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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HSIANGHUALITE
1
Li(2)Ca(3)F(2)[BeSiO(4)](3)
Cubic I 2(1)3 Z = 8
R =0.026 NR =314
22 .12 .1993
Ref.Str.:
Rastsvetaeva R.K., Rekhlova O.Yu., Andrianov V.I.,
Malinovskii Yu.A. (1991)
* Dokl. Akad. Nauk SSSR, 316, 3, 624-628
Reserv:
T.V.Ush.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 12.864 alpha = 90.0
b = 12.864 beta = 90.0
c = 12.864 gamma = 90.0
Unit cell volume (cub. angs.) = 2128.77
Molar volume ( cub.cm/mol.) = 160.28
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.1239 0.1553 0.4203 1.67 Si = 1.00
2 0.3708 0.3296 0.0935 1.9 Be = 1.00
3 0.0863 0.0 0.25 1.83 Ca = 1.00
4 0.5 0.25 0.3445 1.89 Ca = 1.00
5 0.4769 0.4769 0.4769 1.9 Li = 1.00
6 0.2296 0.2296 0.2296 2.6 Li = 1.00
7 0.1034 0.3934 0.0121 1.81 O = 1.00
8 0.0674 0.3824 0.2077 1.78 O = 1.00
9 0.3584 0.1495 0.262 1.86 O = 1.00
10 0.367 0.1824 0.4573 1.9 O = 1.00
11 0.3954 0.3954 0.3954 2.2 F = 1.00
12 0.1454 0.1454 0.1454 2.1 F = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.1239 0.1553 0.4203
2 2 0.3708 0.3296 0.0935
3 3 0.0863 0.0 0.25
4 4 0.5 0.25 0.3445
5 5 0.4769 0.4769 0.4769
6 6 0.2296 0.2296 0.2296
7 7 0.1034 0.3934 0.0121
8 8 0.0674 0.3824 0.2077
9 9 0.3584 0.1495 0.262
10 10 0.367 0.1824 0.4573
11 11 0.3954 0.3954 0.3954
12 12 0.1454 0.1454 0.1454
13 1 0.8761 0.3447 0.4203
14 2 0.6292 0.1704 0.0935
15 3 0.9137 0.5 0.25
16 5 0.5231 0.0231 0.4769
17 6 0.7704 0.2704 0.2296
18 7 0.8966 0.1066 0.0121
19 8 0.9326 0.1176 0.2077
20 9 0.6416 0.3505 0.262
21 10 0.633 0.3176 0.4573
22 11 0.6046 0.1046 0.3954
23 12 0.8546 0.3546 0.1454
24 1 0.3761 0.8447 0.9203
25 2 0.1292 0.6704 0.5935
26 3 0.4137 0.0 0.75
27 4 0.0 0.75 0.8445
28 5 0.0231 0.5231 0.9769
29 6 0.2704 0.7704 0.7296
30 7 0.3966 0.6066 0.5121
31 8 0.4326 0.6176 0.7077
32 9 0.1416 0.8505 0.762
33 10 0.133 0.8176 0.9573
34 11 0.1046 0.6046 0.8954
35 12 0.3546 0.8546 0.6454
36 1 0.6239 0.6553 0.9203
37 2 0.8708 0.8296 0.5935
38 3 0.5863 0.5 0.75
39 5 0.9769 0.9769 0.9769
40 6 0.7296 0.7296 0.7296
41 7 0.6034 0.8934 0.5121
42 8 0.5674 0.8824 0.7077
43 9 0.8584 0.6495 0.762
44 10 0.867 0.6824 0.9573
45 11 0.8954 0.8954 0.8954
46 12 0.6454 0.6454 0.6454
47 1 0.8761 0.6553 0.0797
48 2 0.6292 0.8296 0.4065
49 4 0.5 0.75 0.1555
50 5 0.5231 0.9769 0.0231
51 6 0.7704 0.7296 0.2704
52 7 0.8966 0.8934 0.4879
53 8 0.9326 0.8824 0.2923
54 9 0.6416 0.6495 0.238
55 10 0.633 0.6824 0.0427
56 11 0.6046 0.8954 0.1046
57 12 0.8546 0.6454 0.3546
58 1 0.1239 0.8447 0.0797
59 2 0.3708 0.6704 0.4065
60 5 0.4769 0.5231 0.0231
61 6 0.2296 0.7704 0.2704
62 7 0.1034 0.6066 0.4879
63 8 0.0674 0.6176 0.2923
64 9 0.3584 0.8505 0.238
65 10 0.367 0.8176 0.0427
66 11 0.3954 0.6046 0.1046
67 12 0.1454 0.8546 0.3546
68 1 0.6239 0.3447 0.5797
69 2 0.8708 0.1704 0.9065
70 4 0.0 0.25 0.6555
71 5 0.9769 0.0231 0.5231
72 6 0.7296 0.2704 0.7704
73 7 0.6034 0.1066 0.9879
74 8 0.5674 0.1176 0.7923
75 9 0.8584 0.3505 0.738
76 10 0.867 0.3176 0.5427
77 11 0.8954 0.1046 0.6046
78 12 0.6454 0.3546 0.8546
79 1 0.3761 0.1553 0.5797
80 2 0.1292 0.3296 0.9065
81 5 0.0231 0.4769 0.5231
82 6 0.2704 0.2296 0.7704
83 7 0.3966 0.3934 0.9879
84 8 0.4326 0.3824 0.7923
85 9 0.1416 0.1495 0.738
86 10 0.133 0.1824 0.5427
87 11 0.1046 0.3954 0.6046
88 12 0.3546 0.1454 0.8546
89 1 0.1553 0.4203 0.1239
90 1 0.4203 0.1239 0.1553
91 2 0.3296 0.0935 0.3708
92 2 0.0935 0.3708 0.3296
93 3 0.0 0.25 0.0863
94 3 0.25 0.0863 0.0
95 4 0.25 0.3445 0.5
96 4 0.3445 0.5 0.25
97 7 0.3934 0.0121 0.1034
98 7 0.0121 0.1034 0.3934
99 8 0.3824 0.2077 0.0674
100 8 0.2077 0.0674 0.3824
101 9 0.1495 0.262 0.3584
102 9 0.262 0.3584 0.1495
103 10 0.1824 0.4573 0.367
104 10 0.4573 0.367 0.1824
105 1 0.3447 0.4203 0.8761
106 1 0.4203 0.8761 0.3447
107 2 0.1704 0.0935 0.6292
108 2 0.0935 0.6292 0.1704
109 3 0.5 0.25 0.9137
110 3 0.25 0.9137 0.5
111 7 0.1066 0.0121 0.8966
112 7 0.0121 0.8966 0.1066
113 8 0.1176 0.2077 0.9326
114 8 0.2077 0.9326 0.1176
115 9 0.3505 0.262 0.6416
116 9 0.262 0.6416 0.3505
117 10 0.3176 0.4573 0.633
118 10 0.4573 0.633 0.3176
119 1 0.8447 0.9203 0.3761
120 1 0.9203 0.3761 0.8447
121 2 0.6704 0.5935 0.1292
122 2 0.5935 0.1292 0.6704
123 3 0.0 0.75 0.4137
124 3 0.75 0.4137 0.0
125 4 0.75 0.8445 0.0
126 4 0.8445 0.0 0.75
127 7 0.6066 0.5121 0.3966
128 7 0.5121 0.3966 0.6066
129 8 0.6176 0.7077 0.4326
130 8 0.7077 0.4326 0.6176
131 9 0.8505 0.762 0.1416
132 9 0.762 0.1416 0.8505
133 10 0.8176 0.9573 0.133
134 10 0.9573 0.133 0.8176
135 1 0.6553 0.9203 0.6239
136 1 0.9203 0.6239 0.6553
137 2 0.8296 0.5935 0.8708
138 2 0.5935 0.8708 0.8296
139 3 0.5 0.75 0.5863
140 3 0.75 0.5863 0.5
141 7 0.8934 0.5121 0.6034
142 7 0.5121 0.6034 0.8934
143 8 0.8824 0.7077 0.5674
144 8 0.7077 0.5674 0.8824
145 9 0.6495 0.762 0.8584
146 9 0.762 0.8584 0.6495
147 10 0.6824 0.9573 0.867
148 10 0.9573 0.867 0.6824
149 1 0.6553 0.0797 0.8761
150 1 0.0797 0.8761 0.6553
151 2 0.8296 0.4065 0.6292
152 2 0.4065 0.6292 0.8296
153 4 0.75 0.1555 0.5
154 4 0.1555 0.5 0.75
155 7 0.8934 0.4879 0.8966
156 7 0.4879 0.8966 0.8934
157 8 0.8824 0.2923 0.9326
158 8 0.2923 0.9326 0.8824
159 9 0.6495 0.238 0.6416
160 9 0.238 0.6416 0.6495
161 10 0.6824 0.0427 0.633
162 10 0.0427 0.633 0.6824
163 1 0.8447 0.0797 0.1239
164 1 0.0797 0.1239 0.8447
165 2 0.6704 0.4065 0.3708
166 2 0.4065 0.3708 0.6704
167 7 0.6066 0.4879 0.1034
168 7 0.4879 0.1034 0.6066
169 8 0.6176 0.2923 0.0674
170 8 0.2923 0.0674 0.6176
171 9 0.8505 0.238 0.3584
172 9 0.238 0.3584 0.8505
173 10 0.8176 0.0427 0.367
174 10 0.0427 0.367 0.8176
175 1 0.3447 0.5797 0.6239
176 1 0.5797 0.6239 0.3447
177 2 0.1704 0.9065 0.8708
178 2 0.9065 0.8708 0.1704
179 4 0.25 0.6555 0.0
180 4 0.6555 0.0 0.25
181 7 0.1066 0.9879 0.6034
182 7 0.9879 0.6034 0.1066
183 8 0.1176 0.7923 0.5674
184 8 0.7923 0.5674 0.1176
185 9 0.3505 0.738 0.8584
186 9 0.738 0.8584 0.3505
187 10 0.3176 0.5427 0.867
188 10 0.5427 0.867 0.3176
189 1 0.1553 0.5797 0.3761
190 1 0.5797 0.3761 0.1553
191 2 0.3296 0.9065 0.1292
192 2 0.9065 0.1292 0.3296
193 7 0.3934 0.9879 0.3966
194 7 0.9879 0.3966 0.3934
195 8 0.3824 0.7923 0.4326
196 8 0.7923 0.4326 0.3824
197 9 0.1495 0.738 0.1416
198 9 0.738 0.1416 0.1495
199 10 0.1824 0.5427 0.133
200 10 0.5427 0.133 0.1824
X-ray density (g/cm cub.) = 2.97
MU (1/cm) = 171.345 Mass attenuation coefficient (cm**2/g) = 57.775
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Si 2.1 4
1.6169 10
1.6229 7
1.6366 8
1.6207 9
2 Be 2.04 4
1.6214 7
1.6106 8
1.6171 9
1.6666 10
3 Ca 2.88 8
2.4263 12
2.5483 8
2.5483 8
2.4263 12
2.4664 7
2.4681 8
2.4664 7
2.4681 8
4 Ca 2.88 8
2.473 9
2.406 10
2.3954 11
2.473 9
2.406 10
2.3954 11
2.6297 10
2.6297 10
5 Li 2.448 4
1.8159 11
2.0139 7
2.0139 7
2.0139 7
6 Li 2.448 4
1.9952 9
1.8761 12
1.9952 9
1.9952 9
7 O 3.264 7
2.5624 8
3.1041 11
2.7367 9
2.605 8
2.7427 9
2.643 10
2.6721 10
8 O 3.264 8
2.5624 7
2.8747 12
3.2154 8
2.6968 9
2.6311 9
2.7049 10
2.605 7
2.7137 10
9 O 3.264 8
2.5501 10
3.1242 12
2.7367 7
2.6311 8
2.6968 8
3.2397 10
2.7427 7
2.5912 10
10 O 3.264 9
2.5501 9
2.8767 11
3.2044 10
2.7049 8
3.2397 9
2.5912 9
2.6721 7
2.7137 8
2.643 7
11 F 3.228 6
2.8767 10
3.1041 7
2.8767 10
2.8767 10
3.1041 7
3.1041 7
12 F 3.228 6
3.1242 9
2.8747 8
3.1242 9
3.1242 9
2.8747 8
2.8747 8
X-ray diffraction powder data (II), X-Ray W.L. = 1.54056(angs.):
No H K L Theta 2*Theta S LPG MF F I int.
( degree ) *100
1 1 1 0 4.858 9.715 0.055 275.92 12 1.9 0.3
2 2 0 0 6.878 13.756 0.078 136.49 6 18.6 6.3
3 1 1 2 8.434 16.868 0.095 90.03 24 54.1 139.5
4 2 2 0 9.751 19.502 0.11 66.81 12 123.3 269.1
5 1 3 0 10.915 21.83 0.123 52.88 12 70.9 70.5
6 3 1 0 10.915 21.83 0.123 52.88 12 62.4 54.6
7 2 2 2 11.972 23.943 0.135 43.6 8 161.5 200.8
8 1 2 3 12.947 25.894 0.145 36.98 24 118.2 273.7
9 3 2 1 12.947 25.894 0.145 36.98 24 119.7 280.7
10 4 0 0 13.858 27.716 0.155 32.02 6 267.0 302.2
11 1 1 4 14.717 29.434 0.165 28.17 24 17.0 4.3
12 3 3 0 14.717 29.434 0.165 28.17 12 99.6 74.0
13 2 4 0 15.533 31.065 0.174 25.09 12 85.6 48.6
14 4 2 0 15.533 31.065 0.174 25.09 12 102.0 69.2
15 3 3 2 16.311 32.623 0.182 22.58 24 286.4 981.0
16 2 2 4 17.058 34.117 0.19 20.49 24 162.5 286.6
17 1 3 4 17.778 35.555 0.198 18.72 24 30.4 9.2
18 1 5 0 17.778 35.555 0.198 18.72 12 61.1 18.5
19 4 3 1 17.778 35.555 0.198 18.72 24 80.7 64.5
20 5 1 0 17.778 35.555 0.198 18.72 12 39.4 7.7
21 1 2 5 19.146 38.291 0.213 15.9 24 112.0 105.7
22 5 2 1 19.146 38.291 0.213 15.9 24 137.2 158.5
23 4 4 0 19.799 39.598 0.22 14.76 12 78.3 24.0
24 3 3 4 20.435 40.871 0.227 13.76 24 36.3 9.6
25 3 5 0 20.435 40.871 0.227 13.76 12 250.5 228.7
26 5 3 0 20.435 40.871 0.227 13.76 12 316.1 364.2
27 4 4 2 21.056 42.111 0.233 12.87 24 38.4 10.0
28 6 0 0 21.056 42.111 0.233 12.87 6 9.3 0.1
29 1 1 6 21.661 43.322 0.24 12.08 24 44.9 12.9
30 2 3 5 21.661 43.322 0.24 12.08 24 184.0 216.6
31 5 3 2 21.661 43.322 0.24 12.08 24 181.7 211.1
32 2 6 0 22.254 44.507 0.246 11.37 12 72.0 15.6
33 6 2 0 22.254 44.507 0.246 11.37 12 90.2 24.5
34 1 4 5 22.834 45.667 0.252 10.72 24 26.1 3.9
35 5 4 1 22.834 45.667 0.252 10.72 24 53.5 16.3
36 2 2 6 23.403 46.805 0.258 10.14 24 52.5 14.8
37 1 3 6 23.961 47.922 0.264 9.61 24 110.3 62.0
38 6 3 1 23.961 47.922 0.264 9.61 24 67.4 23.1
39 4 4 4 24.51 49.02 0.269 9.13 8 129.0 26.8
40 1 7 0 25.05 50.1 0.275 8.69 12 9.4 0.2
41 3 4 5 25.05 50.1 0.275 8.69 24 105.2 51.0
42 5 4 3 25.05 50.1 0.275 8.69 24 107.2 52.9
43 5 5 0 25.05 50.1 0.275 8.69 12 54.7 6.9
44 7 1 0 25.05 50.1 0.275 8.69 12 128.8 38.2
45 4 6 0 25.581 51.163 0.28 8.29 12 210.5 97.2
46 6 4 0 25.581 51.163 0.28 8.29 12 223.5 109.6
47 1 2 7 26.105 52.21 0.286 7.91 24 124.3 64.7
48 3 3 6 26.105 52.21 0.286 7.91 24 132.9 74.0
49 5 5 2 26.105 52.21 0.286 7.91 24 182.6 139.7
50 7 2 1 26.105 52.21 0.286 7.91 24 104.2 45.5
51 2 4 6 26.621 53.243 0.291 7.57 24 60.1 14.5
52 6 4 2 26.621 53.243 0.291 7.57 24 41.7 7.0
53 3 7 0 27.131 54.262 0.296 7.25 12 227.0 98.9
54 7 3 0 27.131 54.262 0.296 7.25 12 94.5 17.2
55 1 5 6 28.131 56.262 0.306 6.67 24 79.2 22.2
56 2 3 7 28.131 56.262 0.306 6.67 24 37.0 4.8
57 6 5 1 28.131 56.262 0.306 6.67 24 37.1 4.9
58 7 3 2 28.131 56.262 0.306 6.67 24 59.5 12.5
59 8 0 0 28.622 57.244 0.311 6.42 6 282.2 67.7
60 1 1 8 29.108 58.216 0.316 6.18 24 42.1 5.8
61 1 4 7 29.108 58.216 0.316 6.18 24 60.1 11.8
62 5 5 4 29.108 58.216 0.316 6.18 24 61.7 12.4
63 7 4 1 29.108 58.216 0.316 6.18 24 143.4 67.3
64 2 8 0 29.589 59.178 0.321 5.95 12 204.2 65.7
65 4 4 6 29.589 59.178 0.321 5.95 24 34.1 3.7
66 8 2 0 29.589 59.178 0.321 5.95 12 176.6 49.2
67 3 5 6 30.065 60.13 0.325 5.75 24 61.7 11.6
68 6 5 3 30.065 60.13 0.325 5.75 24 54.7 9.1
69 2 2 8 30.537 61.073 0.33 5.55 24 71.9 15.2
70 6 6 0 30.537 61.073 0.33 5.55 12 124.1 22.6
71 1 3 8 31.004 62.008 0.334 5.37 24 50.7 7.3
72 3 4 7 31.004 62.008 0.334 5.37 24 66.2 12.5
73 5 7 0 31.004 62.008 0.334 5.37 12 187.4 49.9
74 7 4 3 31.004 62.008 0.334 5.37 24 35.8 3.6
75 7 5 0 31.004 62.008 0.334 5.37 12 111.2 17.6
76 8 3 1 31.004 62.008 0.334 5.37 24 25.7 1.9
77 6 6 2 31.467 62.934 0.339 5.19 24 7.5 0.2
78 2 5 7 31.927 63.854 0.343 5.03 24 74.1 14.6
79 7 5 2 31.927 63.854 0.343 5.03 24 51.5 7.1
80 4 8 0 32.383 64.765 0.348 4.88 12 0.7 0.0
81 8 4 0 32.383 64.765 0.348 4.88 12 10.9 0.2
82 1 9 0 32.835 65.67 0.352 4.74 12 16.7 0.3
83 3 3 8 32.835 65.67 0.352 4.74 24 15.6 0.6
84 9 1 0 32.835 65.67 0.352 4.74 12 46.6 2.7
85 2 4 8 33.285 66.569 0.356 4.6 24 65.6 10.5
86 8 4 2 33.285 66.569 0.356 4.6 24 85.4 17.8
87 1 2 9 33.731 67.462 0.36 4.47 24 74.3 13.1
88 1 6 7 33.731 67.462 0.36 4.47 24 70.3 11.7
89 5 5 6 33.731 67.462 0.36 4.47 24 69.5 11.4
90 7 6 1 33.731 67.462 0.36 4.47 24 70.2 11.7
91 9 2 1 33.731 67.462 0.36 4.47 24 38.8 3.6
92 6 6 4 34.174 68.349 0.365 4.35 24 153.1 54.0
93 1 5 8 34.615 69.23 0.369 4.24 24 48.3 5.2
94 3 9 0 34.615 69.23 0.369 4.24 12 52.0 3.0
95 4 5 7 34.615 69.23 0.369 4.24 24 92.2 19.1
96 7 5 4 34.615 69.23 0.369 4.24 24 90.8 18.5
97 8 5 1 34.615 69.23 0.369 4.24 24 129.9 37.9
98 9 3 0 34.615 69.23 0.369 4.24 12 82.7 7.7
99 2 3 9 35.489 70.978 0.377 4.03 24 151.5 49.0
100 3 6 7 35.489 70.978 0.377 4.03 24 85.7 15.7
101 7 6 3 35.489 70.978 0.377 4.03 24 50.6 5.5
102 9 3 2 35.489 70.978 0.377 4.03 24 127.9 34.9
103 4 4 8 35.922 71.845 0.381 3.94 24 72.7 11.0
104 1 4 9 36.354 72.708 0.385 3.85 24 36.7 2.7
105 3 5 8 36.354 72.708 0.385 3.85 24 87.0 15.4
106 7 7 0 36.354 72.708 0.385 3.85 12 0.6 0.0
107 8 5 3 36.354 72.708 0.385 3.85 24 75.5 11.6
108 9 4 1 36.354 72.708 0.385 3.85 24 20.1 0.8
109 6 8 0 36.783 73.566 0.389 3.76 12 48.0 2.3
110 8 6 0 36.783 73.566 0.389 3.76 12 14.0 0.2
111 10 0 0 36.783 73.566 0.389 3.76 6 34.1 0.6
112 1 1 10 37.211 74.421 0.393 3.68 24 66.1 8.5
113 7 7 2 37.211 74.421 0.393 3.68 24 101.5 20.1
114 2 6 8 37.636 75.272 0.396 3.61 24 39.9 3.0
115 2 10 0 37.636 75.272 0.396 3.61 12 21.6 0.4
116 8 6 2 37.636 75.272 0.396 3.61 24 38.4 2.8
117 10 2 0 37.636 75.272 0.396 3.61 12 15.1 0.2
118 3 4 9 38.06 76.12 0.4 3.53 24 62.6 7.3
119 5 9 0 38.06 76.12 0.4 3.53 12 110.6 11.5
120 9 4 3 38.06 76.12 0.4 3.53 24 73.0 10.0
121 9 5 0 38.06 76.12 0.4 3.53 12 39.4 1.5
122 2 2 10 38.483 76.965 0.404 3.47 24 12.1 0.3
123 6 6 6 38.483 76.965 0.404 3.47 8 11.5 0.1
124 1 3 10 38.904 77.807 0.408 3.4 24 136.9 33.8
125 2 5 9 38.904 77.807 0.408 3.4 24 94.6 16.1
126 5 6 7 38.904 77.807 0.408 3.4 24 104.4 19.6
127 7 6 5 38.904 77.807 0.408 3.4 24 86.4 13.5
128 9 5 2 38.904 77.807 0.408 3.4 24 70.5 9.0
129 10 3 1 38.904 77.807 0.408 3.4 24 146.2 38.5
130 1 7 8 39.742 79.484 0.415 3.29 24 80.5 11.3
131 5 5 8 39.742 79.484 0.415 3.29 24 18.0 0.6
132 7 7 4 39.742 79.484 0.415 3.29 24 11.5 0.2
133 8 7 1 39.742 79.484 0.415 3.29 24 94.8 15.6
134 4 6 8 40.159 80.318 0.419 3.23 24 26.8 1.2
135 4 10 0 40.159 80.318 0.419 3.23 12 95.2 7.8
136 8 6 4 40.159 80.318 0.419 3.23 24 38.0 2.5
137 10 4 0 40.159 80.318 0.419 3.23 12 106.4 9.7
138 1 6 9 40.576 81.151 0.422 3.19 24 5.1 0.0
139 3 3 10 40.576 81.151 0.422 3.19 24 47.1 3.7
140 9 6 1 40.576 81.151 0.422 3.19 24 58.9 5.9
141 2 4 10 40.991 81.982 0.426 3.14 24 94.7 14.9
142 10 4 2 40.991 81.982 0.426 3.14 24 15.4 0.4
143 1 11 0 41.405 82.811 0.429 3.1 12 9.1 0.1
144 3 7 8 41.405 82.811 0.429 3.1 24 131.8 28.5
145 4 5 9 41.405 82.811 0.429 3.1 24 62.0 6.3
146 8 7 3 41.405 82.811 0.429 3.1 24 146.4 35.2
147 9 5 4 41.405 82.811 0.429 3.1 24 109.6 19.7
148 11 1 0 41.405 82.811 0.429 3.1 12 56.6 2.6
149 1 2 11 42.232 84.464 0.436 3.02 24 56.0 5.0
150 1 5 10 42.232 84.464 0.436 3.02 24 93.7 14.0
151 3 6 9 42.232 84.464 0.436 3.02 24 149.9 35.9
152 9 6 3 42.232 84.464 0.436 3.02 24 73.2 8.6
153 10 5 1 42.232 84.464 0.436 3.02 24 100.9 16.3
154 11 2 1 42.232 84.464 0.436 3.02 24 84.7 11.5
155 8 8 0 42.645 85.289 0.44 2.98 12 23.6 0.4
156 3 11 0 43.057 86.114 0.443 2.95 12 50.6 2.0
157 7 9 0 43.057 86.114 0.443 2.95 12 22.7 0.4
158 9 7 0 43.057 86.114 0.443 2.95 12 51.0 2.0
159 11 3 0 43.057 86.114 0.443 2.95 12 8.6 0.1
160 4 4 10 43.468 86.937 0.447 2.92 24 24.6 0.9
161 8 8 2 43.468 86.937 0.447 2.92 24 27.6 1.2
162 2 3 11 43.88 87.759 0.45 2.89 24 81.7 10.2
163 2 7 9 43.88 87.759 0.45 2.89 24 52.2 4.2
164 3 5 10 43.88 87.759 0.45 2.89 24 77.4 9.2
165 7 7 6 43.88 87.759 0.45 2.89 24 101.4 15.7
166 9 7 2 43.88 87.759 0.45 2.89 24 61.7 5.8
167 10 5 3 43.88 87.759 0.45 2.89 24 41.2 2.6
168 11 3 2 43.88 87.759 0.45 2.89 24 104.2 16.6
169 6 6 8 44.291 88.582 0.453 2.87 24 34.4 1.8
170 6 10 0 44.291 88.582 0.453 2.87 12 76.1 4.4
171 10 6 0 44.291 88.582 0.453 2.87 12 62.8 3.0
172 1 4 11 44.702 89.403 0.457 2.84 24 55.1 4.6
173 5 7 8 44.702 89.403 0.457 2.84 24 94.1 13.3
174 8 7 5 44.702 89.403 0.457 2.84 24 88.5 11.8
175 11 4 1 44.702 89.403 0.457 2.84 24 37.9 2.2
X-ray diffraction powder data (I)...X-Ray wave length = 1.54056 (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 2 8.434 16.868 5.25171 139.5 14.2 14.4 5.6
2 2 2 0 9.751 19.502 4.54811 269.1 27.4 27.7 5.6
3 1 3 0 10.915 21.83 4.06795 125.0 12.7 12.9 5.6
4 2 2 2 11.972 23.943 3.71352 200.8 20.5 20.6 5.6
5 3 2 1 12.947 25.894 3.43805 554.4 56.5 56.8 5.6
6 4 0 0 13.858 27.716 3.216 302.2 30.8 30.9 5.6
7 3 3 0 14.717 29.434 3.03207 78.3 8.0 8.0 5.6
8 4 2 0 15.533 31.065 2.87648 117.8 12.0 12.0 5.6
9 3 3 2 16.311 32.623 2.74261 981.0 100.0 100.0 5.6
10 2 2 4 17.058 34.117 2.62585 286.6 29.2 29.2 5.7
11 4 3 1 17.778 35.555 2.52284 99.9 10.2 10.2 5.7
12 5 2 1 19.146 38.291 2.34863 264.2 26.9 26.8 5.7
13 4 4 0 19.799 39.598 2.27406 24.0 2.4 2.4 5.7
14 5 3 0 20.435 40.871 2.20616 602.5 61.4 60.9 5.7
15 4 4 2 21.056 42.111 2.144 10.2 1.0 1.0 5.7
16 5 3 2 21.661 43.322 2.08682 440.5 44.9 44.4 5.7
17 6 2 0 22.254 44.507 2.03398 40.1 4.1 4.0 5.7
18 5 4 1 22.834 45.667 1.98496 20.1 2.1 2.0 5.7
19 2 2 6 23.403 46.805 1.93932 14.8 1.5 1.5 5.7
20 1 3 6 23.961 47.922 1.89669 85.1 8.7 8.5 5.7
21 4 4 4 24.51 49.02 1.85676 26.8 2.7 2.7 5.7
22 5 4 3 25.05 50.1 1.81924 148.9 15.2 14.9 5.7
23 6 4 0 25.581 51.163 1.78392 206.8 21.1 20.7 5.8
24 5 5 2 26.105 52.21 1.75057 324.0 33.0 32.4 5.8
25 2 4 6 26.621 53.243 1.71902 21.4 2.2 2.1 5.8
26 3 7 0 27.131 54.262 1.68913 116.1 11.8 11.6 5.8
27 1 5 6 28.131 56.262 1.63373 44.4 4.5 4.4 5.8
28 8 0 0 28.622 57.244 1.608 67.7 6.9 6.7 5.8
29 7 4 1 29.108 58.216 1.58345 97.3 9.9 9.6 5.8
30 2 8 0 29.589 59.178 1.55999 118.6 12.1 11.7 5.8
31 3 5 6 30.065 60.13 1.53754 20.7 2.1 2.0 5.8
32 6 6 0 30.537 61.073 1.51604 37.8 3.9 3.7 5.8
33 7 5 0 31.004 62.008 1.49541 92.8 9.5 9.1 5.8
34 2 5 7 31.927 63.854 1.45656 21.7 2.2 2.1 5.9
35 8 4 2 33.285 66.569 1.40358 28.2 2.9 2.8 5.9
36 1 2 9 33.731 67.462 1.38716 51.5 5.2 5.0 5.9
37 6 6 4 34.174 68.349 1.37131 54.0 5.5 5.3 5.9
38 9 3 0 34.615 69.23 1.35598 91.4 9.3 8.9 5.9
39 2 3 9 35.489 70.978 1.32682 105.1 10.7 10.2 5.9
40 4 4 8 35.922 71.845 1.31293 11.0 1.1 1.1 5.9
41 8 5 3 36.354 72.708 1.29946 30.6 3.1 3.0 6.0
42 7 7 2 37.211 74.421 1.27373 28.6 2.9 2.8 6.0
43 9 4 3 38.06 76.12 1.24946 30.2 3.1 2.9 6.0
44 10 3 1 38.904 77.807 1.22653 130.5 13.3 12.5 6.0
45 8 7 1 39.742 79.484 1.20482 27.7 2.8 2.6 6.0
46 10 4 0 40.159 80.318 1.19439 21.2 2.2 2.0 6.0
47 2 4 10 40.991 81.982 1.17432 15.3 1.6 1.5 6.1
48 8 7 3 41.405 82.811 1.16465 92.2 9.4 8.7 6.1
49 11 2 1 42.232 84.464 1.14602 91.3 9.3 8.6 6.1
50 11 3 2 43.88 87.759 1.11128 64.4 6.6 6.0 6.2
51 8 7 5 44.702 89.403 1.09506 31.9 3.3 3.0 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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