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 ***
***********************
GRIPHITE
1, DN
Mn(24)Ca(4)[Fe(0.7)Al(0.13)](4)[Al(0.96)Fe(0.04)](8)[PO(4)](24)F(8)
Cubic P a3 Z = 1
R =0.032 NR =763
11 .1 .1994
Ref.Str.:
Rinaldi R. (1978)
* Bull. Mineral., 101, 543-547
Reserv:
Mn(24) = Mn(14.24)Na(4.13)Li(2.08)Ca(1.66)Fe(1.29)Mg(0.24)
N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 12.205 alpha = 90.0
b = 12.205 beta = 90.0
c = 12.205 gamma = 90.0
Unit cell volume (cub. angs.) = 1818.08
Molar volume ( cub.cm/mol.) = 1095.1
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.0057 0.1208 0.2608 1.33 Mn = 0.6 , Na = 0.13, Li = 0.27
2 0.0 0.0 0.0 1.03 Ca = 1.00
3 0.5 0.5 0.5 1.05 Fe = 0.75, Fe = 0.0
4 0.2846 0.2846 0.2846 0.92 Al = 1.00
5 0.0403 0.3597 0.2352 0.96 P = 1.00
6 0.1145 0.1145 0.1145 1.86 F = 1.00
7 0.1276 0.2848 0.2876 1.17 O = 1.00
8 0.2785 0.4403 0.2828 1.26 O = 1.00
9 0.0782 0.3959 0.1194 1.42 O = 1.00
10 0.0171 0.4604 0.3036 1.56 O = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.0057 0.1208 0.2608
2 2 0.0 0.0 0.0
3 3 0.5 0.5 0.5
4 4 0.2846 0.2846 0.2846
5 5 0.0403 0.3597 0.2352
6 6 0.1145 0.1145 0.1145
7 7 0.1276 0.2848 0.2876
8 8 0.2785 0.4403 0.2828
9 9 0.0782 0.3959 0.1194
10 10 0.0171 0.4604 0.3036
11 1 0.9943 0.8792 0.7392
12 4 0.7154 0.7154 0.7154
13 5 0.9597 0.6403 0.7648
14 6 0.8855 0.8855 0.8855
15 7 0.8724 0.7152 0.7124
16 8 0.7215 0.5597 0.7172
17 9 0.9218 0.6041 0.8806
18 10 0.9829 0.5396 0.6964
19 1 0.4943 0.8792 0.7608
20 2 0.5 0.0 0.5
21 3 0.0 0.5 0.0
22 4 0.2154 0.7154 0.7846
23 5 0.4597 0.6403 0.7352
24 6 0.3855 0.8855 0.6145
25 7 0.3724 0.7152 0.7876
26 8 0.2215 0.5597 0.7828
27 9 0.4218 0.6041 0.6194
28 10 0.4829 0.5396 0.8036
29 1 0.5057 0.1208 0.2392
30 4 0.7846 0.2846 0.2154
31 5 0.5403 0.3597 0.2648
32 6 0.6145 0.1145 0.3855
33 7 0.6276 0.2848 0.2124
34 8 0.7785 0.4403 0.2172
35 9 0.5782 0.3959 0.3806
36 10 0.5171 0.4604 0.1964
37 1 0.4943 0.6208 0.2608
38 2 0.5 0.5 0.0
39 3 0.0 0.0 0.5
40 4 0.2154 0.7846 0.2846
41 5 0.4597 0.8597 0.2352
42 6 0.3855 0.6145 0.1145
43 7 0.3724 0.7848 0.2876
44 8 0.2215 0.9403 0.2828
45 9 0.4218 0.8959 0.1194
46 10 0.4829 0.9604 0.3036
47 1 0.5057 0.3792 0.7392
48 4 0.7846 0.2154 0.7154
49 5 0.5403 0.1403 0.7648
50 6 0.6145 0.3855 0.8855
51 7 0.6276 0.2152 0.7124
52 8 0.7785 0.0597 0.7172
53 9 0.5782 0.1041 0.8806
54 10 0.5171 0.0396 0.6964
55 1 0.0057 0.3792 0.7608
56 2 0.0 0.5 0.5
57 3 0.5 0.0 0.0
58 4 0.2846 0.2154 0.7846
59 5 0.0403 0.1403 0.7352
60 6 0.1145 0.3855 0.6145
61 7 0.1276 0.2152 0.7876
62 8 0.2785 0.0597 0.7828
63 9 0.0782 0.1041 0.6194
64 10 0.0171 0.0396 0.8036
65 1 0.9943 0.6208 0.2392
66 4 0.7154 0.7846 0.2154
67 5 0.9597 0.8597 0.2648
68 6 0.8855 0.6145 0.3855
69 7 0.8724 0.7848 0.2124
70 8 0.7215 0.9403 0.2172
71 9 0.9218 0.8959 0.3806
72 10 0.9829 0.9604 0.1964
73 1 0.1208 0.2608 0.0057
74 1 0.2608 0.0057 0.1208
75 5 0.3597 0.2352 0.0403
76 5 0.2352 0.0403 0.3597
77 7 0.2848 0.2876 0.1276
78 7 0.2876 0.1276 0.2848
79 8 0.4403 0.2828 0.2785
80 8 0.2828 0.2785 0.4403
81 9 0.3959 0.1194 0.0782
82 9 0.1194 0.0782 0.3959
83 10 0.4604 0.3036 0.0171
84 10 0.3036 0.0171 0.4604
85 1 0.8792 0.7392 0.9943
86 1 0.7392 0.9943 0.8792
87 5 0.6403 0.7648 0.9597
88 5 0.7648 0.9597 0.6403
89 7 0.7152 0.7124 0.8724
90 7 0.7124 0.8724 0.7152
91 8 0.5597 0.7172 0.7215
92 8 0.7172 0.7215 0.5597
93 9 0.6041 0.8806 0.9218
94 9 0.8806 0.9218 0.6041
95 10 0.5396 0.6964 0.9829
96 10 0.6964 0.9829 0.5396
97 1 0.8792 0.7608 0.4943
98 1 0.7608 0.4943 0.8792
99 5 0.6403 0.7352 0.4597
100 5 0.7352 0.4597 0.6403
101 7 0.7152 0.7876 0.3724
102 7 0.7876 0.3724 0.7152
103 8 0.5597 0.7828 0.2215
104 8 0.7828 0.2215 0.5597
105 9 0.6041 0.6194 0.4218
106 9 0.6194 0.4218 0.6041
107 10 0.5396 0.8036 0.4829
108 10 0.8036 0.4829 0.5396
109 1 0.1208 0.2392 0.5057
110 1 0.2392 0.5057 0.1208
111 5 0.3597 0.2648 0.5403
112 5 0.2648 0.5403 0.3597
113 7 0.2848 0.2124 0.6276
114 7 0.2124 0.6276 0.2848
115 8 0.4403 0.2172 0.7785
116 8 0.2172 0.7785 0.4403
117 9 0.3959 0.3806 0.5782
118 9 0.3806 0.5782 0.3959
119 10 0.4604 0.1964 0.5171
120 10 0.1964 0.5171 0.4604
121 1 0.6208 0.2608 0.4943
122 1 0.2608 0.4943 0.6208
123 5 0.8597 0.2352 0.4597
124 5 0.2352 0.4597 0.8597
125 7 0.7848 0.2876 0.3724
126 7 0.2876 0.3724 0.7848
127 8 0.9403 0.2828 0.2215
128 8 0.2828 0.2215 0.9403
129 9 0.8959 0.1194 0.4218
130 9 0.1194 0.4218 0.8959
131 10 0.9604 0.3036 0.4829
132 10 0.3036 0.4829 0.9604
133 1 0.3792 0.7392 0.5057
134 1 0.7392 0.5057 0.3792
135 5 0.1403 0.7648 0.5403
136 5 0.7648 0.5403 0.1403
137 7 0.2152 0.7124 0.6276
138 7 0.7124 0.6276 0.2152
139 8 0.0597 0.7172 0.7785
140 8 0.7172 0.7785 0.0597
141 9 0.1041 0.8806 0.5782
142 9 0.8806 0.5782 0.1041
143 10 0.0396 0.6964 0.5171
144 10 0.6964 0.5171 0.0396
145 1 0.3792 0.7608 0.0057
146 1 0.7608 0.0057 0.3792
147 5 0.1403 0.7352 0.0403
148 5 0.7352 0.0403 0.1403
149 7 0.2152 0.7876 0.1276
150 7 0.7876 0.1276 0.2152
151 8 0.0597 0.7828 0.2785
152 8 0.7828 0.2785 0.0597
153 9 0.1041 0.6194 0.0782
154 9 0.6194 0.0782 0.1041
155 10 0.0396 0.8036 0.0171
156 10 0.8036 0.0171 0.0396
157 1 0.6208 0.2392 0.9943
158 1 0.2392 0.9943 0.6208
159 5 0.8597 0.2648 0.9597
160 5 0.2648 0.9597 0.8597
161 7 0.7848 0.2124 0.8724
162 7 0.2124 0.8724 0.7848
163 8 0.9403 0.2172 0.7215
164 8 0.2172 0.7215 0.9403
165 9 0.8959 0.3806 0.9218
166 9 0.3806 0.9218 0.8959
167 10 0.9604 0.1964 0.9829
168 10 0.1964 0.9829 0.9604
X-ray density (g/cm cub.) = 3.55
MU (1/cm) = 167.34 Mass attenuation coefficient (cm**2/g) = 47.202
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Mn ,Na ,Li 2.808 7
2.2266 6
2.5154 7
2.1279 10
2.217 9
2.1855 8
2.3785 9
2.7207 7
2 Ca 2.88 8
2.4205 6
2.4205 6
2.4542 10
2.4542 10
2.4542 10
2.4542 10
2.4542 10
2.4542 10
3 Fe ,Fe 2.592 6
2.1561 9
2.1561 9
2.1561 9
2.1561 9
2.1561 9
2.1561 9
4 Al 2.316 6
1.9165 7
1.9019 8
1.9165 7
1.9165 7
1.9019 8
1.9019 8
5 P 2.232 4
1.5427 7
1.5514 9
1.5125 10
1.5487 8
6 F 3.228 6
2.968 7
2.6676 10
2.968 7
2.968 7
2.6676 10
2.6676 10
7 O 3.264 10
2.968 6
2.6453 8
2.5331 9
2.5397 10
2.7378 7
2.7378 7
2.6584 8
2.8488 9
2.4243 8
3.1462 10
8 O 3.264 11
2.6453 7
3.2011 9
3.2099 10
3.1069 10
3.2319 6
2.6584 7
2.7564 8
2.7564 8
2.4243 7
2.5082 9
2.5654 10
9 O 3.264 7
2.5331 7
3.2011 8
2.496 10
2.8488 7
2.5082 8
2.7917 9
2.7917 9
10 O 3.264 9
2.5397 7
3.2099 8
2.496 9
3.1069 8
2.6677 6
3.1462 7
2.9883 10
2.5654 8
2.9883 10
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 1 1 7.293 14.585 0.071 121.17 8 45.3 60.2
2 2 0 0 8.428 16.857 0.082 90.15 6 15.7 4.0
3 2 1 0 9.432 18.864 0.092 71.55 12 11.7 3.5
4 1 1 2 10.341 20.683 0.1 59.15 24 16.5 11.7
5 2 2 0 11.963 23.927 0.116 43.67 12 4.6 0.3
6 2 2 1 12.701 25.402 0.123 38.51 24 20.3 11.5
7 1 1 3 14.067 28.135 0.136 31.02 24 32.3 23.5
8 2 2 2 14.707 29.413 0.142 28.21 8 87.6 52.4
9 2 3 0 15.322 30.643 0.148 25.84 12 141.8 188.7
10 1 2 3 15.915 31.83 0.153 23.81 24 30.7 16.3
11 3 2 1 15.915 31.83 0.153 23.81 24 16.4 4.6
12 4 0 0 17.046 34.093 0.164 20.52 6 322.3 386.9
13 2 2 3 17.588 35.176 0.169 19.17 24 35.5 17.5
14 4 1 0 17.588 35.176 0.169 19.17 12 214.7 320.8
15 1 1 4 18.115 36.23 0.174 17.96 24 76.7 76.7
16 3 3 1 18.63 37.259 0.179 16.89 24 39.8 19.4
17 2 4 0 19.132 38.264 0.183 15.93 12 284.5 468.2
18 4 2 0 19.132 38.264 0.183 15.93 12 408.4 964.6
19 1 2 4 19.624 39.247 0.188 15.06 24 78.8 67.9
20 4 2 1 19.624 39.247 0.188 15.06 24 5.6 0.3
21 3 3 2 20.105 40.21 0.192 14.27 24 42.6 18.8
22 2 2 4 21.041 42.081 0.201 12.89 24 188.8 333.6
23 4 3 0 21.496 42.991 0.205 12.29 12 56.7 14.3
24 1 3 4 21.943 43.887 0.209 11.73 24 45.9 17.9
25 4 3 1 21.943 43.887 0.209 11.73 24 45.9 17.9
26 1 1 5 22.384 44.767 0.213 11.22 24 47.3 18.2
27 3 3 3 22.384 44.767 0.213 11.22 8 199.4 107.9
28 2 3 4 23.245 46.489 0.221 10.3 24 138.2 142.8
29 2 5 0 23.245 46.489 0.221 10.3 12 10.8 0.4
30 4 3 2 23.245 46.489 0.221 10.3 24 107.7 86.7
31 1 2 5 23.666 47.332 0.224 9.89 24 12.4 1.1
32 5 2 1 23.666 47.332 0.224 9.89 24 66.0 31.3
33 4 4 0 24.492 48.985 0.232 9.15 12 101.2 34.0
34 2 2 5 24.898 49.795 0.235 8.81 24 65.6 27.5
35 4 4 1 24.898 49.795 0.235 8.81 24 29.8 5.7
36 3 3 4 25.298 50.596 0.239 8.5 24 44.9 12.4
37 1 3 5 25.694 51.388 0.242 8.2 24 67.9 27.5
38 5 3 1 25.694 51.388 0.242 8.2 24 30.3 5.5
39 4 4 2 26.086 52.172 0.246 7.92 24 129.9 97.2
40 6 0 0 26.086 52.172 0.246 7.92 6 43.1 2.7
41 6 1 0 26.473 52.947 0.249 7.66 12 230.0 147.1
42 1 1 6 26.857 53.714 0.253 7.42 24 44.7 10.7
43 2 3 5 26.857 53.714 0.253 7.42 24 33.6 6.1
44 5 3 2 26.857 53.714 0.253 7.42 24 46.6 11.7
45 2 6 0 27.613 55.227 0.259 6.96 12 57.3 8.3
46 6 2 0 27.613 55.227 0.259 6.96 12 6.8 0.1
47 1 2 6 27.986 55.973 0.262 6.75 24 17.3 1.5
48 4 4 3 27.986 55.973 0.262 6.75 24 53.0 13.8
49 4 5 0 27.986 55.973 0.262 6.75 12 15.3 0.6
50 6 2 1 27.986 55.973 0.262 6.75 24 64.4 20.4
51 1 4 5 28.356 56.712 0.265 6.55 24 1.5 0.0
52 5 4 1 28.356 56.712 0.265 6.55 24 23.6 2.6
53 3 3 5 28.723 57.445 0.269 6.37 24 5.5 0.1
54 2 2 6 29.086 58.173 0.272 6.19 24 57.3 14.7
55 2 4 5 29.447 58.894 0.275 6.02 24 111.1 54.0
56 5 4 2 29.447 58.894 0.275 6.02 24 6.0 0.2
57 6 3 0 29.447 58.894 0.275 6.02 12 170.6 63.6
58 1 3 6 29.805 59.61 0.278 5.86 24 30.1 3.9
59 6 3 1 29.805 59.61 0.278 5.86 24 30.0 3.8
60 4 4 4 30.514 61.027 0.284 5.56 8 293.9 116.2
61 2 3 6 30.864 61.728 0.287 5.42 24 102.2 41.1
62 6 3 2 30.864 61.728 0.287 5.42 24 43.1 7.3
63 3 4 5 31.212 62.425 0.29 5.29 24 48.7 9.1
64 5 4 3 31.212 62.425 0.29 5.29 24 39.5 6.0
65 1 1 7 31.559 63.117 0.293 5.16 24 40.9 6.3
66 5 5 1 31.559 63.117 0.293 5.16 24 5.3 0.1
67 4 6 0 31.903 63.805 0.295 5.04 12 333.6 203.5
68 6 4 0 31.903 63.805 0.295 5.04 12 11.0 0.2
69 1 4 6 32.244 64.489 0.298 4.92 24 62.5 14.0
70 2 7 0 32.244 64.489 0.298 4.92 12 66.1 7.8
71 6 4 1 32.244 64.489 0.298 4.92 24 65.6 15.4
72 1 2 7 32.584 65.169 0.301 4.81 24 89.0 27.7
73 3 3 6 32.584 65.169 0.301 4.81 24 81.5 23.2
74 5 5 2 32.584 65.169 0.301 4.81 24 1.2 0.0
75 7 2 1 32.584 65.169 0.301 4.81 24 36.7 4.7
76 2 4 6 33.259 66.518 0.307 4.61 24 223.7 167.4
77 6 4 2 33.259 66.518 0.307 4.61 24 206.2 142.2
78 2 2 7 33.594 67.187 0.309 4.51 24 39.8 5.2
79 4 4 5 33.594 67.187 0.309 4.51 24 9.3 0.3
80 1 3 7 34.258 68.516 0.315 4.33 24 106.9 35.9
81 5 5 3 34.258 68.516 0.315 4.33 24 68.8 14.9
82 7 3 1 34.258 68.516 0.315 4.33 24 35.1 3.9
83 3 4 6 34.917 69.833 0.32 4.16 24 119.1 42.9
84 6 4 3 34.917 69.833 0.32 4.16 24 33.4 3.4
85 6 5 0 34.917 69.833 0.32 4.16 12 149.2 33.6
86 1 5 6 35.244 70.488 0.323 4.09 24 10.6 0.3
87 2 3 7 35.244 70.488 0.323 4.09 24 7.7 0.2
88 6 5 1 35.244 70.488 0.323 4.09 24 140.2 58.3
89 7 3 2 35.244 70.488 0.323 4.09 24 19.2 1.1
90 8 0 0 35.894 71.788 0.328 3.94 6 349.5 87.4
91 2 5 6 36.218 72.435 0.33 3.87 24 86.8 21.2
92 4 7 0 36.218 72.435 0.33 3.87 12 71.2 7.1
93 6 5 2 36.218 72.435 0.33 3.87 24 39.1 4.3
94 8 1 0 36.218 72.435 0.33 3.87 12 95.0 12.7
95 1 1 8 36.54 73.08 0.333 3.81 24 56.6 8.9
96 1 4 7 36.54 73.08 0.333 3.81 24 36.6 3.7
97 5 5 4 36.54 73.08 0.333 3.81 24 30.9 2.6
98 7 4 1 36.54 73.08 0.333 3.81 24 40.4 4.5
99 3 3 7 36.861 73.722 0.335 3.75 24 44.6 5.4
100 2 8 0 37.181 74.362 0.338 3.69 12 124.2 20.7
101 4 4 6 37.181 74.362 0.338 3.69 24 65.5 11.5
102 8 2 0 37.181 74.362 0.338 3.69 12 106.7 15.2
103 1 2 8 37.5 75.0 0.34 3.63 24 170.9 77.0
104 2 4 7 37.5 75.0 0.34 3.63 24 9.8 0.3
105 7 4 2 37.5 75.0 0.34 3.63 24 13.2 0.5
106 8 2 1 37.5 75.0 0.34 3.63 24 143.4 54.2
107 3 5 6 37.818 75.636 0.343 3.57 24 39.2 4.0
108 6 5 3 37.818 75.636 0.343 3.57 24 22.9 1.4
109 2 2 8 38.452 76.904 0.348 3.47 24 61.2 9.4
110 6 6 0 38.452 76.904 0.348 3.47 12 48.8 3.0
111 6 6 1 38.767 77.535 0.35 3.42 24 73.2 13.3
112 8 3 0 38.767 77.535 0.35 3.42 12 33.7 1.4
113 1 3 8 39.082 78.164 0.352 3.38 24 58.9 8.5
114 3 4 7 39.082 78.164 0.352 3.38 24 42.4 4.4
115 7 4 3 39.082 78.164 0.352 3.38 24 46.1 5.2
116 8 3 1 39.082 78.164 0.352 3.38 24 39.3 3.8
117 1 5 7 39.396 78.792 0.355 3.33 24 32.2 2.5
118 5 5 5 39.396 78.792 0.355 3.33 8 38.0 1.2
119 7 5 1 39.396 78.792 0.355 3.33 24 20.1 1.0
120 6 6 2 39.71 79.419 0.357 3.29 24 69.0 11.4
121 2 3 8 40.022 80.045 0.359 3.25 24 0.2 0.0
122 4 5 6 40.022 80.045 0.359 3.25 24 34.0 2.7
123 6 5 4 40.022 80.045 0.359 3.25 24 134.0 42.4
124 8 3 2 40.022 80.045 0.359 3.25 24 12.3 0.4
125 2 5 7 40.334 80.669 0.362 3.21 24 21.9 1.1
126 7 5 2 40.334 80.669 0.362 3.21 24 19.4 0.9
127 4 8 0 40.957 81.914 0.366 3.14 12 49.1 2.8
128 8 4 0 40.957 81.914 0.366 3.14 12 166.8 31.7
129 1 4 8 41.268 82.535 0.369 3.11 24 47.3 5.0
130 4 4 7 41.268 82.535 0.369 3.11 24 5.4 0.1
131 6 6 3 41.268 82.535 0.369 3.11 24 39.7 3.6
132 8 4 1 41.268 82.535 0.369 3.11 24 22.9 1.2
133 3 3 8 41.578 83.156 0.371 3.08 24 0.5 0.0
134 1 1 9 41.888 83.775 0.373 3.05 24 66.4 9.8
135 3 5 7 41.888 83.775 0.373 3.05 24 18.9 0.8
136 7 5 3 41.888 83.775 0.373 3.05 24 98.8 21.6
137 2 4 8 42.197 84.394 0.375 3.02 24 88.5 17.2
138 8 4 2 42.197 84.394 0.375 3.02 24 164.2 59.1
139 2 9 0 42.506 85.012 0.378 2.99 12 21.9 0.5
140 6 7 0 42.506 85.012 0.378 2.99 12 32.8 1.2
141 1 2 9 42.815 85.629 0.38 2.97 24 13.2 0.4
142 1 6 7 42.815 85.629 0.38 2.97 24 203.1 88.9
143 5 5 6 42.815 85.629 0.38 2.97 24 48.1 5.0
144 7 6 1 42.815 85.629 0.38 2.97 24 48.3 5.0
145 9 2 1 42.815 85.629 0.38 2.97 24 4.3 0.0
146 6 6 4 43.432 86.863 0.384 2.92 24 105.5 23.6
147 2 2 9 43.74 87.479 0.386 2.9 24 20.9 0.9
148 2 6 7 43.74 87.479 0.386 2.9 24 8.0 0.1
149 3 4 8 43.74 87.479 0.386 2.9 24 130.8 36.0
150 7 6 2 43.74 87.479 0.386 2.9 24 45.8 4.4
151 8 4 3 43.74 87.479 0.386 2.9 24 46.9 4.6
152 8 5 0 43.74 87.479 0.386 2.9 12 68.4 4.9
153 1 5 8 44.048 88.095 0.389 2.88 24 6.8 0.1
154 4 5 7 44.048 88.095 0.389 2.88 24 5.4 0.1
155 7 5 4 44.048 88.095 0.389 2.88 24 40.0 3.4
156 8 5 1 44.048 88.095 0.389 2.88 24 64.9 8.8
157 1 3 9 44.355 88.711 0.391 2.86 24 33.6 2.3
158 9 3 1 44.355 88.711 0.391 2.86 24 25.6 1.4
159 2 5 8 44.971 89.942 0.395 2.83 24 44.3 4.0
160 8 5 2 44.971 89.942 0.395 2.83 24 4.3 0.0
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 1 1 7.293 14.585 7.04656 60.2 4.2 4.3 5.6
2 1 1 3 14.067 28.135 3.67995 23.5 1.6 1.7 5.6
3 2 2 2 14.707 29.413 3.52328 52.4 3.7 3.7 5.6
4 2 3 0 15.322 30.643 3.38506 188.7 13.2 13.3 5.6
5 1 2 3 15.915 31.83 3.26192 20.9 1.5 1.5 5.6
6 4 0 0 17.046 34.093 3.05125 386.9 27.0 27.1 5.7
7 4 1 0 17.588 35.176 2.96015 338.3 23.6 23.7 5.7
8 1 1 4 18.115 36.23 2.87675 76.7 5.4 5.4 5.7
9 3 3 1 18.63 37.259 2.80002 19.4 1.4 1.4 5.7
10 4 2 0 19.132 38.264 2.72912 1432.8 100.0 100.0 5.7
11 1 2 4 19.624 39.247 2.66335 68.2 4.8 4.8 5.7
12 3 3 2 20.105 40.21 2.60211 18.8 1.3 1.3 5.7
13 2 2 4 21.041 42.081 2.49133 333.6 23.3 23.2 5.7
14 4 3 0 21.496 42.991 2.441 14.3 1.0 1.0 5.7
15 1 3 4 21.943 43.887 2.3936 35.8 2.5 2.5 5.7
16 3 3 3 22.384 44.767 2.34885 126.2 8.8 8.7 5.7
17 2 3 4 23.245 46.489 2.26641 230.0 16.1 15.9 5.7
18 5 2 1 23.666 47.332 2.22832 32.4 2.3 2.2 5.7
19 4 4 0 24.492 48.985 2.15756 34.0 2.4 2.3 5.7
20 2 2 5 24.898 49.795 2.12462 33.2 2.3 2.3 5.7
21 1 3 5 25.694 51.388 2.06302 33.0 2.3 2.3 5.8
22 4 4 2 26.086 52.172 2.03417 99.8 7.0 6.9 5.8
23 6 1 0 26.473 52.947 2.00649 147.1 10.3 10.1 5.8
24 5 3 2 26.857 53.714 1.97991 28.5 2.0 2.0 5.8
25 6 2 1 27.986 55.973 1.9061 36.2 2.5 2.5 5.8
26 2 2 6 29.086 58.173 1.83997 14.7 1.0 1.0 5.8
27 6 3 0 29.447 58.894 1.81941 117.8 8.2 8.0 5.8
28 4 4 4 30.514 61.027 1.76164 116.2 8.1 7.9 5.8
29 2 3 6 30.864 61.728 1.74357 48.4 3.4 3.3 5.8
30 3 4 5 31.212 62.425 1.72605 15.1 1.1 1.0 5.8
31 4 6 0 31.903 63.805 1.69253 203.8 14.2 13.8 5.9
32 6 4 1 32.244 64.489 1.67649 37.2 2.6 2.5 5.9
33 1 2 7 32.584 65.169 1.66089 55.6 3.9 3.8 5.9
34 2 4 6 33.259 66.518 1.63096 309.6 21.6 20.8 5.9
35 1 3 7 34.258 68.516 1.58896 54.7 3.8 3.7 5.9
36 3 4 6 34.917 69.833 1.56269 79.9 5.6 5.3 5.9
37 6 5 1 35.244 70.488 1.55004 59.4 4.1 4.0 5.9
38 8 0 0 35.894 71.788 1.52562 87.4 6.1 5.8 5.9
39 2 5 6 36.218 72.435 1.51384 45.3 3.2 3.0 5.9
40 1 1 8 36.54 73.08 1.50233 19.7 1.4 1.3 6.0
41 2 8 0 37.181 74.362 1.48007 47.4 3.3 3.1 6.0
42 1 2 8 37.5 75.0 1.46931 131.8 9.2 8.7 6.0
43 6 6 1 38.767 77.535 1.42849 14.7 1.0 1.0 6.0
44 1 3 8 39.082 78.164 1.4188 21.9 1.5 1.4 6.0
45 6 5 4 40.022 80.045 1.39089 45.5 3.2 3.0 6.0
46 8 4 0 40.957 81.914 1.36456 34.5 2.4 2.3 6.1
47 7 5 3 41.888 83.775 1.33967 32.1 2.2 2.1 6.1
48 8 4 2 42.197 84.394 1.33167 76.3 5.3 4.9 6.1
49 1 6 7 42.815 85.629 1.3161 99.0 6.9 6.4 6.1
50 6 6 4 43.432 86.863 1.30106 23.6 1.6 1.5 6.1
51 3 4 8 43.74 87.479 1.29373 50.0 3.5 3.2 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)
|