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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SATTERLYITE
1, f-apatite, g-satterlyite
(Fe,Mg)(12)[PO(3)OH][PO(4)](5)(OH,O)(6)
Hexagonal P 31m Z = 1
P31m
16 .12 .1904
Ref.Str.:
Kolitsch U., Andrut M., Giester G. (2002)
* Eur. J. Mineral., 14, 127-133
Reserv:
N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 11.355 alpha = 90.0
b = 11.355 beta = 90.0
c = 5.0394 gamma = 120.0
Unit cell volume (cub. angs.) = 562.71
Molar volume ( cub.cm/mol.) = 338.94
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.3292 0.8508 0.011 0.0 Fe = 0.84, Mg = 0.16
2 0.1751 0.8538 0.5044 0.0 Fe = 0.71, Mg = 0.29
3 0.0 0.0 0.2783 0.0 P = 1.00
4 0.3333 0.6667 0.5273 0.0 P = 1.00
5 0.3414 0.3414 0.9778 0.0 P = 1.00
6 0.8724 0.8724 0.3697 0.0 O = 1.00
7 0.2763 0.7546 0.6355 0.0 O = 1.00
8 0.2683 0.2683 0.7203 0.0 O = 1.00
9 0.1272 0.7502 0.1427 0.0 O = 1.00
10 0.4733 0.4733 0.9051 0.0 O = 1.00
11 0.3333 0.6667 0.2187 0.0 O = 1.00
12 0.6262 0.6262 0.325 0.0 OH = 1.00
13 0.7234 0.7234 0.8162 0.0 OH = 1.00
14 0.0 0.0 0.9695 0.0 OH = 1.00
15 0.563 0.563 0.416 0.0 H = 1.00
16 0.805 0.805 0.904 0.0 H = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.3292 0.8508 0.011
2 2 0.1751 0.8538 0.5044
3 3 0.0 0.0 0.2783
4 4 0.3333 0.6667 0.5273
5 5 0.3414 0.3414 0.9778
6 6 0.8724 0.8724 0.3697
7 7 0.2763 0.7546 0.6355
8 8 0.2683 0.2683 0.7203
9 9 0.1272 0.7502 0.1427
10 10 0.4733 0.4733 0.9051
11 11 0.3333 0.6667 0.2187
12 12 0.6262 0.6262 0.325
13 13 0.7234 0.7234 0.8162
14 14 0.0 0.0 0.9695
15 15 0.563 0.563 0.416
16 16 0.805 0.805 0.904
17 1 0.1492 0.4784 0.011
18 1 0.5216 0.6708 0.011
19 2 0.1462 0.3213 0.5044
20 2 0.6787 0.8249 0.5044
21 5 0.6586 0.0 0.9778
22 5 0.0 0.6586 0.9778
23 6 0.1276 0.0 0.3697
24 6 0.0 0.1276 0.3697
25 7 0.2454 0.5217 0.6355
26 7 0.4783 0.7237 0.6355
27 8 0.7317 0.0 0.7203
28 8 0.0 0.7317 0.7203
29 9 0.2498 0.3769 0.1427
30 9 0.6231 0.8728 0.1427
31 10 0.5267 0.0 0.9051
32 10 0.0 0.5267 0.9051
33 12 0.3738 0.0 0.325
34 12 0.0 0.3738 0.325
35 13 0.2766 0.0 0.8162
36 13 0.0 0.2766 0.8162
37 15 0.437 0.0 0.416
38 15 0.0 0.437 0.416
39 16 0.195 0.0 0.904
40 16 0.0 0.195 0.904
41 1 0.8508 0.3292 0.011
42 2 0.8538 0.1751 0.5044
43 4 0.6667 0.3333 0.5273
44 7 0.7546 0.2763 0.6355
45 9 0.7502 0.1272 0.1427
46 11 0.6667 0.3333 0.2187
47 1 0.4784 0.1492 0.011
48 1 0.6708 0.5216 0.011
49 2 0.3213 0.1462 0.5044
50 2 0.8249 0.6787 0.5044
51 7 0.5217 0.2454 0.6355
52 7 0.7237 0.4783 0.6355
53 9 0.3769 0.2498 0.1427
54 9 0.8728 0.6231 0.1427
X-ray density (g/cm cub.) = 3.73
MU (1/cm) = 180.339 Mass attenuation coefficient (cm**2/g) = 48.41
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Fe ,Mg 2.64 6
2.1161 7
2.0943 9
2.3588 11
2.0943 10
2.1848 12
2.2808 13
2 Fe ,Mg 2.64 6
2.0782 7
2.0882 9
2.0985 6
2.0741 8
2.2181 12
2.1544 13
3 P 2.28 4
1.5205 6
1.5559 14
1.5205 6
1.5205 6
4 P 2.28 4
1.5358 7
1.5553 11
1.5367 7
1.5369 7
5 P 2.28 4
1.5399 8
1.542 10
1.535 9
1.535 9
6 O 3.312 10
2.8047 12
2.8154 13
3.2625 13
2.4833 14
2.5098 6
2.5098 6
3.1764 8
3.1764 8
3.0556 9
3.0556 9
7 O 3.312 11
3.0527 9
2.9922 9
3.2709 11
2.5443 11
2.4881 7
2.4881 7
3.0458 8
3.1259 10
3.2043 10
2.8901 12
2.9295 13
8 O 3.312 12
2.5068 10
3.2955 14
3.1764 6
3.1764 6
3.0457 7
2.5211 9
3.209 9
3.1326 13
3.1326 13
3.0457 7
2.5211 9
3.209 9
9 O 3.312 10
2.9922 7
3.0527 7
2.9572 11
3.0557 6
3.209 8
2.5212 8
2.5094 10
2.9643 12
2.9693 13
2.5013 9
10 O 3.312 9
2.5068 8
2.7371 12
2.8746 13
3.2043 7
3.1258 7
2.5094 9
3.2043 7
3.1258 7
2.5094 9
11 O 3.312 9
2.5443 7
3.2709 7
2.9572 9
2.5448 7
3.2714 7
2.5449 7
3.2714 7
2.9584 9
2.9581 9
12 OH 3.36 8
2.8047 6
2.7371 10
2.7101 13
2.7914 13
2.89 7
2.9643 9
2.89 7
2.9643 9
13 OH 3.36 12
3.2625 6
2.8154 6
2.8746 10
2.7914 12
2.7101 12
3.2348 14
2.9294 7
3.1326 8
3.1326 8
2.9693 9
2.9294 7
2.9693 9
14 OH 3.36 12
2.4833 6
3.352 6
3.2955 8
3.2348 13
2.4833 6
3.352 6
2.4833 6
3.352 6
3.2955 8
3.2955 8
3.2348 13
3.2348 13
15 H 1.68 1
0.8516 12
16 H 1.68 1
1.0272 13
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 1 0 0 5.219 10.438 0.051 238.76 6 12.9 75.5
2 1 1 0 9.064 18.129 0.088 77.65 6 33.7 166.8
3 0 0 1 10.224 20.448 0.099 60.57 2 27.7 29.4
4 2 0 0 10.481 20.963 0.102 57.53 6 56.6 349.2
5 1 0 1 11.504 23.009 0.111 47.39 12 52.7 498.4
6 1 1 -1 13.729 27.458 0.133 32.67 6 35.4 77.6
7 1 1 1 13.729 27.458 0.133 32.67 6 34.4 73.2
8 2 1 0 13.925 27.85 0.135 31.7 12 48.5 282.9
9 2 0 1 14.724 29.448 0.142 28.14 12 84.2 755.6
10 3 0 0 15.835 31.671 0.153 24.07 6 43.4 85.7
11 2 1 -1 17.399 34.799 0.167 19.62 12 61.9 284.9
12 2 1 1 17.399 34.799 0.167 19.62 12 35.5 94.0
13 2 2 0 18.366 36.732 0.176 17.43 6 146.9 713.2
14 3 0 1 18.997 37.994 0.182 16.18 12 16.9 17.6
15 3 1 0 19.145 38.289 0.183 15.91 12 23.8 34.1
16 0 0 2 20.793 41.585 0.198 13.24 2 202.9 344.3
17 2 2 -1 21.201 42.402 0.202 12.67 6 171.3 704.7
18 2 2 1 21.201 42.402 0.202 12.67 6 189.1 859.0
19 4 0 0 21.336 42.672 0.203 12.49 6 10.3 2.5
20 1 0 2 21.497 42.994 0.205 12.29 12 43.8 89.2
21 3 1 -1 21.895 43.79 0.208 11.79 12 42.2 79.6
22 3 1 1 21.895 43.79 0.208 11.79 12 41.2 75.9
23 1 1 -2 22.853 45.707 0.217 10.7 6 50.4 51.6
24 1 1 2 22.853 45.707 0.217 10.7 6 43.3 38.1
25 3 2 0 23.358 46.716 0.222 10.19 12 33.8 44.1
26 2 0 2 23.508 47.017 0.223 10.04 12 66.6 168.7
27 4 0 1 23.88 47.76 0.226 9.69 12 74.1 201.7
28 4 1 0 24.634 49.268 0.233 9.03 12 19.6 13.1
29 2 1 -2 25.396 50.792 0.24 8.42 12 32.4 33.6
30 2 1 2 25.396 50.792 0.24 8.42 12 42.0 56.2
31 3 2 -1 25.747 51.494 0.243 8.16 12 41.1 52.3
32 3 2 1 25.747 51.494 0.243 8.16 12 36.0 40.0
33 3 0 2 26.599 53.198 0.25 7.58 12 52.2 78.4
34 4 1 -1 26.939 53.878 0.253 7.36 12 71.5 142.8
35 4 1 1 26.939 53.878 0.253 7.36 12 50.9 72.3
36 5 0 0 27.052 54.103 0.254 7.29 6 52.9 38.7
37 3 3 0 28.205 56.411 0.264 6.63 6 18.2 4.2
38 2 2 -2 28.337 56.674 0.265 6.57 6 114.5 163.1
39 2 2 2 28.337 56.674 0.265 6.57 6 116.9 169.9
40 4 2 0 28.771 57.542 0.269 6.34 12 42.8 44.1
41 3 1 -2 28.901 57.801 0.27 6.28 12 44.3 46.6
42 3 1 2 28.901 57.801 0.27 6.28 12 49.7 58.8
43 5 0 1 29.222 58.445 0.273 6.12 12 31.3 22.8
44 3 3 -1 30.322 60.645 0.282 5.64 6 110.3 130.0
45 3 3 1 30.322 60.645 0.282 5.64 6 97.3 101.2
46 5 1 0 30.427 60.853 0.283 5.59 12 21.7 10.0
47 4 0 2 30.552 61.104 0.284 5.54 12 75.5 119.9
48 4 2 -1 30.863 61.727 0.287 5.42 12 75.2 116.3
49 4 2 1 30.863 61.727 0.287 5.42 12 76.6 120.6
50 3 2 -2 32.153 64.305 0.297 4.95 12 18.7 6.6
51 3 2 2 32.153 64.305 0.297 4.95 12 56.4 59.6
52 0 0 3 32.173 64.346 0.298 4.95 2 34.8 3.8
53 5 1 -1 32.455 64.91 0.3 4.86 12 38.0 26.5
54 5 1 1 32.455 64.91 0.3 4.86 12 54.6 54.8
55 1 0 3 32.697 65.394 0.302 4.78 12 30.0 16.3
56 6 0 0 33.076 66.152 0.305 4.66 6 209.0 385.8
57 4 1 -2 33.196 66.392 0.306 4.63 12 49.4 42.9
58 4 1 2 33.196 66.392 0.306 4.63 12 23.1 9.4
59 4 3 0 33.592 67.184 0.309 4.51 12 76.2 99.2
60 1 1 -3 33.731 67.462 0.31 4.47 6 47.6 19.2
61 1 1 3 33.731 67.462 0.31 4.47 6 20.9 3.7
62 2 0 3 34.243 68.485 0.315 4.33 12 69.0 78.2
63 5 2 0 34.613 69.227 0.318 4.24 12 7.4 0.9
64 6 0 1 35.022 70.044 0.321 4.14 12 22.3 7.8
65 5 0 2 35.235 70.47 0.323 4.09 12 61.2 58.1
66 4 3 -1 35.525 71.049 0.325 4.02 12 59.4 53.8
67 4 3 1 35.525 71.049 0.325 4.02 12 18.6 5.3
68 2 1 -3 35.756 71.512 0.327 3.97 12 49.7 37.2
69 2 1 3 35.756 71.512 0.327 3.97 12 55.9 47.0
70 3 3 -2 36.235 72.47 0.33 3.87 6 40.3 11.9
71 3 3 2 36.235 72.47 0.33 3.87 6 39.9 11.7
72 5 2 -1 36.521 73.042 0.333 3.81 12 15.7 3.6
73 5 2 1 36.521 73.042 0.333 3.81 12 36.0 18.7
74 6 1 0 36.616 73.233 0.333 3.79 12 12.4 2.2
75 4 2 -2 36.731 73.462 0.334 3.77 12 50.2 36.1
76 4 2 2 36.731 73.462 0.334 3.77 12 24.4 8.5
77 3 0 3 36.75 73.5 0.334 3.77 12 29.5 12.4
78 5 1 -2 38.204 76.407 0.346 3.51 12 36.7 17.9
79 5 1 2 38.204 76.407 0.346 3.51 12 25.5 8.6
80 2 2 -3 38.223 76.446 0.346 3.51 6 196.7 257.1
81 2 2 3 38.223 76.446 0.346 3.51 6 169.7 191.3
82 6 1 -1 38.485 76.969 0.348 3.47 12 42.1 23.2
83 6 1 1 38.485 76.969 0.348 3.47 12 43.1 24.3
84 3 1 -3 38.709 77.419 0.35 3.43 12 23.7 7.3
85 3 1 3 38.709 77.419 0.35 3.43 12 18.7 4.6
86 4 4 0 39.063 78.127 0.352 3.38 6 106.8 73.0
87 5 3 0 39.547 79.094 0.356 3.31 12 41.7 21.8
88 7 0 0 39.547 79.094 0.356 3.31 6 54.3 18.5
89 4 0 3 40.159 80.318 0.361 3.23 12 49.3 29.8
90 6 0 2 40.62 81.241 0.364 3.18 12 161.2 313.0
91 4 4 -1 40.897 81.793 0.366 3.15 6 128.4 98.4
92 4 4 1 40.897 81.793 0.366 3.15 6 151.4 136.8
93 6 2 0 40.989 81.978 0.367 3.14 12 25.0 7.4
94 4 3 -2 41.099 82.199 0.367 3.13 12 42.7 21.6
95 4 3 2 41.099 82.199 0.367 3.13 12 42.8 21.7
96 5 3 -1 41.375 82.75 0.369 3.1 12 25.8 7.8
97 5 3 1 41.375 82.75 0.369 3.1 12 36.6 15.7
98 7 0 1 41.375 82.75 0.369 3.1 12 26.0 7.9
99 3 2 -3 41.596 83.192 0.371 3.08 12 35.4 14.6
100 3 2 3 41.596 83.192 0.371 3.08 12 17.7 3.7
101 5 2 -2 42.054 84.109 0.374 3.03 12 39.7 18.1
102 5 2 2 42.054 84.109 0.374 3.03 12 18.6 4.0
103 4 1 -3 42.549 85.098 0.378 2.99 12 34.3 13.4
104 4 1 3 42.549 85.098 0.378 2.99 12 12.3 1.7
105 6 2 -1 42.805 85.609 0.38 2.97 12 55.9 35.2
106 6 2 1 42.805 85.609 0.38 2.97 12 53.1 31.8
107 7 1 0 43.371 86.742 0.384 2.93 12 52.4 30.5
108 6 1 -2 43.955 87.911 0.388 2.89 12 25.2 6.9
109 6 1 2 43.955 87.911 0.388 2.89 12 37.9 15.7
110 5 0 3 44.448 88.897 0.391 2.86 12 14.4 2.2
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 1 0 0 5.219 10.438 9.83372 75.5 4.8 5.0 5.6
2 1 1 0 9.064 18.129 5.6775 166.8 10.7 10.9 5.6
3 0 0 1 10.224 20.448 5.0394 29.4 1.9 1.9 5.6
4 2 0 0 10.481 20.963 4.91686 349.2 22.3 22.7 5.6
5 1 0 1 11.504 23.009 4.4848 498.4 31.9 32.4 5.6
6 1 1 1 13.729 27.458 3.76889 150.8 9.6 9.8 5.6
7 2 1 0 13.925 27.85 3.7168 282.9 18.1 18.3 5.6
8 2 0 1 14.724 29.448 3.51927 755.6 48.3 48.9 5.6
9 3 0 0 15.835 31.671 3.27791 85.7 5.5 5.5 5.6
10 2 1 1 17.399 34.799 2.99122 378.8 24.2 24.4 5.7
11 2 2 0 18.366 36.732 2.83875 713.2 45.6 45.9 5.7
12 3 0 1 18.997 37.994 2.74777 17.6 1.1 1.1 5.7
13 3 1 0 19.145 38.289 2.72738 34.1 2.2 2.2 5.7
14 0 0 2 20.793 41.585 2.5197 344.3 22.0 22.0 5.7
15 2 2 1 21.201 42.402 2.47333 1563.7 100.0 100.0 5.7
16 1 0 2 21.497 42.994 2.44085 89.2 5.7 5.7 5.7
17 3 1 1 21.895 43.79 2.39862 155.4 9.9 9.9 5.7
18 1 1 2 22.853 45.707 2.30308 89.7 5.7 5.7 5.7
19 3 2 0 23.358 46.716 2.25601 44.1 2.8 2.8 5.7
20 2 0 2 23.508 47.017 2.2424 168.7 10.8 10.7 5.7
21 4 0 1 23.88 47.76 2.20953 201.7 12.9 12.8 5.7
22 2 1 2 25.396 50.792 2.08562 89.8 5.7 5.7 5.8
23 3 2 1 25.747 51.494 2.05909 92.3 5.9 5.8 5.8
24 3 0 2 26.599 53.198 1.99769 78.4 5.0 4.9 5.8
25 4 1 1 26.939 53.878 1.97435 215.0 13.8 13.6 5.8
26 5 0 0 27.052 54.103 1.96674 38.7 2.5 2.4 5.8
27 2 2 2 28.337 56.674 1.88444 333.0 21.3 20.9 5.8
28 4 2 0 28.771 57.542 1.8584 44.1 2.8 2.8 5.8
29 3 1 2 28.901 57.801 1.85077 105.5 6.7 6.6 5.8
30 5 0 1 29.222 58.445 1.83216 22.8 1.5 1.4 5.8
31 3 3 1 30.322 60.645 1.77169 231.3 14.8 14.5 5.8
32 4 0 2 30.552 61.104 1.75963 119.9 7.7 7.5 5.8
33 4 2 1 30.863 61.727 1.74362 236.9 15.2 14.8 5.8
34 3 2 2 32.153 64.305 1.68076 70.0 4.5 4.4 5.9
35 5 1 1 32.455 64.91 1.66678 81.3 5.2 5.1 5.9
36 1 0 3 32.697 65.394 1.65582 16.3 1.0 1.0 5.9
37 6 0 0 33.076 66.152 1.63895 385.8 24.7 23.9 5.9
38 4 1 2 33.196 66.392 1.63371 52.2 3.3 3.2 5.9
39 4 3 0 33.592 67.184 1.61665 99.2 6.3 6.1 5.9
40 1 1 3 33.731 67.462 1.61078 22.9 1.5 1.4 5.9
41 2 0 3 34.243 68.485 1.58959 78.2 5.0 4.8 5.9
42 5 0 2 35.235 70.47 1.55037 58.1 3.7 3.6 5.9
43 4 3 1 35.525 71.049 1.53938 59.0 3.8 3.6 5.9
44 2 1 3 35.756 71.512 1.53073 84.2 5.4 5.2 5.9
45 3 3 2 36.235 72.47 1.51321 23.6 1.5 1.4 5.9
46 5 2 1 36.521 73.042 1.50299 22.2 1.4 1.4 6.0
47 4 2 2 36.731 73.462 1.49561 57.0 3.6 3.5 6.0
48 2 2 3 38.223 76.446 1.44566 475.0 30.4 28.9 6.0
49 6 1 1 38.485 76.969 1.43734 47.6 3.0 2.9 6.0
50 4 4 0 39.063 78.127 1.41937 73.0 4.7 4.4 6.0
51 5 3 0 39.547 79.094 1.40482 40.3 2.6 2.4 6.0
52 4 0 3 40.159 80.318 1.38695 29.8 1.9 1.8 6.0
53 6 0 2 40.62 81.241 1.37388 313.0 20.0 18.8 6.1
54 4 4 1 40.897 81.793 1.36622 235.2 15.0 14.1 6.1
55 4 3 2 41.099 82.199 1.36067 43.3 2.8 2.6 6.1
56 7 0 1 41.375 82.75 1.35322 31.5 2.0 1.9 6.1
57 3 2 3 41.596 83.192 1.34733 18.3 1.2 1.1 6.1
58 5 2 2 42.054 84.109 1.33534 22.1 1.4 1.3 6.1
59 6 2 1 42.805 85.609 1.31635 67.0 4.3 4.0 6.1
60 7 1 0 43.371 86.742 1.30251 30.5 2.0 1.8 6.1
61 6 1 2 43.955 87.911 1.28866 22.6 1.4 1.3 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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