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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NATROPHILITE
1, f-natrophilite
NaMn[PO(4)]
Orthorhombic P nam Z = 4
R =0.055 NR =789
4 .6 .1990
Ref.Str.:
P.B.Moore (1972)
* Amer. Mineral., 57, 1333-1344
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 10.523 alpha = 90.0
b = 4.987 beta = 90.0
c = 6.312 gamma = 90.0
Unit cell volume (cub. angs.) = 331.24
Molar volume ( cub.cm/mol.) = 49.88
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.0 0.0 0.0 1.18 Na = 1.00
2 0.2847 0.9935 0.25 0.55 Mn = 0.93, Fe = 0.07
3 0.1068 0.44 0.25 0.47 P = 1.00
4 0.1131 0.7471 0.25 0.74 O = 1.00
5 0.4687 0.1605 0.25 0.74 O = 1.00
6 0.1755 0.3114 0.0568 0.74 O = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.0 0.0 0.0
2 2 0.2847 0.9935 0.25
3 3 0.1068 0.44 0.25
4 4 0.1131 0.7471 0.25
5 5 0.4687 0.1605 0.25
6 6 0.1755 0.3114 0.0568
7 2 0.7153 0.0065 0.75
8 3 0.8932 0.56 0.75
9 4 0.8869 0.2529 0.75
10 5 0.5313 0.8395 0.75
11 6 0.8245 0.6886 0.9432
12 1 0.5 0.5 0.0
13 2 0.7847 0.5065 0.25
14 3 0.6068 0.06 0.25
15 4 0.6131 0.7529 0.25
16 5 0.9687 0.3395 0.25
17 6 0.6755 0.1886 0.0568
18 2 0.2153 0.4935 0.75
19 3 0.3932 0.94 0.75
20 4 0.3869 0.2471 0.75
21 5 0.0313 0.6605 0.75
22 6 0.3245 0.8114 0.9432
23 1 0.0 0.0 0.5
24 6 0.8245 0.6886 0.5568
25 6 0.1755 0.3114 0.4432
26 1 0.5 0.5 0.5
27 6 0.3245 0.8114 0.5568
28 6 0.6755 0.1886 0.4432
X-ray density (g/cm cub.) = 3.47
MU (1/cm) = 390.662 Mass attenuation coefficient (cm**2/g) = 112.675
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Na 2.808 6
2.3446 4
2.4394 6
2.3446 4
2.4394 6
2.3378 5
2.3378 5
2 Mn ,Fe 2.724 6
2.1841 4
2.1078 5
2.3067 6
2.1795 6
2.3067 6
2.1795 6
3 P 2.232 4
1.5329 4
1.556 6
1.5372 5
1.556 6
4 O 3.264 7
3.1365 6
2.5767 6
2.5379 5
2.9668 6
3.1365 6
2.5767 6
2.9668 6
5 O 3.264 5
2.5379 4
2.4985 6
3.0139 6
3.0139 6
2.4985 6
6 O 3.264 8
2.5767 4
3.1365 4
2.4985 5
2.9668 4
3.0139 5
3.0315 6
3.0315 6
2.439 6
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 2 0 0 8.418 16.837 0.095 90.37 2 32.1 169.9
2 1 1 0 9.842 19.683 0.111 65.54 4 43.1 443.4
3 2 0 1 10.987 21.975 0.124 52.16 4 45.7 396.6
4 0 1 1 11.353 22.706 0.128 48.72 4 28.4 143.3
5 1 1 1 12.123 24.247 0.136 42.47 8 48.2 720.3
6 2 1 0 12.287 24.575 0.138 41.29 4 23.6 83.9
7 0 0 2 14.127 28.254 0.158 30.74 2 102.2 585.2
8 2 1 1 14.201 28.402 0.159 30.4 8 13.0 37.3
9 3 1 0 15.574 31.148 0.174 24.95 4 105.6 1013.7
10 2 0 2 16.535 33.071 0.185 21.92 4 45.9 168.1
11 4 0 0 17.026 34.051 0.19 20.57 2 23.1 20.1
12 3 1 1 17.152 34.305 0.191 20.24 8 87.0 1117.4
13 1 1 2 17.336 34.671 0.193 19.78 8 85.8 1062.8
14 0 2 0 17.994 35.988 0.201 18.23 2 72.0 172.1
15 4 0 1 18.494 36.989 0.206 17.17 4 49.7 154.9
16 1 2 0 18.51 37.02 0.206 17.13 4 45.8 130.9
17 2 1 2 18.894 37.788 0.21 16.37 8 36.1 155.9
18 4 1 0 19.332 38.664 0.215 15.57 4 51.5 150.3
19 1 2 1 19.884 39.768 0.221 14.62 8 42.2 190.3
20 2 2 0 19.99 39.979 0.222 14.45 4 19.1 19.3
21 4 1 1 20.66 41.32 0.229 13.43 8 12.5 15.2
22 3 1 2 21.274 42.549 0.236 12.58 8 7.1 4.6
23 2 2 1 21.283 42.567 0.236 12.56 8 24.9 56.9
24 3 2 0 22.273 44.545 0.246 11.34 4 4.7 0.9
25 4 0 2 22.407 44.814 0.247 11.19 4 16.8 11.5
26 0 2 2 23.185 46.37 0.256 10.36 4 56.6 121.1
27 2 0 3 23.222 46.443 0.256 10.32 4 5.9 1.3
28 5 1 0 23.407 46.813 0.258 10.14 4 9.9 3.6
29 0 1 3 23.413 46.825 0.258 10.13 4 21.2 16.5
30 3 2 1 23.464 46.928 0.258 10.08 8 2.4 0.4
31 1 2 2 23.606 47.212 0.26 9.95 8 0.3 0.0
32 1 1 3 23.831 47.662 0.262 9.73 8 53.0 199.7
33 4 1 2 24.286 48.572 0.267 9.33 8 11.7 9.3
34 5 1 1 24.556 49.111 0.27 9.09 8 47.0 146.5
35 2 2 2 24.837 49.674 0.273 8.86 8 97.8 618.3
36 2 1 3 25.053 50.107 0.275 8.69 8 32.4 66.3
37 4 2 0 25.19 50.381 0.276 8.58 4 61.4 117.9
38 6 0 0 26.053 52.105 0.285 7.95 2 18.4 4.9
39 4 2 1 26.281 52.562 0.287 7.79 8 65.1 240.5
40 3 2 2 26.795 53.59 0.293 7.45 8 11.8 7.6
41 3 1 3 27.0 54.001 0.295 7.33 8 73.2 286.0
42 6 0 1 27.119 54.238 0.296 7.25 4 108.7 312.5
43 6 1 0 27.747 55.494 0.302 6.89 4 3.7 0.4
44 5 1 2 27.791 55.581 0.303 6.86 8 43.6 95.3
45 4 0 3 27.956 55.911 0.304 6.77 4 78.5 152.2
46 1 3 0 27.977 55.954 0.305 6.76 4 29.3 21.1
47 5 2 0 28.616 57.232 0.311 6.42 4 28.1 18.5
48 0 3 1 28.631 57.263 0.311 6.41 4 35.8 29.9
49 6 1 1 28.77 57.54 0.312 6.34 8 13.1 7.9
50 1 2 3 28.985 57.97 0.315 6.24 8 21.4 20.7
51 1 3 1 28.995 57.99 0.315 6.23 8 52.0 122.8
52 2 3 0 29.075 58.149 0.315 6.19 4 36.6 30.2
53 0 0 4 29.218 58.436 0.317 6.13 2 146.8 240.6
54 4 2 2 29.383 58.765 0.318 6.05 8 4.9 1.1
55 4 1 3 29.576 59.152 0.32 5.96 8 16.9 12.5
56 5 2 1 29.62 59.24 0.321 5.94 8 13.4 7.8
57 2 2 3 30.059 60.118 0.325 5.75 8 2.7 0.3
58 2 3 1 30.069 60.137 0.325 5.74 8 18.8 14.8
59 6 0 2 30.163 60.326 0.326 5.7 4 79.3 130.8
60 2 0 4 30.638 61.277 0.331 5.51 4 6.3 0.8
61 3 3 0 30.849 61.698 0.333 5.43 4 47.6 44.9
62 1 1 4 31.144 62.289 0.336 5.31 8 20.3 15.9
63 6 1 2 31.713 63.426 0.341 5.11 8 11.5 4.9
64 3 2 3 31.8 63.6 0.342 5.07 8 19.6 14.2
65 3 3 1 31.809 63.619 0.342 5.07 8 62.1 142.7
66 1 3 2 31.925 63.85 0.343 5.03 8 39.0 55.8
67 2 1 4 32.175 64.35 0.346 4.95 8 2.2 0.2
68 7 1 0 32.356 64.711 0.347 4.89 4 71.9 92.1
69 6 2 0 32.477 64.954 0.349 4.85 4 20.3 7.3
70 5 2 2 32.517 65.033 0.349 4.84 8 2.6 0.2
71 5 1 3 32.699 65.398 0.351 4.78 8 30.1 31.5
72 2 3 2 32.943 65.885 0.353 4.7 8 48.6 81.0
73 4 3 0 33.239 66.477 0.356 4.61 4 20.1 6.8
74 7 1 1 33.292 66.584 0.356 4.6 8 30.2 30.6
75 6 2 1 33.412 66.823 0.357 4.56 8 52.4 91.3
76 3 1 4 33.855 67.711 0.362 4.44 8 60.0 116.4
77 4 2 3 34.154 68.308 0.364 4.36 8 33.6 35.9
78 4 3 1 34.163 68.326 0.365 4.36 8 38.6 47.4
79 3 3 2 34.604 69.207 0.369 4.24 8 41.2 52.5
80 4 0 4 34.696 69.391 0.369 4.22 4 21.0 6.8
81 6 0 3 34.874 69.748 0.371 4.18 4 100.1 152.5
82 0 2 4 35.287 70.574 0.375 4.08 4 71.7 76.3
83 1 2 4 35.612 71.224 0.378 4.0 8 16.4 7.9
84 8 0 0 35.845 71.69 0.38 3.95 2 20.2 3.0
85 7 1 2 36.029 72.059 0.382 3.91 8 28.4 23.1
86 4 1 4 36.143 72.286 0.383 3.89 8 9.8 2.7
87 6 2 2 36.145 72.289 0.383 3.89 8 31.0 27.3
88 5 3 0 36.191 72.382 0.383 3.88 4 10.7 1.6
89 0 3 3 36.196 72.392 0.383 3.88 4 42.1 25.1
90 6 1 3 36.318 72.636 0.384 3.85 8 15.4 6.7
91 1 3 3 36.517 73.035 0.386 3.81 8 20.2 11.3
92 2 2 4 36.579 73.159 0.387 3.8 8 23.5 15.3
93 8 0 1 36.739 73.479 0.388 3.77 4 10.0 1.4
94 7 2 0 36.749 73.499 0.388 3.77 4 14.5 2.9
95 4 3 2 36.871 73.742 0.389 3.74 8 3.3 0.3
96 5 2 3 37.073 74.147 0.391 3.71 8 27.0 19.8
97 5 3 1 37.082 74.164 0.391 3.7 8 9.8 2.6
98 8 1 0 37.274 74.548 0.393 3.67 4 1.9 0.1
99 2 3 3 37.476 74.951 0.395 3.63 8 9.4 2.3
100 7 2 1 37.635 75.271 0.396 3.61 8 6.0 1.0
101 8 1 1 38.155 76.311 0.401 3.52 8 7.9 1.6
102 0 4 0 38.158 76.316 0.401 3.52 2 70.3 31.7
103 3 2 4 38.171 76.341 0.401 3.52 8 8.9 2.0
104 1 4 0 38.473 76.947 0.404 3.47 4 8.2 0.9
105 2 0 5 38.865 77.73 0.407 3.41 4 32.1 12.8
106 5 1 4 39.003 78.005 0.409 3.39 8 0.4 0.0
107 0 1 5 39.007 78.014 0.409 3.39 4 26.2 8.5
108 3 3 3 39.054 78.108 0.409 3.38 8 49.1 59.5
109 1 1 5 39.321 78.641 0.411 3.34 8 21.3 11.1
110 1 4 1 39.346 78.693 0.412 3.34 8 10.1 2.5
111 8 0 2 39.377 78.755 0.412 3.34 4 13.5 2.2
112 2 4 0 39.415 78.831 0.412 3.33 4 26.6 8.6
113 6 3 0 39.676 79.352 0.414 3.3 4 27.9 9.3
114 5 3 2 39.712 79.425 0.415 3.29 8 50.1 60.2
115 7 2 2 40.254 80.508 0.419 3.22 8 38.8 35.4
116 2 1 5 40.257 80.514 0.419 3.22 8 0.5 0.0
117 2 4 1 40.283 80.565 0.42 3.22 8 3.9 0.4
118 4 2 4 40.364 80.728 0.42 3.21 8 34.2 27.4
119 7 1 3 40.422 80.844 0.421 3.2 8 36.4 30.9
120 6 2 3 40.533 81.066 0.422 3.19 8 40.7 38.6
121 6 3 1 40.542 81.083 0.422 3.19 8 21.4 10.6
122 8 1 2 40.765 81.53 0.424 3.16 8 20.8 9.9
123 3 4 0 40.972 81.945 0.426 3.14 4 27.9 8.9
124 6 0 4 41.044 82.088 0.426 3.13 4 9.8 1.1
125 4 3 3 41.235 82.47 0.428 3.11 8 36.8 30.7
126 8 2 0 41.459 82.918 0.43 3.09 4 25.3 7.2
127 0 4 2 41.628 83.256 0.431 3.07 4 30.4 10.4
128 3 1 5 41.807 83.614 0.433 3.06 8 53.2 63.0
129 3 4 1 41.833 83.665 0.433 3.05 8 7.6 1.3
130 1 4 2 41.937 83.874 0.434 3.04 8 39.0 33.7
131 8 2 1 42.317 84.634 0.437 3.01 8 32.3 22.9
132 6 1 4 42.42 84.84 0.438 3.0 8 4.2 0.4
133 9 1 0 42.583 85.167 0.439 2.99 4 40.1 17.5
134 4 0 5 42.593 85.186 0.439 2.99 4 22.5 5.5
135 1 3 4 42.611 85.222 0.439 2.99 8 9.0 1.7
136 2 4 2 42.862 85.724 0.442 2.96 8 56.9 70.1
137 6 3 2 43.118 86.236 0.444 2.95 8 21.8 10.2
138 4 4 0 43.133 86.267 0.444 2.94 4 27.5 8.1
139 5 2 4 43.146 86.292 0.444 2.94 8 10.6 2.4
140 9 1 1 43.439 86.877 0.446 2.92 8 3.6 0.3
141 1 2 5 43.458 86.915 0.446 2.92 8 27.6 16.2
142 2 3 4 43.534 87.068 0.447 2.92 8 33.9 24.5
143 8 0 3 43.679 87.358 0.448 2.91 4 4.7 0.2
144 7 3 0 43.697 87.394 0.448 2.9 4 60.8 39.2
145 4 1 5 43.963 87.925 0.451 2.89 8 0.6 0.0
146 4 4 1 43.988 87.976 0.451 2.89 8 38.2 30.7
147 5 3 3 44.009 88.017 0.451 2.88 8 23.6 11.8
148 2 2 5 44.379 88.759 0.454 2.86 8 15.8 5.2
149 3 4 2 44.399 88.798 0.454 2.86 8 21.2 9.4
150 7 2 3 44.542 89.084 0.455 2.85 8 3.0 0.2
151 7 3 1 44.551 89.101 0.455 2.85 8 6.0 0.8
152 8 2 2 44.881 89.762 0.458 2.83 8 25.8 13.7
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 2 0 0 8.418 16.837 5.2615 169.9 15.2 15.4 5.6
2 1 1 0 9.842 19.683 4.50654 443.4 39.7 40.1 5.6
3 2 0 1 10.987 21.975 4.04152 396.6 35.5 35.8 5.6
4 0 1 1 11.353 22.706 3.91305 143.3 12.8 12.9 5.6
5 1 1 1 12.123 24.247 3.66768 720.3 64.5 65.0 5.6
6 2 1 0 12.287 24.575 3.61949 83.9 7.5 7.6 5.6
7 0 0 2 14.127 28.254 3.156 585.2 52.4 52.6 5.6
8 2 1 1 14.201 28.402 3.13989 37.3 3.3 3.4 5.6
9 3 1 0 15.574 31.148 2.86905 1013.7 90.7 91.0 5.6
10 2 0 2 16.535 33.071 2.70645 168.1 15.0 15.1 5.6
11 4 0 0 17.026 34.051 2.63075 20.1 1.8 1.8 5.7
12 3 1 1 17.152 34.305 2.6119 1117.4 100.0 100.0 5.7
13 1 1 2 17.336 34.671 2.58511 1062.8 95.1 95.1 5.7
14 0 2 0 17.994 35.988 2.4935 172.1 15.4 15.4 5.7
15 4 0 1 18.494 36.989 2.42828 285.8 25.6 25.5 5.7
16 2 1 2 18.894 37.788 2.37873 155.9 14.0 13.9 5.7
17 4 1 0 19.332 38.664 2.32684 150.3 13.5 13.4 5.7
18 1 2 1 19.884 39.768 2.26475 190.3 17.0 16.9 5.7
19 2 2 0 19.99 39.979 2.25327 19.3 1.7 1.7 5.7
20 4 1 1 20.66 41.32 2.18322 15.2 1.4 1.4 5.7
21 2 2 1 21.283 42.567 2.12211 61.5 5.5 5.5 5.7
22 4 0 2 22.407 44.814 2.02076 11.5 1.0 1.0 5.7
23 0 2 2 23.185 46.37 1.95653 121.1 10.8 10.7 5.7
24 0 1 3 23.413 46.825 1.93853 20.2 1.8 1.8 5.7
25 1 1 3 23.831 47.662 1.90646 199.7 17.9 17.6 5.7
26 5 1 1 24.556 49.111 1.85352 146.5 13.1 12.9 5.7
27 2 2 2 24.837 49.674 1.83384 618.3 55.3 54.5 5.7
28 2 1 3 25.053 50.107 1.819 66.3 5.9 5.8 5.7
29 4 2 0 25.19 50.381 1.80975 117.9 10.5 10.4 5.8
30 4 2 1 26.281 52.562 1.73965 240.5 21.5 21.1 5.8
31 3 1 3 27.0 54.001 1.69667 286.0 25.6 25.0 5.8
32 6 0 1 27.119 54.238 1.68982 312.5 28.0 27.4 5.8
33 5 1 2 27.791 55.581 1.6521 95.3 8.5 8.3 5.8
34 4 0 3 27.956 55.911 1.64313 173.3 15.5 15.1 5.8
35 0 3 1 28.631 57.263 1.60752 48.4 4.3 4.2 5.8
36 1 3 1 28.995 57.99 1.58909 143.6 12.8 12.5 5.8
37 2 3 0 29.075 58.149 1.5851 30.2 2.7 2.6 5.8
38 0 0 4 29.218 58.436 1.578 240.6 21.5 20.9 5.8
39 4 1 3 29.576 59.152 1.5606 12.5 1.1 1.1 5.8
40 2 3 1 30.069 60.137 1.53737 14.8 1.3 1.3 5.8
41 6 0 2 30.163 60.326 1.53302 130.8 11.7 11.4 5.8
42 3 3 0 30.849 61.698 1.50218 44.9 4.0 3.9 5.8
43 1 1 4 31.144 62.289 1.48934 15.9 1.4 1.4 5.8
44 3 3 1 31.809 63.619 1.46137 156.9 14.0 13.6 5.9
45 1 3 2 31.925 63.85 1.45662 55.8 5.0 4.8 5.9
46 7 1 0 32.356 64.711 1.43931 92.1 8.2 7.9 5.9
47 5 1 3 32.699 65.398 1.42585 31.5 2.8 2.7 5.9
48 2 3 2 32.943 65.885 1.41648 81.0 7.2 7.0 5.9
49 7 1 1 33.292 66.584 1.40329 30.6 2.7 2.6 5.9
50 6 2 1 33.412 66.823 1.39886 91.3 8.2 7.8 5.9
51 3 1 4 33.855 67.711 1.38266 116.4 10.4 10.0 5.9
52 4 3 1 34.163 68.326 1.3717 83.3 7.5 7.1 5.9
53 3 3 2 34.604 69.207 1.35637 52.5 4.7 4.5 5.9
54 6 0 3 34.874 69.748 1.34717 152.5 13.6 13.0 5.9
55 0 2 4 35.287 70.574 1.33342 76.3 6.8 6.5 5.9
56 7 1 2 36.029 72.059 1.30956 23.1 2.1 2.0 5.9
57 6 2 2 36.145 72.289 1.30595 30.0 2.7 2.6 5.9
58 0 3 3 36.196 72.392 1.30435 26.7 2.4 2.3 5.9
59 1 3 3 36.517 73.035 1.29444 11.3 1.0 1.0 6.0
60 2 2 4 36.579 73.159 1.29256 15.3 1.4 1.3 6.0
61 5 2 3 37.073 74.147 1.27775 22.4 2.0 1.9 6.0
62 3 2 4 38.171 76.341 1.2464 35.3 3.2 3.0 6.0
63 2 0 5 38.865 77.73 1.22756 12.8 1.1 1.1 6.0
64 3 3 3 39.054 78.108 1.22256 59.5 5.3 5.0 6.0
65 1 1 5 39.321 78.641 1.21561 13.6 1.2 1.1 6.0
66 5 3 2 39.712 79.425 1.20557 60.2 5.4 5.0 6.0
67 7 2 2 40.254 80.508 1.19205 35.8 3.2 3.0 6.1
68 4 2 4 40.364 80.728 1.18936 27.4 2.5 2.3 6.1
69 7 1 3 40.422 80.844 1.18795 30.9 2.8 2.6 6.1
70 6 2 3 40.533 81.066 1.18525 49.2 4.4 4.1 6.1
71 4 3 3 41.235 82.47 1.1686 30.7 2.7 2.6 6.1
72 3 1 5 41.807 83.614 1.15549 64.3 5.8 5.3 6.1
73 1 4 2 41.937 83.874 1.15257 33.7 3.0 2.8 6.1
74 8 2 1 42.317 84.634 1.14415 22.9 2.1 1.9 6.1
75 9 1 0 42.583 85.167 1.13835 24.7 2.2 2.0 6.1
76 2 4 2 42.862 85.724 1.13238 70.1 6.3 5.8 6.1
77 6 3 2 43.118 86.236 1.12696 20.8 1.9 1.7 6.1
78 1 2 5 43.458 86.915 1.11989 16.2 1.4 1.3 6.1
79 2 3 4 43.534 87.068 1.11832 24.5 2.2 2.0 6.1
80 7 3 0 43.697 87.394 1.11498 39.2 3.5 3.2 6.2
81 4 4 1 43.988 87.976 1.10911 42.4 3.8 3.5 6.2
82 3 4 2 44.399 88.798 1.10095 14.6 1.3 1.2 6.2
83 8 2 2 44.881 89.762 1.09161 13.7 1.2 1.1 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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