Institute of Experimental Mineralogy
Russian Academy of Sciences
-------------------------------------------------
142432, Chernogolovka, Moscow district
A.V. Chichagov +7(496)52-22320
***
*** W W W - X R A Y P O L ***
***********************
APATITE
41, t-apatite, syn, DF
(Ca,Na)(5)[PO(4)](3)Cl(0.78)
Hexagonal P 6(3)/m Z = 2
R =0.0269 NR =1020
27 .4 .23
Ref.Str.:
Matsuura M., Okudera H. (2022)
* Acta Cryst., B78, 789-797, doi:10.1107/S2052520622008095
L: $Ca4.78 Na0.22 P3 O12 Cl0.78$
R: N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 9.5773 alpha = 90.0
b = 9.5773 beta = 90.0
c = 6.8033 gamma = 120.0
Unit cell volume (cub. angs.) = 540.43
Molar volume ( cub.cm/mol.) = 162.76
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.3333 0.6667 0.0028 0.0 Ca = 0.96, Na = 0.04
2 0.2587 0.9973 0.25 0.0 Ca = 0.96, Na = 0.04
3 0.4028 0.3713 0.25 0.0 P = 1.00
4 0.3367 0.4879 0.25 0.0 O = 1.00
5 0.5886 0.4638 0.25 0.0 O = 1.00
6 0.359 0.271 0.0526 0.0 O = 0.5 , O = 0.0
7 0.343 0.257 0.0841 0.0 O = 0.5 , O = 0.0
8 0.0 0.0 0.1691 0.0 Cl = 0.39, Cl = 0.0
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.3333 0.6667 0.0028
2 2 0.2587 0.9973 0.25
3 3 0.4028 0.3713 0.25
4 4 0.3367 0.4879 0.25
5 5 0.5886 0.4638 0.25
6 6 0.359 0.271 0.0526
7 7 0.343 0.257 0.0841
8 8 0.0 0.0 0.1691
9 2 0.0027 0.2615 0.25
10 2 0.7385 0.7413 0.25
11 3 0.6287 0.0315 0.25
12 3 0.9685 0.5972 0.25
13 4 0.5121 0.8488 0.25
14 4 0.1512 0.6633 0.25
15 5 0.5362 0.1249 0.25
16 5 0.8752 0.4114 0.25
17 6 0.729 0.088 0.0526
18 6 0.912 0.641 0.0526
19 7 0.743 0.086 0.0841
20 7 0.914 0.657 0.0841
21 1 0.6667 0.3333 0.5028
22 2 0.7413 0.0027 0.75
23 3 0.5972 0.6287 0.75
24 4 0.6633 0.5121 0.75
25 5 0.4114 0.5362 0.75
26 6 0.641 0.729 0.5526
27 7 0.657 0.743 0.5841
28 8 0.0 0.0 0.6691
29 2 0.9973 0.7385 0.75
30 2 0.2615 0.2587 0.75
31 3 0.3713 0.9685 0.75
32 3 0.0315 0.4028 0.75
33 4 0.4879 0.1512 0.75
34 4 0.8488 0.3367 0.75
35 5 0.4638 0.8751 0.75
36 5 0.1248 0.5886 0.75
37 6 0.271 0.912 0.5526
38 6 0.088 0.359 0.5526
39 7 0.257 0.914 0.5841
40 7 0.086 0.343 0.5841
41 1 0.3333 0.6667 0.4972
42 6 0.359 0.271 0.4474
43 7 0.343 0.257 0.4159
44 8 0.0 0.0 0.3309
45 6 0.729 0.088 0.4474
46 6 0.912 0.641 0.4474
47 7 0.743 0.086 0.4159
48 7 0.914 0.657 0.4159
49 1 0.6667 0.3333 0.9972
50 6 0.641 0.729 0.9474
51 7 0.657 0.743 0.9159
52 8 0.0 0.0 0.8309
53 6 0.271 0.912 0.9474
54 6 0.088 0.359 0.9474
55 7 0.257 0.914 0.9159
56 7 0.086 0.343 0.9159
X-ray density (g/cm cub.) = 3.13
MU (1/cm) = 265.472 Mass attenuation coefficient (cm**2/g) = 84.864
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Ca ,Na 3.42 12
2.4114 4
2.4114 4
2.4113 4
2.4519 5
2.4519 5
2.4519 5
2.7244 6
2.8683 7
2.7244 6
2.7244 6
2.8683 7
2.8683 7
2 Ca ,Na 3.42 13
2.6612 6
2.4711 7
2.5513 8
3.3705 4
2.8278 4
2.3042 5
2.2393 6
2.406 7
2.6612 6
2.4711 7
2.5513 8
2.2393 6
2.406 7
3 P 2.772 6
1.5348 4
1.5411 5
1.5809 6
1.4742 7
1.5809 6
1.4742 7
4 O 3.804 17
2.5363 5
2.5707 6
2.5103 7
2.9935 4
2.9935 4
3.4592 5
3.4592 5
3.3666 6
3.6126 7
2.9147 6
3.0864 7
2.5707 6
2.5103 7
3.3666 6
3.6126 7
2.9147 6
3.0864 7
5 O 3.804 17
2.5363 4
2.4471 6
2.4639 7
3.0264 5
3.0264 5
3.0034 6
2.9399 7
3.4592 4
3.4592 4
3.1094 6
3.316 7
2.4471 6
2.4639 7
3.0034 6
2.9399 7
3.1094 6
3.316 7
6 O ,O 3.804 16
2.5707 4
2.4471 5
0.2585 7
3.2035 8
3.0034 5
3.3666 4
3.1094 5
2.9146 4
2.6859 6
2.4759 7
3.6358 8
3.451 8
3.1852 6
3.1854 6
3.1889 7
3.1591 7
7 O ,O 3.804 16
2.5103 4
2.4639 5
0.2585 6
3.0164 8
2.9399 5
3.6126 4
3.316 5
3.0862 4
2.4759 6
2.2573 7
3.4034 8
3.4251 8
3.1589 6
3.189 6
3.1738 7
3.174 7
8 Cl ,Cl 4.344 31
4.1795 4
3.2035 6
3.0164 7
4.1795 4
4.1796 4
3.2034 6
3.2035 6
3.0163 7
3.0164 7
4.0548 6
4.0909 7
3.4016 8
3.4016 8
4.0547 6
4.0548 6
4.0908 7
4.0909 7
3.6358 6
3.4034 7
1.1008 8
3.6357 6
3.6358 6
3.4034 7
3.4034 7
3.451 6
3.4251 7
2.3009 8
3.4509 6
3.451 6
3.425 7
3.4251 7
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 0 0 5.329 10.657 0.06 228.91 6 20.5 198.0
2 1 0 1 8.421 16.841 0.095 90.33 12 14.3 76.3
3 1 1 0 9.257 18.513 0.104 74.37 6 10.0 15.1
4 2 0 0 10.704 21.409 0.121 55.07 6 12.9 19.0
5 1 1 1 11.344 22.689 0.128 48.8 12 16.6 55.0
6 2 0 1 12.564 25.128 0.141 39.4 12 17.9 52.0
7 0 0 2 13.088 26.175 0.147 36.15 2 143.8 512.0
8 1 0 2 14.167 28.334 0.159 30.56 12 28.4 101.5
9 1 2 0 14.224 28.448 0.159 30.3 6 0.3 0.0
10 2 1 0 14.224 28.448 0.159 30.3 6 49.2 150.8
11 1 2 1 15.697 31.393 0.176 24.53 12 67.4 458.5
12 2 1 1 15.697 31.393 0.176 24.53 12 101.5 1037.8
13 1 1 2 16.127 32.253 0.18 23.14 12 87.8 733.3
14 3 0 0 16.177 32.354 0.181 22.99 6 161.1 1225.8
15 2 0 2 17.03 34.06 0.19 20.56 12 67.2 381.8
16 3 0 1 17.502 35.004 0.195 19.37 12 27.1 58.5
17 2 2 0 18.766 37.533 0.209 16.62 6 15.0 7.7
18 1 2 2 19.52 39.041 0.217 15.24 12 18.9 22.3
19 2 1 2 19.52 39.041 0.217 15.24 12 35.6 79.5
20 1 3 0 19.563 39.126 0.217 15.16 6 98.1 300.0
21 3 1 0 19.563 39.126 0.217 15.16 6 33.6 35.2
22 2 2 1 19.941 39.882 0.221 14.53 12 5.7 1.9
23 1 0 3 20.618 41.236 0.229 13.49 12 5.9 1.9
24 1 3 1 20.7 41.4 0.229 13.37 12 45.1 111.5
25 3 1 1 20.7 41.4 0.229 13.37 12 9.8 5.2
26 3 0 2 21.04 42.081 0.233 12.89 12 9.5 4.8
27 4 0 0 21.807 43.614 0.241 11.9 6 25.1 15.4
28 1 1 3 22.075 44.151 0.244 11.57 12 41.9 83.7
29 2 0 3 22.776 45.552 0.251 10.79 12 32.9 47.9
30 4 0 1 22.852 45.704 0.252 10.7 12 11.1 5.4
31 2 2 2 23.167 46.334 0.255 10.38 12 104.0 461.4
32 1 3 2 23.843 47.685 0.262 9.72 12 60.2 144.7
33 3 1 2 23.843 47.685 0.262 9.72 12 57.7 133.2
34 2 3 0 23.879 47.758 0.263 9.69 6 63.4 80.0
35 3 2 0 23.879 47.758 0.263 9.69 6 6.7 0.9
36 1 2 3 24.785 49.571 0.272 8.9 12 65.7 157.7
37 2 1 3 24.785 49.571 0.272 8.9 12 91.5 306.1
38 2 3 1 24.856 49.713 0.273 8.85 12 66.9 162.8
39 3 2 1 24.856 49.713 0.273 8.85 12 63.0 144.1
40 1 4 0 25.188 50.375 0.276 8.58 6 69.4 84.8
41 4 1 0 25.188 50.375 0.276 8.58 6 85.1 127.6
42 4 0 2 25.789 51.578 0.282 8.13 12 79.2 209.4
43 3 0 3 26.06 52.12 0.285 7.94 12 27.1 23.9
44 1 4 1 26.129 52.257 0.286 7.9 12 1.0 0.0
45 4 1 1 26.129 52.257 0.286 7.9 12 3.2 0.3
46 0 0 4 26.929 53.858 0.294 7.37 2 210.8 224.2
47 1 0 4 27.536 55.073 0.3 7.01 12 37.2 39.9
48 2 3 2 27.635 55.27 0.301 6.95 12 8.6 2.1
49 3 2 2 27.635 55.27 0.301 6.95 12 63.4 114.7
50 5 0 0 27.668 55.336 0.301 6.93 6 5.4 0.4
51 2 2 3 27.894 55.788 0.304 6.8 12 13.3 4.9
52 1 3 3 28.487 56.975 0.31 6.49 12 42.3 47.6
53 3 1 3 28.487 56.975 0.31 6.49 12 45.6 55.4
54 5 0 1 28.552 57.104 0.31 6.45 12 35.3 33.0
55 1 1 4 28.725 57.45 0.312 6.37 12 3.4 0.3
56 1 4 2 28.821 57.642 0.313 6.32 12 10.1 2.6
57 4 1 2 28.821 57.642 0.313 6.32 12 27.2 19.2
58 3 3 0 28.853 57.706 0.313 6.3 6 48.6 30.5
59 2 0 4 29.307 58.615 0.318 6.08 12 16.6 6.9
60 2 4 0 29.434 58.868 0.319 6.03 6 72.1 64.4
61 4 2 0 29.434 58.868 0.319 6.03 6 7.0 0.6
62 3 3 1 29.714 59.428 0.322 5.9 12 41.7 42.1
63 4 0 3 30.222 60.445 0.327 5.68 12 3.0 0.2
64 2 4 1 30.285 60.569 0.327 5.65 12 48.2 54.1
65 4 2 1 30.285 60.569 0.327 5.65 12 34.8 28.2
66 1 2 4 31.014 62.028 0.334 5.36 12 52.9 61.7
67 2 1 4 31.014 62.028 0.334 5.36 12 42.0 38.9
68 5 0 2 31.106 62.212 0.335 5.33 12 76.1 126.9
69 1 5 0 31.136 62.273 0.336 5.32 6 2.5 0.1
70 5 1 0 31.136 62.273 0.336 5.32 6 50.0 27.3
71 2 3 3 31.9 63.8 0.343 5.04 12 19.2 7.6
72 3 2 3 31.9 63.8 0.343 5.04 12 65.7 89.4
73 1 5 1 31.96 63.92 0.344 5.02 12 36.2 27.0
74 5 1 1 31.96 63.92 0.344 5.02 12 88.7 162.4
75 3 0 4 32.122 64.244 0.345 4.96 12 79.3 128.4
76 3 3 2 32.212 64.424 0.346 4.93 12 28.6 16.6
77 2 4 2 32.757 65.515 0.351 4.76 12 23.0 10.3
78 4 2 2 32.757 65.515 0.351 4.76 12 30.7 18.5
79 1 4 3 32.991 65.983 0.353 4.69 12 20.3 7.9
80 4 1 3 32.991 65.983 0.353 4.69 12 8.7 1.5
81 2 2 4 33.747 67.493 0.361 4.47 12 12.1 2.7
82 6 0 0 33.864 67.727 0.362 4.44 6 30.9 8.7
83 1 3 4 34.279 68.559 0.366 4.32 12 4.9 0.4
84 3 1 4 34.279 68.559 0.366 4.32 12 20.5 7.4
85 1 5 2 34.367 68.733 0.366 4.3 12 24.4 10.5
86 5 1 2 34.367 68.733 0.366 4.3 12 40.4 28.8
87 3 4 0 34.396 68.791 0.367 4.29 6 37.7 12.6
88 4 3 0 34.396 68.791 0.367 4.29 6 13.7 1.7
89 6 0 1 34.653 69.306 0.369 4.23 12 0.8 0.0
90 1 0 5 35.007 70.014 0.372 4.14 12 8.2 1.2
91 5 0 3 35.122 70.244 0.373 4.12 12 13.5 3.1
92 3 4 1 35.18 70.359 0.374 4.1 12 17.4 5.1
93 4 3 1 35.18 70.359 0.374 4.1 12 58.2 57.1
94 2 5 0 35.449 70.897 0.376 4.04 6 54.3 24.5
95 5 2 0 35.449 70.897 0.376 4.04 6 88.1 64.4
96 4 0 4 35.856 71.712 0.38 3.95 12 7.1 0.8
97 1 1 5 36.052 72.104 0.382 3.91 12 15.0 3.6
98 3 3 3 36.166 72.331 0.383 3.88 12 10.6 1.8
99 2 5 1 36.222 72.445 0.384 3.87 12 18.1 5.2
100 5 2 1 36.222 72.445 0.384 3.87 12 36.3 20.9
101 2 0 5 36.57 73.139 0.387 3.8 12 18.9 5.6
102 2 4 3 36.683 73.365 0.388 3.78 12 66.9 69.4
103 4 2 3 36.683 73.365 0.388 3.78 12 33.8 17.8
104 6 0 2 36.975 73.951 0.39 3.72 12 34.9 18.6
105 2 3 4 37.404 74.809 0.394 3.65 12 52.7 41.6
106 3 2 4 37.404 74.809 0.394 3.65 12 0.3 0.0
107 3 4 2 37.488 74.977 0.395 3.63 12 83.6 104.2
108 4 3 2 37.488 74.977 0.395 3.63 12 25.4 9.6
109 1 6 0 37.516 75.033 0.395 3.63 6 30.8 7.1
110 6 1 0 37.516 75.033 0.395 3.63 6 41.9 13.1
111 1 2 5 38.107 76.214 0.401 3.53 12 42.0 25.5
112 2 1 5 38.107 76.214 0.401 3.53 12 68.9 68.9
113 1 5 3 38.218 76.437 0.402 3.51 12 21.1 6.4
114 5 1 3 38.218 76.437 0.402 3.51 12 77.0 85.4
115 1 6 1 38.274 76.548 0.402 3.5 12 19.7 5.6
116 6 1 1 38.274 76.548 0.402 3.5 12 9.5 1.3
117 1 4 4 38.424 76.847 0.403 3.48 12 49.9 35.6
118 4 1 4 38.424 76.847 0.403 3.48 12 43.5 27.0
119 2 5 2 38.507 77.014 0.404 3.46 12 86.1 105.4
120 5 2 2 38.507 77.014 0.404 3.46 12 20.7 6.1
121 3 0 5 39.12 78.241 0.41 3.37 12 13.4 2.5
122 4 4 0 40.047 80.095 0.418 3.25 6 87.2 50.7
123 5 0 4 40.439 80.877 0.421 3.2 12 9.1 1.1
124 1 6 2 40.521 81.042 0.422 3.19 12 19.4 5.0
125 6 1 2 40.521 81.042 0.422 3.19 12 10.0 1.3
126 3 5 0 40.548 81.097 0.422 3.19 6 41.3 11.2
127 5 3 0 40.548 81.097 0.422 3.19 6 8.4 0.5
128 7 0 0 40.548 81.097 0.422 3.19 6 18.3 2.2
129 2 2 5 40.627 81.254 0.423 3.18 12 10.1 1.3
130 6 0 3 40.737 81.473 0.424 3.17 12 19.9 5.2
131 4 4 1 40.791 81.583 0.424 3.16 12 41.7 22.6
132 1 3 5 41.126 82.253 0.427 3.12 12 32.1 13.2
133 3 1 5 41.126 82.253 0.427 3.12 12 6.9 0.6
134 3 4 3 41.236 82.471 0.428 3.11 12 2.0 0.0
135 4 3 3 41.236 82.471 0.428 3.11 12 74.2 70.4
136 3 5 1 41.29 82.581 0.428 3.11 12 15.8 3.2
137 5 3 1 41.29 82.581 0.428 3.11 12 7.9 0.8
138 7 0 1 41.29 82.581 0.428 3.11 12 3.9 0.2
139 3 3 4 41.437 82.874 0.43 3.09 12 32.8 13.7
140 2 4 4 41.935 83.869 0.434 3.04 12 70.2 61.7
141 4 2 4 41.935 83.869 0.434 3.04 12 58.8 43.2
142 2 6 0 42.043 84.087 0.435 3.03 6 24.7 3.8
143 6 2 0 42.043 84.087 0.435 3.03 6 8.0 0.4
144 2 5 3 42.231 84.461 0.436 3.02 12 16.6 3.4
145 5 2 3 42.231 84.461 0.436 3.02 12 41.7 21.6
146 4 0 5 42.618 85.236 0.44 2.98 12 13.1 2.1
147 2 6 1 42.781 85.562 0.441 2.97 12 6.5 0.5
148 6 2 1 42.781 85.562 0.441 2.97 12 23.6 6.8
149 0 0 6 42.791 85.582 0.441 2.97 2 106.9 23.2
150 4 4 2 43.008 86.017 0.443 2.95 12 24.9 7.5
151 1 0 6 43.287 86.573 0.445 2.93 12 4.2 0.2
152 1 5 4 43.422 86.844 0.446 2.92 12 21.3 5.4
153 5 1 4 43.422 86.844 0.446 2.92 12 77.2 71.5
154 3 5 2 43.503 87.007 0.447 2.92 12 77.1 71.2
155 5 3 2 43.503 87.007 0.447 2.92 12 55.8 37.3
156 7 0 2 43.503 87.007 0.447 2.92 12 68.1 55.6
157 2 3 5 44.103 88.206 0.452 2.88 12 58.7 40.7
158 3 2 5 44.103 88.206 0.452 2.88 12 41.5 20.4
159 1 6 3 44.211 88.423 0.453 2.87 12 18.5 4.0
160 6 1 3 44.211 88.423 0.453 2.87 12 9.1 1.0
161 1 1 6 44.276 88.552 0.453 2.87 12 95.1 106.6
162 1 7 0 44.52 89.039 0.455 2.85 6 89.7 47.2
163 7 1 0 44.52 89.039 0.455 2.85 6 48.8 14.0
164 2 0 6 44.77 89.54 0.457 2.84 12 7.4 0.6
165 2 6 2 44.987 89.973 0.459 2.83 12 3.6 0.2
166 6 2 2 44.987 89.973 0.459 2.83 12 44.8 23.4
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 0 0 5.329 10.657 8.29419 198.0 13.2 13.4 5.6
2 1 0 1 8.421 16.841 5.26013 76.3 5.1 5.2 5.6
3 1 1 0 9.257 18.513 4.78865 15.1 1.0 1.0 5.6
4 2 0 0 10.704 21.409 4.14709 19.0 1.3 1.3 5.6
5 1 1 1 11.344 22.689 3.91588 55.0 3.7 3.7 5.6
6 2 0 1 12.564 25.128 3.54106 52.0 3.5 3.5 5.6
7 0 0 2 13.088 26.175 3.40165 512.0 34.2 34.4 5.6
8 1 0 2 14.167 28.334 3.14725 101.5 6.8 6.8 5.6
9 2 1 0 14.224 28.448 3.13491 150.8 10.1 10.1 5.6
10 2 1 1 15.697 31.393 2.84718 1496.4 100.0 100.0 5.6
11 1 1 2 16.127 32.253 2.77318 733.3 49.0 49.0 5.6
12 3 0 0 16.177 32.354 2.76473 1225.8 81.9 81.9 5.6
13 2 0 2 17.03 34.06 2.63006 381.8 25.5 25.5 5.7
14 3 0 1 17.502 35.004 2.56131 58.5 3.9 3.9 5.7
15 2 1 2 19.52 39.041 2.30525 101.9 6.8 6.8 5.7
16 1 3 0 19.563 39.126 2.30039 335.2 22.4 22.2 5.7
17 1 3 1 20.7 41.4 2.17919 116.7 7.8 7.7 5.7
18 4 0 0 21.807 43.614 2.07355 15.4 1.0 1.0 5.7
19 1 1 3 22.075 44.151 2.04956 83.7 5.6 5.5 5.7
20 2 0 3 22.776 45.552 1.98971 47.9 3.2 3.2 5.7
21 2 2 2 23.167 46.334 1.95794 461.4 30.8 30.4 5.7
22 1 3 2 23.843 47.685 1.90557 277.9 18.6 18.3 5.7
23 2 3 0 23.879 47.758 1.90282 80.9 5.4 5.3 5.7
24 2 1 3 24.785 49.571 1.83741 463.8 31.0 30.4 5.7
25 2 3 1 24.856 49.713 1.83249 307.0 20.5 20.1 5.7
26 4 1 0 25.188 50.375 1.80994 212.4 14.2 13.9 5.8
27 4 0 2 25.789 51.578 1.77053 209.4 14.0 13.7 5.8
28 3 0 3 26.06 52.12 1.75338 23.9 1.6 1.6 5.8
29 0 0 4 26.929 53.858 1.70082 224.2 15.0 14.6 5.8
30 1 0 4 27.536 55.073 1.66615 39.9 2.7 2.6 5.8
31 3 2 2 27.635 55.27 1.66066 116.8 7.8 7.6 5.8
32 3 1 3 28.487 56.975 1.61496 103.0 6.9 6.7 5.8
33 5 0 1 28.552 57.104 1.61162 33.0 2.2 2.1 5.8
34 4 1 2 28.821 57.642 1.59784 21.8 1.5 1.4 5.8
35 3 3 0 28.853 57.706 1.59622 30.5 2.0 2.0 5.8
36 2 4 0 29.434 58.868 1.56745 65.0 4.3 4.2 5.8
37 3 3 1 29.714 59.428 1.55402 42.1 2.8 2.7 5.8
38 2 4 1 30.285 60.569 1.52744 82.2 5.5 5.3 5.8
39 1 2 4 31.014 62.028 1.49497 100.6 6.7 6.5 5.8
40 5 0 2 31.106 62.212 1.491 126.9 8.5 8.2 5.8
41 5 1 0 31.136 62.273 1.48968 27.3 1.8 1.8 5.8
42 3 2 3 31.9 63.8 1.45766 97.1 6.5 6.2 5.9
43 5 1 1 31.96 63.92 1.4552 189.3 12.7 12.2 5.9
44 3 0 4 32.122 64.244 1.44865 128.4 8.6 8.3 5.9
45 3 3 2 32.212 64.424 1.44503 16.6 1.1 1.1 5.9
46 4 2 2 32.757 65.515 1.42359 28.8 1.9 1.8 5.9
47 3 4 0 34.396 68.791 1.36356 53.6 3.6 3.4 5.9
48 4 3 1 35.18 70.359 1.33697 62.2 4.2 4.0 5.9
49 5 2 0 35.449 70.897 1.32813 88.9 5.9 5.6 5.9
50 5 2 1 36.222 72.445 1.30353 26.1 1.7 1.7 5.9
51 2 4 3 36.683 73.365 1.28942 87.2 5.8 5.5 6.0
52 6 0 2 36.975 73.951 1.28066 18.6 1.2 1.2 6.0
53 2 3 4 37.404 74.809 1.26809 41.6 2.8 2.6 6.0
54 3 4 2 37.488 74.977 1.26566 134.0 9.0 8.4 6.0
55 2 1 5 38.107 76.214 1.24816 94.4 6.3 5.9 6.0
56 5 1 3 38.218 76.437 1.24508 91.8 6.1 5.8 6.0
57 1 4 4 38.424 76.847 1.23945 62.6 4.2 3.9 6.0
58 2 5 2 38.507 77.014 1.23718 111.5 7.4 7.0 6.0
59 4 4 0 40.047 80.095 1.19716 50.7 3.4 3.2 6.0
60 3 5 0 40.548 81.097 1.18488 20.1 1.3 1.3 6.1
61 4 4 1 40.791 81.583 1.17905 22.6 1.5 1.4 6.1
62 4 3 3 41.236 82.471 1.16858 70.4 4.7 4.4 6.1
63 2 4 4 41.935 83.869 1.15263 104.9 7.0 6.5 6.1
64 5 2 3 42.231 84.461 1.14605 25.0 1.7 1.5 6.1
65 0 0 6 42.791 85.582 1.13388 30.1 2.0 1.8 6.1
66 5 1 4 43.422 86.844 1.12062 76.9 5.1 4.7 6.1
67 3 5 2 43.503 87.007 1.11895 164.1 11.0 10.1 6.1
68 2 3 5 44.103 88.206 1.1068 61.1 4.1 3.7 6.2
69 1 1 6 44.276 88.552 1.10337 106.6 7.1 6.5 6.2
70 1 7 0 44.52 89.039 1.09859 61.2 4.1 3.7 6.2
71 6 2 2 44.987 89.973 1.08959 23.4 1.6 1.4 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)
|