Institute of Experimental Mineralogy
Russian Academy of Sciences
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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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CALZIRTITE
4, t-calzirtite, Sb-analogue, DF
Ca(2)Zr(5)(Sb)(2)O(16)
Tetragonal I 4(1)/acd Z = 8
I4(1)/acd
26 .11 .1997
Ref.Str.:
Sinclair W., Eggleton R.A., McLaughlin G.M. (1986)
* Amer. Mineral., 71, 815-818
Ref.Composition & Lattice:
Author (1997)
* Canad. Mineral., 35 , 800
Reserv:
D.T.N.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 15.199 alpha = 90.0
b = 15.199 beta = 90.0
c = 10.181 gamma = 90.0
Unit cell volume (cub. angs.) = 2351.91
Molar volume ( cub.cm/mol.) = 177.08
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.0126 0.0126 0.25 0.93 Zr = 0.5 , Zr = 0.0
2 0.1681 0.1681 0.25 0.5 Sb = 1.00
3 0.3328 0.3328 0.25 0.56 Ca = 1.00
4 0.1615 0.0178 0.4858 0.37 Zr = 1.00
5 0.25 0.213 0.125 0.87 O = 1.00
6 0.25 0.4303 0.125 0.56 O = 1.00
7 0.2433 0.0776 0.3309 0.93 O = 1.00
8 0.1135 0.0827 0.1236 0.95 O = 1.00
9 0.0655 0.0795 0.6193 0.84 O = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.0126 0.0126 0.25
2 2 0.1681 0.1681 0.25
3 3 0.3328 0.3328 0.25
4 4 0.1615 0.0178 0.4858
5 5 0.25 0.213 0.125
6 6 0.25 0.4303 0.125
7 7 0.2433 0.0776 0.3309
8 8 0.1135 0.0827 0.1236
9 9 0.0655 0.0795 0.6193
10 1 0.0126 0.9874 0.75
11 1 0.9874 0.9874 0.25
12 1 0.9874 0.0126 0.75
13 2 0.1681 0.8319 0.75
14 2 0.8319 0.8319 0.25
15 2 0.8319 0.1681 0.75
16 3 0.3328 0.6672 0.75
17 3 0.6672 0.6672 0.25
18 3 0.6672 0.3328 0.75
19 4 0.0178 0.8385 0.5142
20 4 0.8385 0.9822 0.4858
21 4 0.9822 0.1615 0.5142
22 5 0.213 0.75 0.875
23 5 0.75 0.787 0.125
24 5 0.787 0.25 0.875
25 6 0.4303 0.75 0.875
26 6 0.75 0.5697 0.125
27 6 0.5697 0.25 0.875
28 7 0.0776 0.7567 0.6691
29 7 0.7567 0.9224 0.3309
30 7 0.9224 0.2433 0.6691
31 8 0.0827 0.8865 0.8764
32 8 0.8865 0.9173 0.1236
33 8 0.9173 0.1135 0.8764
34 9 0.0795 0.9345 0.3807
35 9 0.9345 0.9205 0.6193
36 9 0.9205 0.0655 0.3807
37 1 0.4874 0.0126 0.0
38 1 0.4874 0.4874 0.75
39 1 0.0126 0.4874 0.5
40 2 0.3319 0.1681 0.0
41 2 0.3319 0.3319 0.75
42 2 0.1681 0.3319 0.5
43 3 0.1672 0.3328 0.0
44 3 0.1672 0.1672 0.75
45 3 0.3328 0.1672 0.5
46 4 0.4822 0.1615 0.2358
47 4 0.3385 0.4822 0.9858
48 4 0.0178 0.3385 0.7358
49 5 0.287 0.25 0.875
50 5 0.25 0.287 0.625
51 5 0.213 0.25 0.375
52 6 0.0697 0.25 0.875
53 6 0.25 0.0697 0.625
54 6 0.4303 0.25 0.375
55 7 0.4224 0.2433 0.0809
56 7 0.2567 0.4224 0.8309
57 7 0.0776 0.2567 0.5809
58 8 0.4173 0.1135 0.8736
59 8 0.3865 0.4173 0.6236
60 8 0.0827 0.3865 0.3736
61 9 0.4205 0.0655 0.3693
62 9 0.4345 0.4205 0.1193
63 9 0.0795 0.4345 0.8693
64 1 0.5126 0.0126 0.5
65 1 0.4874 0.5126 0.25
66 1 0.9874 0.4874 0.0
67 1 0.5126 0.9874 0.0
68 1 0.5126 0.5126 0.75
69 1 0.9874 0.5126 0.5
70 1 0.4874 0.9874 0.5
71 1 0.5126 0.4874 0.25
72 1 0.0126 0.5126 0.0
73 2 0.6681 0.1681 0.5
74 2 0.3319 0.6681 0.25
75 2 0.8319 0.3319 0.0
76 2 0.6681 0.8319 0.0
77 2 0.6681 0.6681 0.75
78 2 0.8319 0.6681 0.5
79 2 0.3319 0.8319 0.5
80 2 0.6681 0.3319 0.25
81 2 0.1681 0.6681 0.0
82 3 0.8328 0.3328 0.5
83 3 0.1672 0.8328 0.25
84 3 0.6672 0.1672 0.0
85 3 0.8328 0.6672 0.0
86 3 0.8328 0.8328 0.75
87 3 0.6672 0.8328 0.5
88 3 0.1672 0.6672 0.5
89 3 0.8328 0.1672 0.25
90 3 0.3328 0.8328 0.0
91 4 0.6615 0.0178 0.2642
92 4 0.4822 0.6615 0.0142
93 4 0.8385 0.4822 0.7642
94 4 0.5178 0.8385 0.2358
95 4 0.6615 0.5178 0.9858
96 4 0.9822 0.6615 0.7358
97 4 0.3385 0.9822 0.2642
98 4 0.5178 0.3385 0.0142
99 4 0.1615 0.5178 0.7642
100 5 0.75 0.213 0.625
101 5 0.287 0.75 0.375
102 5 0.75 0.287 0.125
103 5 0.713 0.75 0.875
104 5 0.75 0.713 0.625
105 5 0.787 0.75 0.375
106 5 0.25 0.787 0.625
107 5 0.713 0.25 0.375
108 5 0.25 0.713 0.125
109 6 0.75 0.4303 0.625
110 6 0.0697 0.75 0.375
111 6 0.75 0.0697 0.125
112 6 0.9303 0.75 0.875
113 6 0.75 0.9303 0.625
114 6 0.5697 0.75 0.375
115 6 0.25 0.5697 0.625
116 6 0.9303 0.25 0.375
117 6 0.25 0.9303 0.125
118 7 0.7433 0.0776 0.4191
119 7 0.4224 0.7433 0.1691
120 7 0.7567 0.4224 0.9191
121 7 0.5776 0.7567 0.0809
122 7 0.7433 0.5776 0.8309
123 7 0.9224 0.7433 0.5809
124 7 0.2567 0.9224 0.4191
125 7 0.5776 0.2567 0.1691
126 7 0.2433 0.5776 0.9191
127 8 0.6135 0.0827 0.6264
128 8 0.4173 0.6135 0.3764
129 8 0.8865 0.4173 0.1264
130 8 0.5827 0.8865 0.8736
131 8 0.6135 0.5827 0.6236
132 8 0.9173 0.6135 0.3736
133 8 0.3865 0.9173 0.6264
134 8 0.5827 0.3865 0.3764
135 8 0.1135 0.5827 0.1264
136 9 0.5655 0.0795 0.1307
137 9 0.4205 0.5655 0.8807
138 9 0.9345 0.4205 0.6307
139 9 0.5795 0.9345 0.3693
140 9 0.5655 0.5795 0.1193
141 9 0.9205 0.5655 0.8693
142 9 0.4345 0.9205 0.1307
143 9 0.5795 0.4345 0.8807
144 9 0.0655 0.5795 0.6307
145 4 0.8385 0.0178 0.9858
146 7 0.7567 0.0776 0.8309
147 8 0.8865 0.0827 0.6236
148 9 0.9345 0.0795 0.1193
149 4 0.9822 0.8385 0.0142
150 4 0.1615 0.9822 0.9858
151 4 0.0178 0.1615 0.0142
152 7 0.9224 0.7567 0.1691
153 7 0.2433 0.9224 0.8309
154 7 0.0776 0.2433 0.1691
155 8 0.9173 0.8865 0.3764
156 8 0.1135 0.9173 0.6236
157 8 0.0827 0.1135 0.3764
158 9 0.9205 0.9345 0.8807
159 9 0.0655 0.9205 0.1193
160 9 0.0795 0.0655 0.8807
161 4 0.5178 0.1615 0.7358
162 4 0.6615 0.4822 0.4858
163 4 0.9822 0.3385 0.2358
164 7 0.5776 0.2433 0.5809
165 7 0.7433 0.4224 0.3309
166 7 0.9224 0.2567 0.0809
167 8 0.5827 0.1135 0.3736
168 8 0.6135 0.4173 0.1236
169 8 0.9173 0.3865 0.8736
170 9 0.5795 0.0655 0.8693
171 9 0.5655 0.4205 0.6193
172 9 0.9205 0.4345 0.3693
173 4 0.3385 0.0178 0.7642
174 4 0.5178 0.6615 0.5142
175 4 0.1615 0.4822 0.2642
176 4 0.4822 0.8385 0.7358
177 4 0.3385 0.5178 0.4858
178 4 0.0178 0.6615 0.2358
179 4 0.6615 0.9822 0.7642
180 4 0.4822 0.3385 0.5142
181 4 0.8385 0.5178 0.2642
182 7 0.2567 0.0776 0.9191
183 7 0.5776 0.7433 0.6691
184 7 0.2433 0.4224 0.4191
185 7 0.4224 0.7567 0.5809
186 7 0.2567 0.5776 0.3309
187 7 0.0776 0.7433 0.0809
188 7 0.7433 0.9224 0.9191
189 7 0.4224 0.2567 0.6691
190 7 0.7567 0.5776 0.4191
191 8 0.3865 0.0827 0.1264
192 8 0.5827 0.6135 0.8764
193 8 0.1135 0.4173 0.6264
194 8 0.4173 0.8865 0.3736
195 8 0.3865 0.5827 0.1236
196 8 0.0827 0.6135 0.8736
197 8 0.6135 0.9173 0.1264
198 8 0.4173 0.3865 0.8764
199 8 0.8865 0.5827 0.6264
200 9 0.4345 0.0795 0.6307
201 9 0.5795 0.5655 0.3807
202 9 0.0655 0.4205 0.1307
203 9 0.4205 0.9345 0.8693
204 9 0.4345 0.5795 0.6193
205 9 0.0795 0.5655 0.3693
206 9 0.5655 0.9205 0.6307
207 9 0.4205 0.4345 0.3807
208 9 0.9345 0.5795 0.1307
X-ray density (g/cm cub.) = 5.85
MU (1/cm) = 1229.585 Mass attenuation coefficient (cm**2/g) = 210.246
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Zr ,Zr 2.616 6
2.2671 8
2.0528 9
2.0922 9
2.0528 9
2.2671 8
2.0922 9
2 Sb 2.712 6
1.9067 5
1.9689 7
2.0072 8
1.9067 5
1.9689 7
2.0072 8
3 Ca 2.88 8
2.5534 5
2.3236 6
2.5534 5
2.3236 6
2.5824 7
2.4364 9
2.5824 7
2.4364 9
4 Zr 2.616 7
2.204 7
2.2039 9
2.074 9
2.1071 6
2.1578 7
2.1988 8
2.1888 8
5 O 3.264 8
2.9394 7
2.8682 8
2.6666 5
2.6666 5
2.6981 7
2.6981 7
2.9394 7
2.8682 8
6 O 3.264 8
2.9984 7
2.8088 9
3.0687 7
3.1096 8
2.9984 7
3.0687 7
3.1096 8
2.8088 9
7 O 3.264 9
2.9394 5
2.89 8
2.6981 5
2.9984 6
2.7277 9
3.0687 6
2.5322 7
2.5437 8
3.013 8
8 O 3.264 9
2.8682 5
2.89 7
3.1096 6
2.7214 9
2.5437 7
2.6575 8
2.5713 9
2.5399 9
3.013 7
9 O 3.264 7
3.1312 9
2.8088 6
2.7277 7
2.7214 8
2.5713 8
2.5399 8
2.6783 9
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 2 0 0 6.759 13.519 0.066 141.41 4 107.8 118.9
2 2 1 1 9.104 18.208 0.088 76.96 16 270.0 1622.2
3 2 2 0 9.582 19.163 0.093 69.26 4 53.2 14.2
4 1 1 2 11.211 22.422 0.109 50.01 8 72.3 37.8
5 2 0 2 12.21 24.419 0.118 41.84 8 166.5 167.8
6 3 2 1 13.277 26.554 0.128 35.07 16 111.4 125.9
7 4 0 0 13.615 27.23 0.132 33.25 4 52.4 6.6
8 3 1 2 14.83 29.659 0.143 27.72 16 40.8 13.3
9 4 1 1 14.955 29.91 0.144 27.22 16 458.3 1653.6
10 4 2 0 15.259 30.518 0.147 26.07 8 82.8 25.9
11 4 0 2 17.082 34.165 0.164 20.42 8 92.8 25.4
12 2 1 3 17.133 34.266 0.165 20.29 16 226.9 302.1
13 3 3 2 17.777 35.554 0.171 18.72 8 2108.3 12035.5
14 4 3 1 17.884 35.767 0.172 18.48 16 57.1 17.4
15 4 2 2 18.448 36.897 0.177 17.26 16 5.4 0.1
16 5 2 1 19.2 38.4 0.184 15.8 16 41.9 8.0
17 4 4 0 19.445 38.89 0.186 15.37 4 68.8 5.3
18 3 2 3 19.777 39.555 0.189 14.8 16 2.4 0.0
19 5 1 2 20.349 40.698 0.194 13.89 16 78.4 24.7
20 0 0 4 20.574 41.149 0.196 13.55 2 1441.6 1018.4
21 6 0 0 20.677 41.354 0.197 13.4 4 1376.7 1836.9
22 4 1 3 20.993 41.986 0.2 12.96 16 276.5 286.5
23 6 1 1 21.629 43.258 0.206 12.12 16 116.5 47.6
24 2 0 4 21.753 43.506 0.207 11.96 8 4.8 0.0
25 6 2 0 21.851 43.703 0.208 11.84 8 37.6 2.4
26 5 3 2 22.676 45.352 0.216 10.89 16 10.4 0.3
27 5 4 1 22.764 45.527 0.216 10.8 16 48.0 7.2
28 2 2 4 22.883 45.766 0.217 10.67 8 9.2 0.1
29 6 0 2 23.229 46.458 0.22 10.32 8 7.4 0.1
30 4 3 3 23.268 46.536 0.221 10.28 16 158.8 74.9
31 3 1 4 23.432 46.864 0.222 10.11 16 241.1 170.1
32 6 3 1 23.856 47.711 0.226 9.71 16 36.1 3.7
33 6 2 2 24.305 48.61 0.23 9.31 16 26.4 1.9
34 5 2 3 24.343 48.685 0.23 9.28 16 148.1 58.8
35 4 0 4 25.023 50.046 0.236 8.71 8 8.1 0.1
36 6 4 0 25.111 50.222 0.237 8.64 8 14.1 0.2
37 7 2 1 25.935 51.87 0.244 8.03 16 320.6 238.7
38 4 2 4 26.043 52.087 0.245 7.95 16 33.9 2.6
39 6 1 3 26.394 52.787 0.248 7.72 16 197.5 87.1
40 5 5 2 26.853 53.707 0.253 7.42 8 123.2 16.3
41 7 1 2 26.853 53.707 0.253 7.42 16 109.9 25.9
42 2 1 5 27.295 54.589 0.256 7.15 16 154.7 49.5
43 6 4 2 27.343 54.685 0.257 7.12 16 201.1 83.3
44 5 4 3 27.378 54.755 0.257 7.1 16 489.5 492.0
45 5 1 4 27.523 55.047 0.258 7.01 16 31.6 2.0
46 6 5 1 27.902 55.803 0.262 6.8 16 165.8 54.1
47 8 0 0 28.086 56.172 0.263 6.7 4 141.2 9.7
48 6 3 3 28.338 56.676 0.265 6.56 16 12.9 0.3
49 7 3 2 28.777 57.554 0.269 6.34 16 139.8 35.8
50 7 4 1 28.851 57.701 0.27 6.3 16 496.2 449.0
51 8 1 1 28.851 57.701 0.27 6.3 16 12.7 0.3
52 4 4 4 28.952 57.903 0.271 6.25 8 163.3 24.1
53 8 2 0 29.031 58.063 0.271 6.22 8 223.4 44.8
54 3 2 5 29.199 58.398 0.273 6.14 16 156.4 43.4
55 5 3 4 29.418 58.835 0.275 6.03 16 183.7 58.9
56 6 0 4 29.879 59.759 0.278 5.83 8 2019.3 3435.7
57 6 6 0 29.958 59.915 0.279 5.79 4 1928.9 1558.3
58 4 1 5 30.122 60.243 0.281 5.72 16 308.6 157.7
59 8 0 2 30.167 60.334 0.281 5.7 8 149.3 18.4
60 7 2 3 30.2 60.399 0.281 5.69 16 309.6 157.7
61 8 3 1 30.693 61.385 0.285 5.49 16 107.6 18.4
62 6 2 4 30.79 61.58 0.286 5.45 16 84.5 11.2
63 8 2 2 31.072 62.145 0.289 5.34 16 12.3 0.2
64 8 4 0 31.76 63.521 0.294 5.09 8 26.6 0.5
65 4 3 5 31.919 63.839 0.296 5.03 16 93.0 12.6
66 6 5 3 31.995 63.989 0.296 5.01 16 201.7 58.9
67 1 1 6 32.253 64.507 0.298 4.92 8 16.1 0.2
68 7 5 2 32.403 64.806 0.3 4.87 16 17.3 0.4
69 2 0 6 32.691 65.383 0.302 4.78 8 378.8 99.2
70 5 2 5 32.797 65.594 0.303 4.75 16 65.5 5.9
71 7 4 3 32.871 65.743 0.303 4.72 16 446.6 272.5
72 8 1 3 32.871 65.743 0.303 4.72 16 20.3 0.6
73 7 1 4 33.002 66.004 0.304 4.68 16 53.6 3.9
74 7 6 1 33.342 66.684 0.307 4.58 16 139.8 25.9
75 9 2 1 33.342 66.684 0.307 4.58 16 245.5 79.9
76 6 4 4 33.435 66.87 0.308 4.56 16 43.1 2.4
77 8 4 2 33.705 67.411 0.31 4.48 16 11.9 0.2
78 3 1 6 33.988 67.976 0.312 4.4 16 23.8 0.7
79 9 1 2 34.134 68.268 0.314 4.36 16 83.3 8.8
80 8 5 1 34.201 68.402 0.314 4.35 16 230.9 67.0
81 6 1 5 34.518 69.036 0.317 4.26 16 88.1 9.6
82 8 3 3 34.59 69.181 0.317 4.25 16 73.1 6.6
83 7 3 4 34.718 69.436 0.318 4.21 16 198.7 48.1
84 4 0 6 35.261 70.523 0.323 4.08 8 267.0 42.1
85 5 4 5 35.363 70.727 0.324 4.06 16 155.5 28.4
86 3 3 6 35.681 71.363 0.326 3.99 8 1515.1 1324.1
87 9 3 2 35.824 71.648 0.327 3.96 16 1390.5 2213.1
88 9 4 1 35.89 71.779 0.328 3.94 16 185.4 39.2
89 8 0 4 35.979 71.959 0.328 3.92 8 42.8 1.0
90 8 6 0 36.051 72.101 0.329 3.91 8 36.5 0.8
91 10 0 0 36.051 72.101 0.329 3.91 4 329.3 30.6
92 4 2 6 36.099 72.198 0.329 3.9 16 43.1 2.1
93 6 3 5 36.2 72.4 0.33 3.88 16 1.7 0.0
94 10 1 1 36.721 73.443 0.334 3.77 16 375.6 154.0
95 8 2 4 36.81 73.621 0.335 3.76 16 117.8 15.1
96 10 2 0 36.881 73.762 0.335 3.74 8 110.9 6.7
97 7 6 3 37.099 74.199 0.337 3.7 16 127.2 17.3
98 9 2 3 37.099 74.199 0.337 3.7 16 127.0 17.3
99 5 1 6 37.341 74.683 0.339 3.66 16 50.4 2.7
100 7 7 2 37.482 74.963 0.34 3.63 8 94.2 4.7
101 6 6 4 37.634 75.269 0.341 3.61 8 1151.0 690.9
102 7 2 5 37.851 75.703 0.343 3.57 16 495.2 253.1
103 8 6 2 37.892 75.783 0.343 3.56 16 37.3 1.4
104 10 0 2 37.892 75.783 0.343 3.56 8 34.4 0.6
105 8 5 3 37.921 75.842 0.344 3.56 16 155.9 25.0
106 7 5 4 38.044 76.088 0.344 3.54 16 24.7 0.6
107 10 3 1 38.364 76.729 0.347 3.49 16 60.8 3.7
108 10 2 2 38.708 77.415 0.35 3.43 16 54.6 3.0
109 2 1 7 38.97 77.94 0.352 3.39 16 75.0 5.5
110 5 3 6 38.975 77.951 0.352 3.39 16 25.9 0.7
111 9 5 2 39.114 78.227 0.353 3.37 16 3.1 0.0
112 8 7 1 39.177 78.355 0.353 3.36 16 353.2 121.4
113 8 4 4 39.264 78.529 0.354 3.35 16 101.9 10.1
114 10 4 0 39.333 78.667 0.354 3.34 8 112.7 6.1
115 6 0 6 39.381 78.761 0.355 3.34 8 53.4 1.4
116 6 5 5 39.479 78.957 0.355 3.32 16 24.7 0.6
117 9 4 3 39.547 79.095 0.356 3.31 16 84.1 6.8
118 9 1 4 39.669 79.338 0.357 3.3 16 177.2 30.0
119 9 6 1 39.985 79.971 0.359 3.26 16 49.3 2.3
120 6 2 6 40.188 80.375 0.361 3.23 16 233.8 51.1
121 7 4 5 40.285 80.57 0.361 3.22 16 357.2 118.8
122 8 1 5 40.285 80.57 0.361 3.22 16 188.5 33.1
123 10 1 3 40.354 80.707 0.362 3.21 16 521.8 252.9
124 3 2 7 40.584 81.169 0.364 3.18 16 42.2 1.6
125 10 4 2 41.128 82.255 0.368 3.12 16 20.3 0.4
126 9 3 4 41.277 82.553 0.369 3.11 16 48.8 2.1
127 4 1 7 41.386 82.772 0.37 3.1 16 394.5 139.5
128 10 5 1 41.59 83.181 0.371 3.08 16 407.0 147.5
129 11 2 1 41.59 83.181 0.371 3.08 16 224.4 44.8
130 8 8 0 41.745 83.489 0.372 3.06 4 79.5 1.4
131 8 3 5 41.888 83.776 0.373 3.05 16 71.3 4.5
132 10 3 3 41.956 83.912 0.374 3.04 16 6.8 0.0
133 5 5 6 42.19 84.38 0.375 3.02 8 156.8 10.7
134 7 1 6 42.19 84.38 0.375 3.02 16 54.6 2.6
135 11 1 2 42.326 84.652 0.376 3.01 16 149.1 19.3
136 6 4 6 42.589 85.177 0.378 2.99 16 254.1 55.8
137 8 7 3 42.753 85.506 0.379 2.97 16 108.6 10.1
138 4 3 7 42.981 85.963 0.381 2.96 16 51.9 2.3
139 8 6 4 43.27 86.541 0.383 2.93 16 116.8 11.6
140 10 0 4 43.27 86.541 0.383 2.93 8 239.2 24.3
141 10 6 0 43.338 86.676 0.384 2.93 8 192.1 15.6
142 9 6 3 43.548 87.097 0.385 2.91 16 56.0 2.6
143 5 2 7 43.776 87.553 0.387 2.9 16 144.4 17.5
144 7 3 6 43.782 87.563 0.387 2.9 16 125.7 13.2
145 9 7 2 43.917 87.834 0.388 2.89 16 64.7 3.5
146 11 3 2 43.917 87.834 0.388 2.89 16 184.2 28.4
147 11 4 1 43.979 87.959 0.388 2.89 16 190.4 30.3
148 10 2 4 44.065 88.13 0.389 2.88 16 60.3 3.0
149 7 6 5 44.275 88.55 0.39 2.87 16 34.2 1.0
150 9 2 5 44.275 88.55 0.39 2.87 16 198.2 32.6
151 9 5 4 44.462 88.924 0.392 2.86 16 120.3 12.0
152 0 0 8 44.656 89.312 0.393 2.85 2 1515.9 236.5
153 12 0 0 44.926 89.853 0.395 2.83 4 1283.1 337.2
154 8 0 6 44.973 89.945 0.395 2.83 8 42.0 0.7
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 2 1 1 9.104 18.208 5.65308 1622.2 13.5 13.7 5.6
2 2 0 2 12.21 24.419 4.22933 167.8 1.4 1.4 5.6
3 3 2 1 13.277 26.554 3.89479 125.9 1.0 1.1 5.6
4 4 1 1 14.955 29.91 3.46609 1653.6 13.7 13.8 5.6
5 2 1 3 17.133 34.266 3.03627 302.1 2.5 2.5 5.7
6 3 3 2 17.777 35.554 2.92968 12035.5 100.0 100.0 5.7
7 0 0 4 20.574 41.149 2.54525 1018.4 8.5 8.4 5.7
8 6 0 0 20.677 41.354 2.53317 1836.9 15.3 15.2 5.7
9 4 1 3 20.993 41.986 2.49674 286.5 2.4 2.4 5.7
10 3 1 4 23.432 46.864 2.24932 170.1 1.4 1.4 5.7
11 7 2 1 25.935 51.87 2.04519 238.7 2.0 1.9 5.8
12 5 4 3 27.378 54.755 1.94511 492.0 4.1 4.0 5.8
13 7 4 1 28.851 57.701 1.85369 449.3 3.7 3.6 5.8
14 6 0 4 29.879 59.759 1.79548 3435.7 28.5 27.8 5.8
15 6 6 0 29.958 59.915 1.79122 1558.3 12.9 12.6 5.8
16 4 1 5 30.122 60.243 1.78236 157.7 1.3 1.3 5.8
17 7 2 3 30.2 60.399 1.7782 157.7 1.3 1.3 5.8
18 7 4 3 32.871 65.743 1.648 273.0 2.3 2.2 5.9
19 3 3 6 35.681 71.363 1.53351 1324.1 11.0 10.5 5.9
20 9 3 2 35.824 71.648 1.52822 2213.1 18.4 17.5 5.9
21 10 1 1 36.721 73.443 1.49594 154.0 1.3 1.2 6.0
22 6 6 4 37.634 75.269 1.46484 690.9 5.7 5.4 6.0
23 7 2 5 37.851 75.703 1.45769 253.1 2.1 2.0 6.0
24 8 7 1 39.177 78.355 1.41591 121.4 1.0 0.9 6.0
25 7 4 5 40.285 80.57 1.38334 151.9 1.3 1.2 6.1
26 10 1 3 40.354 80.707 1.3814 252.9 2.1 2.0 6.1
27 4 1 7 41.386 82.772 1.35293 139.5 1.2 1.1 6.1
28 10 5 1 41.59 83.181 1.34748 192.3 1.6 1.5 6.1
29 0 0 8 44.656 89.312 1.27262 236.5 2.0 1.8 6.2
30 12 0 0 44.926 89.853 1.26658 337.2 2.8 2.6 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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