7
21 4 4 0 19.767 39.535 2.64476 187.6 8.6 8.5 5.7
22 5 3 1 20.831 41.662 2.51529 26.6 1.2 1.2 5.7
23 4 4 2 21.481 42.962 2.44259 255.6 11.7 11.6 5.7
24 5 1 3 21.749 43.497 2.41396 25.3 1.2 1.1 5.7
25 5 3 2 22.075 44.151 2.37998 28.3 1.3 1.3 5.7
26 6 2 1 22.618 45.236 2.32579 427.2 19.5 19.3 5.7
27 2 2 5 22.933 45.865 2.29555 61.9 2.8 2.8 5.7
28 6 2 2 23.788 47.576 2.21757 41.2 1.9 1.9 5.7
29 4 0 5 25.136 50.271 2.1058 29.0 1.3 1.3 5.8
30 4 1 5 25.401 50.802 2.08524 27.7 1.3 1.2 5.8
31 6 2 3 25.647 51.294 2.06656 638.9 29.2 28.6 5.8
32 4 4 4 26.078 52.157 2.03471 115.3 5.3 5.2 5.8
33 8 0 0 28.574 57.147 1.87013 296.7 13.6 13.2 5.8
34 4 0 6 28.973 57.946 1.84653 71.6 3.3 3.2 5.8
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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