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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PALENZONAITE
2, t-garnet
(Ca,Na)(3)Mn(2)V(3)O(12)
Cubic I a3d Z = 8
Ia3d
18 .9 .13
Ref.Str.:
Nagashima M., Armbruster T. (2012)
* Mineral. Mag., 76, 1081-1097
R: from Molinello mine, Italy.
N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 12.5433 alpha = 90.0
b = 12.5433 beta = 90.0
c = 12.5433 gamma = 90.0
Unit cell volume (cub. angs.) = 1973.49
Molar volume ( cub.cm/mol.) = 148.59
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.125 0.0 0.25 0.0 Ca = 0.73, Na = 0.27
2 0.375 0.0 0.25 0.0 V = 0.93, As = 0.01, Si = 0.07
3 0.0 0.0 0.0 0.0 Mn = 0.99, Mn = 0.0
4 0.0392 0.0542 0.6584 0.0 O = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.125 0.0 0.25
2 2 0.375 0.0 0.25
3 3 0.0 0.0 0.0
4 4 0.0392 0.0542 0.6584
5 1 0.875 0.0 0.75
6 2 0.625 0.0 0.75
7 4 0.9608 0.9458 0.3416
8 1 0.75 0.375 0.0
9 1 0.375 0.0 0.75
10 1 0.75 0.625 0.5
11 2 0.75 0.625 0.0
12 2 0.125 0.0 0.75
13 2 0.75 0.375 0.5
14 3 0.75 0.25 0.75
15 3 0.5 0.0 0.5
16 3 0.75 0.75 0.25
17 4 0.6958 0.2892 0.4084
18 4 0.4608 0.9458 0.1584
19 4 0.8042 0.7108 0.9084
20 1 0.75 0.125 0.5
21 1 0.625 0.0 0.25
22 1 0.75 0.875 0.0
23 2 0.75 0.875 0.5
24 2 0.875 0.0 0.25
25 2 0.75 0.125 0.0
26 4 0.8042 0.2108 0.0916
27 4 0.5392 0.0542 0.8416
28 4 0.6958 0.7892 0.5916
29 3 0.0 0.0 0.5
30 4 0.9608 0.0542 0.1584
31 4 0.0392 0.9458 0.8416
32 1 0.25 0.375 0.5
33 1 0.25 0.625 0.0
34 2 0.25 0.625 0.5
35 2 0.25 0.375 0.0
36 3 0.25 0.25 0.25
37 3 0.5 0.0 0.0
38 3 0.25 0.75 0.75
39 4 0.3042 0.2892 0.9084
40 4 0.5392 0.9458 0.6584
41 4 0.1958 0.7108 0.4084
42 1 0.25 0.125 0.0
43 1 0.25 0.875 0.5
44 2 0.25 0.875 0.0
45 2 0.25 0.125 0.5
46 4 0.1958 0.2108 0.5916
47 4 0.4608 0.0542 0.3416
48 4 0.3042 0.7892 0.0916
49 1 0.375 0.5 0.25
50 2 0.125 0.5 0.25
51 3 0.5 0.5 0.5
52 4 0.4608 0.4458 0.8416
53 1 0.625 0.5 0.75
54 2 0.875 0.5 0.75
55 4 0.5392 0.5542 0.1584
56 1 0.125 0.5 0.75
57 2 0.375 0.5 0.75
58 3 0.0 0.5 0.0
59 4 0.0392 0.5542 0.3416
60 1 0.875 0.5 0.25
61 2 0.625 0.5 0.25
62 4 0.9608 0.4458 0.6584
63 3 0.5 0.5 0.0
64 4 0.5392 0.4458 0.3416
65 4 0.4608 0.5542 0.6584
66 3 0.0 0.5 0.5
67 4 0.9608 0.5542 0.8416
68 4 0.0392 0.4458 0.1584
69 1 0.0 0.25 0.125
70 2 0.0 0.25 0.375
71 4 0.0542 0.6584 0.0392
72 4 0.6584 0.0392 0.0542
73 1 0.0 0.75 0.875
74 2 0.0 0.75 0.625
75 4 0.9458 0.3416 0.9608
76 4 0.3416 0.9608 0.9458
77 1 0.0 0.75 0.375
78 1 0.5 0.75 0.625
79 2 0.0 0.75 0.125
80 2 0.5 0.75 0.375
81 4 0.2892 0.4084 0.6958
82 4 0.4084 0.6958 0.2892
83 4 0.9458 0.1584 0.4608
84 4 0.1584 0.4608 0.9458
85 4 0.7108 0.9084 0.8042
86 4 0.9084 0.8042 0.7108
87 1 0.5 0.75 0.125
88 1 0.0 0.25 0.625
89 2 0.5 0.75 0.875
90 2 0.0 0.25 0.875
91 4 0.2108 0.0916 0.8042
92 4 0.0916 0.8042 0.2108
93 4 0.0542 0.8416 0.5392
94 4 0.8416 0.5392 0.0542
95 4 0.7892 0.5916 0.6958
96 4 0.5916 0.6958 0.7892
97 4 0.0542 0.1584 0.9608
98 4 0.1584 0.9608 0.0542
99 4 0.9458 0.8416 0.0392
100 4 0.8416 0.0392 0.9458
101 1 0.5 0.25 0.375
102 2 0.5 0.25 0.625
103 4 0.2892 0.9084 0.3042
104 4 0.9084 0.3042 0.2892
105 4 0.9458 0.6584 0.5392
106 4 0.6584 0.5392 0.9458
107 4 0.7108 0.4084 0.1958
108 4 0.4084 0.1958 0.7108
109 1 0.5 0.25 0.875
110 2 0.5 0.25 0.125
111 4 0.2108 0.5916 0.1958
112 4 0.5916 0.1958 0.2108
113 4 0.0542 0.3416 0.4608
114 4 0.3416 0.4608 0.0542
115 4 0.7892 0.0916 0.3042
116 4 0.0916 0.3042 0.7892
117 4 0.4458 0.8416 0.4608
118 4 0.8416 0.4608 0.4458
119 4 0.5542 0.1584 0.5392
120 4 0.1584 0.5392 0.5542
121 4 0.5542 0.3416 0.0392
122 4 0.3416 0.0392 0.5542
123 4 0.4458 0.6584 0.9608
124 4 0.6584 0.9608 0.4458
125 4 0.4458 0.3416 0.5392
126 4 0.3416 0.5392 0.4458
127 4 0.5542 0.6584 0.4608
128 4 0.6584 0.4608 0.5542
129 4 0.5542 0.8416 0.9608
130 4 0.8416 0.9608 0.5542
131 4 0.4458 0.1584 0.0392
132 4 0.1584 0.0392 0.4458
133 3 0.25 0.25 0.75
134 3 0.25 0.75 0.25
135 4 0.3042 0.2108 0.4084
136 4 0.1958 0.7892 0.9084
137 4 0.1958 0.2892 0.0916
138 4 0.3042 0.7108 0.5916
139 3 0.75 0.25 0.25
140 3 0.75 0.75 0.75
141 4 0.6958 0.2108 0.9084
142 4 0.8042 0.7892 0.4084
143 4 0.8042 0.2892 0.5916
144 4 0.6958 0.7108 0.0916
145 4 0.7108 0.0916 0.6958
146 4 0.5916 0.8042 0.2892
147 4 0.2892 0.5916 0.8042
148 4 0.0916 0.6958 0.7108
149 4 0.7892 0.4084 0.8042
150 4 0.9084 0.6958 0.2108
151 4 0.2108 0.9084 0.6958
152 4 0.4084 0.8042 0.7892
153 4 0.7108 0.5916 0.3042
154 4 0.0916 0.1958 0.2892
155 4 0.2892 0.0916 0.1958
156 4 0.5916 0.3042 0.7108
157 4 0.7892 0.9084 0.1958
158 4 0.4084 0.3042 0.2108
159 4 0.2108 0.4084 0.3042
160 4 0.9084 0.1958 0.7892
X-ray density (g/cm cub.) = 3.74
MU (1/cm) = 548.253 Mass attenuation coefficient (cm**2/g) = 146.426
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Ca ,Na 2.88 8
2.4546 4
2.4546 4
2.5401 4
2.5401 4
2.4546 4
2.5401 4
2.5401 4
2.4546 4
2 V ,As ,Si 2.496 4
1.7141 4
1.7141 4
1.7141 4
1.7141 4
3 Mn ,Mn 2.724 6
2.1569 4
2.1569 4
2.1569 4
2.1569 4
2.1569 4
2.1569 4
4 O 3.264 9
2.6691 4
2.9017 4
3.038 4
2.8619 4
3.0626 4
3.038 4
3.0626 4
2.8619 4
2.9229 4
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 1 2 8.651 17.303 0.098 85.45 24 51.0 137.1
2 2 2 0 10.003 20.005 0.113 63.38 12 86.7 146.7
3 3 2 1 13.284 26.568 0.149 35.03 48 46.3 92.4
4 4 0 0 14.22 28.439 0.159 30.32 6 574.9 1543.7
5 4 2 0 15.94 31.88 0.178 23.73 24 438.8 2816.4
6 3 3 2 16.74 33.481 0.187 21.34 24 199.0 521.0
7 2 2 4 17.508 35.017 0.195 19.36 24 394.8 1858.7
8 4 3 1 18.248 36.496 0.203 17.68 48 126.7 349.7
9 5 2 1 19.655 39.31 0.218 15.0 48 73.8 100.9
10 4 4 0 20.327 40.655 0.225 13.92 12 5.5 0.1
11 1 1 6 22.244 44.488 0.246 11.38 24 136.9 131.3
12 5 3 2 22.244 44.488 0.246 11.38 48 83.9 98.6
13 6 2 0 22.854 45.709 0.252 10.7 24 163.7 176.6
14 5 4 1 23.452 46.904 0.258 10.09 48 30.7 11.7
15 6 3 1 24.614 49.228 0.27 9.04 48 53.3 31.6
16 4 4 4 25.18 50.359 0.276 8.59 8 385.4 262.0
17 5 4 3 25.736 51.473 0.282 8.17 48 29.5 8.8
18 6 4 0 26.285 52.569 0.287 7.79 24 462.9 1028.6
19 3 3 6 26.825 53.65 0.293 7.44 24 21.0 2.0
20 5 5 2 26.825 53.65 0.293 7.44 24 10.8 0.5
21 7 2 1 26.825 53.65 0.293 7.44 48 13.4 1.6
22 6 4 2 27.358 54.716 0.298 7.11 48 497.8 2171.2
23 6 5 1 28.917 57.834 0.314 6.27 48 33.3 8.6
24 7 3 2 28.917 57.834 0.314 6.27 48 55.7 24.0
25 8 0 0 29.425 58.849 0.319 6.03 6 620.4 357.6
26 7 4 1 29.927 59.854 0.324 5.81 48 71.2 36.3
27 8 2 0 30.424 60.848 0.329 5.6 24 42.5 6.2
28 6 5 3 30.917 61.833 0.334 5.4 48 101.6 68.7
29 2 2 8 31.405 62.809 0.338 5.22 24 87.9 24.8
30 6 6 0 31.405 62.809 0.338 5.22 12 1.8 0.0
31 7 4 3 31.888 63.777 0.343 5.04 48 35.9 8.0
32 8 3 1 31.888 63.777 0.343 5.04 48 27.7 4.8
33 7 5 2 32.844 65.688 0.352 4.73 48 79.1 36.5
34 8 4 0 33.317 66.633 0.357 4.59 24 403.4 460.4
35 8 4 2 34.252 68.503 0.365 4.33 48 337.9 609.7
36 5 5 6 34.715 69.429 0.37 4.21 24 26.1 1.8
37 7 6 1 34.715 69.429 0.37 4.21 48 113.9 67.4
38 9 2 1 34.715 69.429 0.37 4.21 48 24.4 3.1
39 6 6 4 35.175 70.35 0.374 4.1 24 359.1 326.0
40 7 5 4 35.632 71.265 0.378 4.0 48 80.1 31.7
41 8 5 1 35.632 71.265 0.378 4.0 48 72.9 26.2
42 7 6 3 36.54 73.081 0.386 3.81 48 17.4 1.4
43 9 3 2 36.54 73.081 0.386 3.81 48 2.1 0.0
44 4 4 8 36.991 73.982 0.391 3.72 24 75.7 13.1
45 8 5 3 37.44 74.879 0.395 3.64 48 89.4 35.9
46 9 4 1 37.44 74.879 0.395 3.64 48 94.2 39.8
47 8 6 0 37.886 75.773 0.399 3.56 24 14.5 0.5
48 1 1 10 38.331 76.663 0.403 3.49 24 81.2 14.2
49 7 7 2 38.331 76.663 0.403 3.49 24 14.6 0.5
50 8 6 2 38.775 77.549 0.407 3.42 48 14.8 0.9
51 10 2 0 38.775 77.549 0.407 3.42 24 68.6 9.9
52 9 4 3 39.216 78.433 0.41 3.36 48 77.6 24.9
53 7 6 5 40.096 80.192 0.418 3.24 48 30.4 3.7
54 9 5 2 40.096 80.192 0.418 3.24 48 45.7 8.3
55 10 3 1 40.096 80.192 0.418 3.24 48 22.2 2.0
56 8 7 1 40.971 81.942 0.426 3.14 48 15.0 0.9
57 8 6 4 41.407 82.814 0.429 3.1 48 281.0 301.2
58 10 4 0 41.407 82.814 0.429 3.1 24 317.3 192.1
59 3 3 10 41.842 83.684 0.433 3.05 24 28.9 1.6
60 9 6 1 41.842 83.684 0.433 3.05 48 31.0 3.6
61 10 4 2 42.277 84.553 0.437 3.01 48 369.8 508.0
62 8 7 3 42.71 85.421 0.44 2.98 48 36.9 5.0
63 9 5 4 42.71 85.421 0.44 2.98 48 28.2 2.9
64 9 6 3 43.576 87.153 0.447 2.91 48 1.8 0.0
65 10 5 1 43.576 87.153 0.447 2.91 48 8.4 0.3
66 11 2 1 43.576 87.153 0.447 2.91 48 7.9 0.2
67 8 8 0 44.009 88.018 0.451 2.88 12 669.0 397.7
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 1 1 2 8.651 17.303 5.12078 137.1 4.9 4.9 5.6
2 2 2 0 10.003 20.005 4.43473 146.7 5.2 5.3 5.6
3 3 2 1 13.284 26.568 3.35234 92.4 3.3 3.3 5.6
4 4 0 0 14.22 28.439 3.13582 1543.7 54.8 55.0 5.6
5 4 2 0 15.94 31.88 2.80477 2816.4 100.0 100.0 5.6
6 3 3 2 16.74 33.481 2.67424 521.0 18.5 18.5 5.7
7 2 2 4 17.508 35.017 2.56039 1858.7 66.0 65.8 5.7
8 4 3 1 18.248 36.496 2.45994 349.7 12.4 12.4 5.7
9 5 2 1 19.655 39.31 2.29008 100.9 3.6 3.6 5.7
10 1 1 6 22.244 44.488 2.03479 229.9 8.2 8.1 5.7
11 6 2 0 22.854 45.709 1.98327 176.6 6.3 6.2 5.7
12 6 3 1 24.614 49.228 1.84941 31.6 1.1 1.1 5.7
13 4 4 4 25.18 50.359 1.81047 262.0 9.3 9.1 5.8
14 6 4 0 26.285 52.569 1.73944 1028.6 36.5 35.7 5.8
15 6 4 2 27.358 54.716 1.67617 2171.2 77.1 75.2 5.8
16 7 3 2 28.917 57.834 1.593 32.6 1.2 1.1 5.8
17 8 0 0 29.425 58.849 1.56791 357.6 12.7 12.3 5.8
18 7 4 1 29.927 59.854 1.54397 36.3 1.3 1.2 5.8
19 6 5 3 30.917 61.833 1.49921 68.7 2.4 2.4 5.8
20 7 5 2 32.844 65.688 1.42025 36.5 1.3 1.2 5.9
21 8 4 0 33.317 66.633 1.40238 460.4 16.3 15.7 5.9
22 8 4 2 34.252 68.503 1.36859 609.7 21.6 20.7 5.9
23 9 2 1 34.715 69.429 1.35258 72.2 2.6 2.4 5.9
24 6 6 4 35.175 70.35 1.33712 326.0 11.6 11.0 5.9
25 7 5 4 35.632 71.265 1.32218 57.8 2.1 2.0 5.9
26 9 4 1 37.44 74.879 1.26706 75.6 2.7 2.5 6.0
27 8 6 4 41.407 82.814 1.16462 493.2 17.5 16.2 6.1
28 10 4 2 42.277 84.553 1.14504 508.0 18.0 16.7 6.1
29 8 8 0 44.009 88.018 1.10868 397.7 14.1 12.9 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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