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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HIARNEITE
1, DF
(Ca,Na,Mn)(2)(Zr,Mn)(5)(Sb,Ti,Fe)(2)O(16)
Tetragonal * I4(1)/acd Z = 8
*I4(1)/acd
25 .2 .1998
Ref.Str.:
Holstam D. (1998)
* Eur. J. Mineral., 9, 843-848
Reserv:
The coordinates of atoms are considered to equal to the those
of calzirtite. D.T.N.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 15.264 alpha = 90.0
b = 15.264 beta = 90.0
c = 10.089 gamma = 90.0
Unit cell volume (cub. angs.) = 2350.63
Molar volume ( cub.cm/mol.) = 176.98
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.5134 0.2366 0.875 1.5 Zr = 0.16, Mn = 0.09
2 0.8383 0.2321 0.3604 1.02 Zr = 1.00
3 0.332 0.082 0.375 0.55 Ti = 0.15, Sb = 0.34
4 0.6678 0.0822 0.375 0.64 Ca = 0.4 , Mn = 0.16, Na = 0.04
5 0.2435 0.1719 0.7054 0.75 O = 1.00
6 0.0654 0.1707 0.9941 0.77 O = 1.00
7 0.6141 0.1667 0.0014 0.96 O = 1.00
8 0.25 0.0373 0.5 0.78 O = 1.00
9 0.25 0.1806 0.0 0.7 O = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.5134 0.2366 0.875
2 2 0.8383 0.2321 0.3604
3 3 0.332 0.082 0.375
4 4 0.6678 0.0822 0.375
5 5 0.2435 0.1719 0.7054
6 6 0.0654 0.1707 0.9941
7 7 0.6141 0.1667 0.0014
8 8 0.25 0.0373 0.5
9 9 0.25 0.1806 0.0
10 1 0.4866 0.7634 0.125
11 2 0.1617 0.7679 0.6396
12 3 0.668 0.918 0.625
13 4 0.3322 0.9178 0.625
14 5 0.7565 0.8281 0.2946
15 6 0.9346 0.8293 0.0059
16 7 0.3859 0.8333 0.9986
17 8 0.75 0.9627 0.5
18 9 0.75 0.8194 0.0
19 1 0.0134 0.2366 0.625
20 2 0.3383 0.2321 0.1396
21 3 0.832 0.082 0.125
22 4 0.1678 0.0822 0.125
23 5 0.7435 0.1719 0.7946
24 6 0.5654 0.1707 0.5059
25 7 0.1141 0.1667 0.4986
26 8 0.75 0.0373 0.0
27 9 0.75 0.1806 0.5
28 1 0.9866 0.7634 0.375
29 2 0.6617 0.7679 0.8604
30 3 0.168 0.918 0.875
31 4 0.8322 0.9178 0.875
32 5 0.2565 0.8281 0.2054
33 6 0.4346 0.8293 0.4941
34 7 0.8859 0.8333 0.5014
35 8 0.25 0.9627 0.0
36 9 0.25 0.8194 0.5
37 1 0.5134 0.7366 0.125
38 2 0.8383 0.7321 0.6396
39 3 0.332 0.582 0.625
40 4 0.6678 0.5822 0.625
41 5 0.2435 0.6719 0.2946
42 6 0.0654 0.6707 0.0059
43 7 0.6141 0.6667 0.9986
44 8 0.25 0.5373 0.5
45 9 0.25 0.6806 0.0
46 1 0.4866 0.2634 0.875
47 2 0.1617 0.2679 0.3604
48 3 0.668 0.418 0.375
49 4 0.3322 0.4178 0.375
50 5 0.7565 0.3281 0.7054
51 6 0.9346 0.3293 0.9941
52 7 0.3859 0.3333 0.0014
53 8 0.75 0.4627 0.5
54 9 0.75 0.3194 0.0
55 1 0.0134 0.7366 0.375
56 2 0.3383 0.7321 0.8604
57 3 0.832 0.582 0.875
58 4 0.1678 0.5822 0.875
59 5 0.7435 0.6719 0.2054
60 6 0.5654 0.6707 0.4941
61 7 0.1141 0.6667 0.5014
62 8 0.75 0.5373 0.0
63 9 0.75 0.6806 0.5
64 1 0.9866 0.2634 0.625
65 2 0.6617 0.2679 0.1396
66 3 0.168 0.418 0.125
67 4 0.8322 0.4178 0.125
68 5 0.2565 0.3281 0.7946
69 6 0.4346 0.3293 0.5059
70 7 0.8859 0.3333 0.4986
71 8 0.25 0.4627 0.0
72 9 0.25 0.3194 0.5
73 1 0.4866 0.2366 0.375
74 2 0.1617 0.2321 0.8604
75 3 0.668 0.082 0.875
76 4 0.3322 0.0822 0.875
77 5 0.7565 0.1719 0.2054
78 6 0.9346 0.1707 0.4941
79 7 0.3859 0.1667 0.5014
80 1 0.5134 0.7634 0.625
81 2 0.8383 0.7679 0.1396
82 3 0.332 0.918 0.125
83 4 0.6678 0.9178 0.125
84 5 0.2435 0.8281 0.7946
85 6 0.0654 0.8293 0.5059
86 7 0.6141 0.8333 0.4986
87 1 0.9866 0.2366 0.125
88 2 0.6617 0.2321 0.6396
89 3 0.168 0.082 0.625
90 4 0.8322 0.0822 0.625
91 5 0.2565 0.1719 0.2946
92 6 0.4346 0.1707 0.0059
93 7 0.8859 0.1667 0.9986
94 1 0.0134 0.7634 0.875
95 2 0.3383 0.7679 0.3604
96 3 0.832 0.918 0.375
97 4 0.1678 0.9178 0.375
98 5 0.7435 0.8281 0.7054
99 6 0.5654 0.8293 0.9941
100 7 0.1141 0.8333 0.0014
101 1 0.4866 0.7366 0.625
102 2 0.1617 0.7321 0.1396
103 3 0.668 0.582 0.125
104 4 0.3322 0.5822 0.125
105 5 0.7565 0.6719 0.7946
106 6 0.9346 0.6707 0.5059
107 7 0.3859 0.6667 0.4986
108 1 0.5134 0.2634 0.375
109 2 0.8383 0.2679 0.8604
110 3 0.332 0.418 0.875
111 4 0.6678 0.4178 0.875
112 5 0.2435 0.3281 0.2054
113 6 0.0654 0.3293 0.4941
114 7 0.6141 0.3333 0.5014
115 1 0.9866 0.7366 0.875
116 2 0.6617 0.7321 0.3604
117 3 0.168 0.582 0.375
118 4 0.8322 0.5822 0.375
119 5 0.2565 0.6719 0.7054
120 6 0.4346 0.6707 0.9941
121 7 0.8859 0.6667 0.0014
122 1 0.0134 0.2634 0.125
123 2 0.3383 0.2679 0.6396
124 3 0.832 0.418 0.625
125 4 0.1678 0.4178 0.625
126 5 0.7435 0.3281 0.2946
127 6 0.5654 0.3293 0.0059
128 7 0.1141 0.3333 0.9986
129 2 0.5179 0.0883 0.1104
130 2 0.9821 0.9117 0.6104
131 5 0.5781 0.4935 0.4554
132 5 0.9219 0.5065 0.9554
133 6 0.5793 0.3154 0.7441
134 6 0.9207 0.6846 0.2441
135 7 0.5833 0.8641 0.7514
136 7 0.9167 0.1359 0.2514
137 8 0.7127 0.5 0.25
138 8 0.7873 0.5 0.75
139 9 0.5694 0.5 0.75
140 9 0.9306 0.5 0.25
141 2 0.9821 0.4117 0.3896
142 2 0.5179 0.5883 0.8896
143 5 0.9219 0.0065 0.0446
144 5 0.5781 0.9935 0.5446
145 6 0.9207 0.1846 0.7559
146 6 0.5793 0.8154 0.2559
147 7 0.9167 0.6359 0.7486
148 7 0.5833 0.3641 0.2486
149 8 0.7873 0.0 0.25
150 8 0.7127 0.0 0.75
151 9 0.9306 0.0 0.75
152 9 0.5694 0.0 0.25
153 2 0.0179 0.0883 0.3896
154 2 0.4821 0.9117 0.8896
155 5 0.0781 0.4935 0.0446
156 5 0.4219 0.5065 0.5446
157 6 0.0793 0.3154 0.7559
158 6 0.4207 0.6846 0.2559
159 7 0.0833 0.8641 0.7486
160 7 0.4167 0.1359 0.2486
161 8 0.2127 0.5 0.25
162 8 0.2873 0.5 0.75
163 9 0.0694 0.5 0.75
164 9 0.4306 0.5 0.25
165 2 0.4821 0.4117 0.1104
166 2 0.0179 0.5883 0.6104
167 5 0.4219 0.0065 0.4554
168 5 0.0781 0.9935 0.9554
169 6 0.4207 0.1846 0.7441
170 6 0.0793 0.8154 0.2441
171 7 0.4167 0.6359 0.7514
172 7 0.0833 0.3641 0.2514
173 8 0.2873 0.0 0.25
174 8 0.2127 0.0 0.75
175 9 0.4306 0.0 0.75
176 9 0.0694 0.0 0.25
177 2 0.5179 0.4117 0.6104
178 2 0.9821 0.5883 0.1104
179 5 0.5781 0.0065 0.9554
180 5 0.9219 0.9935 0.4554
181 6 0.5793 0.1846 0.2441
182 6 0.9207 0.8154 0.7441
183 7 0.5833 0.6359 0.2514
184 7 0.9167 0.3641 0.7514
185 2 0.9821 0.0883 0.8896
186 2 0.5179 0.9117 0.3896
187 5 0.9219 0.4935 0.5446
188 5 0.5781 0.5065 0.0446
189 6 0.9207 0.3154 0.2559
190 6 0.5793 0.6846 0.7559
191 7 0.9167 0.8641 0.2486
192 7 0.5833 0.1359 0.7486
193 2 0.0179 0.4117 0.8896
194 2 0.4821 0.5883 0.3896
195 5 0.0781 0.0065 0.5446
196 5 0.4219 0.9935 0.0446
197 6 0.0793 0.1846 0.2559
198 6 0.4207 0.8154 0.7559
199 7 0.0833 0.6359 0.2486
200 7 0.4167 0.3641 0.7486
201 2 0.4821 0.0883 0.6104
202 2 0.0179 0.9117 0.1104
203 5 0.4219 0.4935 0.9554
204 5 0.0781 0.5065 0.4554
205 6 0.4207 0.3154 0.2441
206 6 0.0793 0.6846 0.7441
207 7 0.4167 0.8641 0.2514
208 7 0.0833 0.1359 0.7514
X-ray density (g/cm cub.) = 4.57
MU (1/cm) = 759.014 Mass attenuation coefficient (cm**2/g) = 166.154
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Zr ,Mn 2.724 6
2.2643 7
2.05 6
2.092 6
2.05 6
2.092 6
2.2643 7
2 Zr 2.616 7
2.102 9
2.2041 7
2.202 5
2.2042 6
2.1638 5
2.1903 7
2.0761 6
3 Ti ,Sb 2.712 6
1.9033 8
1.9936 7
1.967 5
1.9936 7
1.967 5
1.9033 8
4 Ca ,Mn ,Na 2.88 8
2.5479 8
2.4519 6
2.3282 9
2.576 5
2.576 5
2.5479 8
2.3282 9
2.4519 6
5 O 3.264 9
2.9198 8
2.9768 9
2.8741 7
2.5561 5
3.0616 9
2.9945 7
2.7397 6
2.7034 8
2.5489 7
6 O 3.264 7
2.8224 9
3.138 6
2.7409 7
2.5913 7
2.7397 5
2.6583 6
2.5204 7
7 O 3.264 9
2.8741 5
2.8644 8
3.1202 9
2.9945 5
2.7409 6
2.5913 6
2.5489 5
2.5204 6
2.6357 7
8 O 3.264 8
2.9198 5
2.8644 7
2.8644 7
2.9198 5
2.7034 5
2.6477 8
2.6477 8
2.7034 5
9 O 3.264 8
2.9768 5
2.8224 6
3.1202 7
3.0616 5
2.9768 5
2.8224 6
3.0616 5
3.1202 7
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 6.73 13.461 0.066 142.65 4 229.5 543.8
2 2 1 1 9.103 18.206 0.088 76.98 16 84.8 160.4
3 2 2 0 9.54 19.081 0.093 69.88 4 255.0 328.9
4 1 1 2 11.287 22.574 0.109 49.32 8 360.4 927.6
5 2 0 2 12.272 24.543 0.119 41.4 8 168.0 169.1
6 3 2 1 13.246 26.492 0.128 35.24 16 114.2 133.0
7 4 0 0 13.556 27.112 0.131 33.56 4 45.6 5.0
8 3 1 2 14.861 29.722 0.143 27.59 16 143.1 163.6
9 4 1 1 14.914 29.827 0.144 27.38 16 278.3 614.1
10 4 2 0 15.193 30.385 0.146 26.32 8 341.1 443.4
11 4 0 2 17.092 34.184 0.164 20.4 8 92.9 25.5
12 2 1 3 17.247 34.495 0.166 20.0 16 57.1 18.9
13 3 3 2 17.78 35.561 0.171 18.71 8 1457.5 5756.1
14 4 3 1 17.825 35.651 0.171 18.61 16 71.1 27.3
15 4 2 2 18.446 36.892 0.177 17.26 16 4.2 0.1
16 5 2 1 19.134 38.269 0.183 15.92 16 104.0 49.8
17 4 4 0 19.359 38.718 0.185 15.52 4 291.8 95.6
18 3 2 3 19.857 39.714 0.19 14.67 16 0.4 0.0
19 5 1 2 20.331 40.663 0.194 13.92 16 168.4 114.2
20 6 0 0 20.585 41.17 0.197 13.54 4 759.0 564.6
21 0 0 4 20.771 41.541 0.198 13.27 2 802.9 309.6
22 4 1 3 21.059 42.118 0.201 12.87 16 107.1 42.7
23 6 1 1 21.55 43.099 0.205 12.22 16 131.6 61.3
24 6 2 0 21.754 43.507 0.207 11.96 8 144.9 36.4
25 2 0 4 21.931 43.862 0.209 11.75 8 87.1 12.9
26 5 3 2 22.641 45.282 0.215 10.93 16 118.4 44.3
27 5 4 1 22.678 45.356 0.216 10.89 16 120.7 45.9
28 2 2 4 23.045 46.089 0.219 10.5 8 232.4 82.1
29 6 0 2 23.19 46.379 0.22 10.36 8 8.1 0.1
30 4 3 3 23.31 46.621 0.221 10.23 16 168.4 84.0
31 3 1 4 23.586 47.172 0.224 9.97 16 238.9 164.7
32 6 3 1 23.764 47.528 0.225 9.8 16 44.7 5.7
33 6 2 2 24.258 48.516 0.23 9.35 16 23.4 1.5
34 5 2 3 24.375 48.749 0.231 9.25 16 284.6 216.9
35 6 4 0 24.997 49.993 0.236 8.73 8 105.0 13.9
36 4 0 4 25.156 50.313 0.238 8.61 8 71.9 6.4
37 7 2 1 25.831 51.663 0.244 8.1 16 149.9 52.7
38 4 2 4 26.165 52.329 0.246 7.87 16 175.5 70.2
39 6 1 3 26.407 52.813 0.249 7.71 16 206.3 95.0
40 5 5 2 26.789 53.578 0.252 7.46 8 101.0 11.0
41 7 1 2 26.789 53.578 0.252 7.46 16 294.0 186.7
42 6 4 2 27.275 54.55 0.256 7.16 16 202.7 85.2
43 5 4 3 27.382 54.764 0.257 7.1 16 333.0 227.8
44 2 1 5 27.532 55.064 0.258 7.01 16 4.5 0.0
45 5 1 4 27.628 55.256 0.259 6.95 16 30.2 1.8
46 6 5 1 27.787 55.574 0.261 6.86 16 158.8 50.1
47 8 0 0 27.956 55.912 0.262 6.77 4 24.4 0.3
48 6 3 3 28.335 56.669 0.265 6.57 16 15.4 0.4
49 7 3 2 28.699 57.399 0.268 6.38 16 55.5 5.7
50 7 4 1 28.73 57.461 0.269 6.36 16 342.3 215.9
51 8 1 1 28.73 57.461 0.269 6.36 16 150.5 41.8
52 8 2 0 28.896 57.792 0.27 6.28 8 12.9 0.2
53 4 4 4 29.041 58.082 0.271 6.21 8 346.3 107.8
54 3 2 5 29.41 58.821 0.275 6.04 16 156.2 42.7
55 5 3 4 29.502 59.004 0.275 5.99 16 179.8 56.1
56 6 6 0 29.817 59.634 0.278 5.85 4 1390.2 818.9
57 6 0 4 29.959 59.918 0.279 5.79 8 1456.8 1779.5
58 8 0 2 30.08 60.16 0.28 5.74 8 148.0 18.2
59 7 2 3 30.181 60.361 0.281 5.7 16 148.2 36.2
60 4 1 5 30.322 60.643 0.282 5.64 16 156.4 39.9
61 8 3 1 30.561 61.123 0.284 5.54 16 100.4 16.2
62 6 2 4 30.86 61.721 0.287 5.42 16 168.8 44.7
63 8 2 2 30.979 61.958 0.288 5.38 16 13.1 0.3
64 8 4 0 31.61 63.219 0.293 5.14 8 162.0 19.5
65 6 5 3 31.961 63.923 0.296 5.02 16 190.8 52.9
66 4 3 5 32.098 64.195 0.297 4.97 16 98.3 13.9
67 7 5 2 32.301 64.602 0.299 4.91 16 187.1 49.7
68 1 1 6 32.572 65.144 0.301 4.82 8 172.0 20.6
69 7 4 3 32.831 65.662 0.303 4.74 16 299.2 122.8
70 8 1 3 32.831 65.662 0.303 4.74 16 145.4 29.0
71 5 2 5 32.966 65.931 0.304 4.7 16 179.5 43.8
72 2 0 6 33.004 66.008 0.304 4.68 8 367.8 91.7
73 7 1 4 33.052 66.103 0.305 4.67 16 51.4 3.6
74 7 6 1 33.195 66.389 0.306 4.63 16 160.5 34.5
75 9 2 1 33.195 66.389 0.306 4.63 16 246.7 81.5
76 6 4 4 33.481 66.961 0.308 4.54 16 31.5 1.3
77 8 4 2 33.594 67.189 0.309 4.51 16 8.8 0.1
78 9 1 2 34.02 68.04 0.313 4.39 16 168.6 36.2
79 8 5 1 34.048 68.096 0.313 4.39 16 316.9 127.5
80 3 1 6 34.284 68.568 0.315 4.32 16 88.7 9.9
81 8 3 3 34.537 69.073 0.317 4.26 16 67.0 5.5
82 6 1 5 34.668 69.336 0.318 4.23 16 93.6 10.7
83 7 3 4 34.752 69.504 0.319 4.21 16 189.4 43.7
84 5 4 5 35.505 71.009 0.325 4.03 16 16.1 0.3
85 4 0 6 35.542 71.083 0.325 4.02 8 249.9 36.4
86 9 3 2 35.698 71.396 0.326 3.98 16 893.1 920.4
87 9 4 1 35.726 71.452 0.326 3.98 16 201.6 46.8
88 8 6 0 35.873 71.746 0.328 3.95 8 69.5 2.8
89 10 0 0 35.873 71.746 0.328 3.95 4 239.8 16.4
90 3 3 6 35.957 71.913 0.328 3.93 8 978.2 544.3
91 8 0 4 36.002 72.005 0.329 3.92 8 54.4 1.7
92 6 3 5 36.333 72.666 0.331 3.85 16 1.9 0.0
93 4 2 6 36.37 72.739 0.331 3.84 16 40.0 1.8
94 10 1 1 36.552 73.104 0.333 3.81 16 223.8 55.2
95 10 2 0 36.698 73.396 0.334 3.78 8 248.8 33.9
96 8 2 4 36.826 73.652 0.335 3.75 16 64.2 4.5
97 7 6 3 37.026 74.052 0.337 3.71 16 145.3 22.7
98 9 2 3 37.026 74.052 0.337 3.71 16 125.3 16.9
99 7 7 2 37.344 74.688 0.339 3.66 8 221.7 26.0
100 5 1 6 37.598 75.196 0.341 3.61 16 128.1 17.2
101 6 6 4 37.643 75.286 0.341 3.6 8 656.3 224.8
102 8 6 2 37.751 75.502 0.342 3.59 16 36.5 1.4
103 10 0 2 37.751 75.502 0.342 3.59 8 28.7 0.4
104 8 5 3 37.841 75.683 0.343 3.57 16 230.5 54.9
105 7 2 5 37.968 75.936 0.344 3.55 16 341.6 119.9
106 7 5 4 38.049 76.098 0.345 3.54 16 21.2 0.5
107 10 3 1 38.184 76.367 0.346 3.51 16 70.5 5.1
108 10 2 2 38.561 77.122 0.348 3.45 16 51.0 2.6
109 9 5 2 38.964 77.928 0.352 3.39 16 96.4 9.1
110 8 7 1 38.991 77.982 0.352 3.39 16 201.8 40.0
111 10 4 0 39.134 78.268 0.353 3.37 8 228.0 25.4
112 5 3 6 39.215 78.43 0.353 3.36 16 49.8 2.4
113 8 4 4 39.259 78.518 0.354 3.35 16 57.2 3.2
114 2 1 7 39.367 78.733 0.355 3.34 16 49.7 2.4
115 9 4 3 39.455 78.91 0.355 3.33 16 101.3 9.9
116 6 5 5 39.58 79.16 0.356 3.31 16 18.8 0.3
117 6 0 6 39.616 79.232 0.356 3.3 8 52.2 1.3
118 9 1 4 39.66 79.32 0.357 3.3 16 167.8 26.9
119 9 6 1 39.793 79.586 0.358 3.28 16 59.6 3.4
120 10 1 3 40.255 80.51 0.361 3.22 16 371.4 128.7
121 7 4 5 40.379 80.759 0.362 3.21 16 213.0 42.1
122 8 1 5 40.379 80.759 0.362 3.21 16 73.8 5.1
123 6 2 6 40.415 80.83 0.362 3.2 16 218.4 44.2
124 10 4 2 40.963 81.926 0.366 3.14 16 20.4 0.4
125 3 2 7 40.964 81.927 0.366 3.14 16 41.6 1.6
126 9 3 4 41.254 82.508 0.369 3.11 16 46.7 2.0
127 10 5 1 41.386 82.772 0.37 3.1 16 249.1 55.7
128 11 2 1 41.386 82.772 0.37 3.1 16 304.9 83.4
129 8 8 0 41.527 83.054 0.371 3.08 4 86.6 1.7
130 4 1 7 41.757 83.514 0.372 3.06 16 254.2 57.3
131 10 3 3 41.844 83.689 0.373 3.05 16 5.2 0.0
132 8 3 5 41.968 83.935 0.374 3.04 16 56.9 2.8
133 11 1 2 42.152 84.304 0.375 3.02 16 8.5 0.1
134 5 5 6 42.398 84.797 0.377 3.0 8 14.1 0.1
135 7 1 6 42.398 84.797 0.377 3.0 16 187.6 30.6
136 8 7 3 42.635 85.27 0.379 2.98 16 32.9 0.9
137 6 4 6 42.793 85.587 0.38 2.97 16 235.5 47.7
138 10 6 0 43.108 86.217 0.382 2.95 8 104.8 4.7
139 8 6 4 43.231 86.462 0.383 2.94 16 22.1 0.4
140 10 0 4 43.231 86.462 0.383 2.94 8 155.8 10.3
141 4 3 7 43.337 86.674 0.384 2.93 16 44.6 1.7
142 9 6 3 43.424 86.848 0.384 2.92 16 66.0 3.7
143 9 7 2 43.73 87.46 0.386 2.9 16 10.8 0.1
144 11 3 2 43.73 87.46 0.386 2.9 16 71.7 4.3
145 11 4 1 43.756 87.513 0.387 2.9 16 68.2 3.9
146 7 3 6 43.976 87.951 0.388 2.89 16 59.6 3.0
147 10 2 4 44.019 88.038 0.388 2.88 16 173.4 25.1
148 5 2 7 44.125 88.249 0.389 2.88 16 45.2 1.7
149 7 6 5 44.334 88.668 0.391 2.86 16 50.2 2.1
150 9 2 5 44.334 88.668 0.391 2.86 16 181.7 27.4
151 9 5 4 44.413 88.826 0.391 2.86 16 111.3 10.3
152 12 0 0 44.684 89.367 0.393 2.84 4 854.0 150.2
153 10 6 2 44.911 89.822 0.395 2.83 16 64.3 3.4
154 10 5 3 44.999 89.997 0.395 2.83 16 113.6 10.6
155 11 2 3 44.999 89.997 0.395 2.83 16 55.3 2.5
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 0 0 6.73 13.461 7.632 543.8 9.4 9.6 5.6
2 2 1 1 9.103 18.206 5.65373 160.4 2.8 2.8 5.6
3 2 2 0 9.54 19.081 5.39664 328.9 5.7 5.8 5.6
4 1 1 2 11.287 22.574 4.57 927.6 16.1 16.3 5.6
5 2 0 2 12.272 24.543 4.20832 169.1 2.9 3.0 5.6
6 3 2 1 13.246 26.492 3.90372 133.0 2.3 2.3 5.6
7 3 1 2 14.861 29.722 3.48752 163.6 2.8 2.9 5.6
8 4 1 1 14.914 29.827 3.47547 614.1 10.7 10.7 5.6
9 4 2 0 15.193 30.385 3.41313 443.4 7.7 7.7 5.6
10 3 3 2 17.78 35.561 2.92911 5756.1 100.0 100.0 5.7
11 4 4 0 19.359 38.718 2.69832 95.6 1.7 1.7 5.7
12 5 1 2 20.331 40.663 2.57436 114.2 2.0 2.0 5.7
13 6 0 0 20.585 41.17 2.544 564.6 9.8 9.8 5.7
14 0 0 4 20.771 41.541 2.52225 309.6 5.4 5.3 5.7
15 6 1 1 21.55 43.099 2.43519 61.3 1.1 1.1 5.7
16 2 2 4 23.045 46.089 2.285 82.1 1.4 1.4 5.7
17 4 3 3 23.31 46.621 2.26038 84.0 1.5 1.4 5.7
18 3 1 4 23.586 47.172 2.23545 164.7 2.9 2.8 5.7
19 5 2 3 24.375 48.749 2.16733 216.9 3.8 3.7 5.7
20 4 2 4 26.165 52.329 2.02848 70.2 1.2 1.2 5.8
21 6 1 3 26.407 52.813 2.0112 95.0 1.7 1.6 5.8
22 7 1 2 26.789 53.578 1.98458 197.7 3.4 3.4 5.8
23 6 4 2 27.275 54.55 1.95186 85.2 1.5 1.4 5.8
24 5 4 3 27.382 54.764 1.9448 227.8 4.0 3.9 5.8
25 7 4 1 28.73 57.461 1.86079 257.6 4.5 4.4 5.8
26 4 4 4 29.041 58.082 1.8426 107.8 1.9 1.8 5.8
27 6 6 0 29.817 59.634 1.79888 818.9 14.2 13.8 5.8
28 6 0 4 29.959 59.918 1.79114 1779.5 30.9 30.0 5.8
29 7 4 3 32.831 65.662 1.64979 151.8 2.6 2.5 5.9
30 2 0 6 33.004 66.008 1.64212 91.7 1.6 1.5 5.9
31 9 2 1 33.195 66.389 1.63376 116.0 2.0 1.9 5.9
32 8 5 1 34.048 68.096 1.59757 163.7 2.8 2.7 5.9
33 9 3 2 35.698 71.396 1.53288 967.2 16.8 16.0 5.9
34 3 3 6 35.957 71.913 1.52333 544.3 9.5 9.0 5.9
35 6 6 4 37.643 75.286 1.46456 224.8 3.9 3.7 6.0
36 7 2 5 37.968 75.936 1.45388 119.9 2.1 2.0 6.0
37 10 1 3 40.255 80.51 1.3842 128.7 2.2 2.1 6.1
38 11 2 1 41.386 82.772 1.35292 139.1 2.4 2.2 6.1
39 12 0 0 44.684 89.367 1.272 150.2 2.6 2.4 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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