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CC=Collection Code: [AB2X4]=ANX Form: [cF56]=Pearson: [e d a]=Wyckoff Symbol: [Al2MgO4]=Structure Type:
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Title
Crystal structure of natural monoclinic kurchatovite Ca2 (Mg0.86 Fe0.14) (Mg0.92 Fe0.08) (B2 O5)2.
Authors
Simonov, M.A.; Egorov-Tismenko, Yu.K.; Yamnova, M.A.; Belokoneva, E.L.; Belov, N.V.
Reference
IC&volume=251&fpage=112&details=yes target=icsd_help>Doklady Akademii Nauk SSSR (1980)
251
, 112-112
Link
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Compound
B4 Ca2 Fe0.22 Mg1.78 O10
-
[Clinokurchatovite]
Calcium magnesium iron diborate (2/1.8/0.2/2)
[
ABC2X5
] [
mP72
] [
e18
] [
]
Cell
12.45, 5.514, 11.145, 90., 90., 104.13
P1121/B (14)
V=741.95
Remarks
R=0.046000 : P =43-689 : M =Clinokurchatovite :
Calculated density unusual but tolerable.
PDF 43-689
Atom (site) Oxid.
x, y, z, B, Occupancy
Ca1
(4e)
2
Ca2
(4e)
2
Mg1
(4e)
2
Fe1
(4e)
2
Mg2
(4e)
2
Fe2
(4e)
2
O1
(4e)
-2
O2
(4e)
-2
O3
(4e)
-2
O4
(4e)
-2
O5
(4e)
-2
O6
(4e)
-2
O7
(4e)
-2
O8
(4e)
-2
O9
(4e)
-2
O10
(4e)
-2
B1
(4e)
3
B2
(4e)
3
B3
(4e)
3
B4
(4e)
3
0.58
0.93
0.37
0.6
1
0.09
0.46
0.38
0.63
1
0.26
0.51
0.12
0.31
0.86
0.26
0.51
0.12
0.31
0.14
0.76
0.00
0.12
0.28
0.92
0.76
0.00
0.12
0.28
0.08
0.44
0.55
0.37
0.75
1
0.94
0.07
0.39
0.71
1
0.43
0.61
0.08
0.68
1
0.09
0.41
0.16
0.76
1
0.93
0.13
0.09
0.69
1
0.77
0.17
0.45
0.73
1
0.76
0.86
0.30
0.68
1
0.28
0.67
0.30
0.67
1
0.26
0.35
0.45
0.69
1
0.59
0.88
0.15
0.74
1
0.82
0.03
0.38
0.58
1
0.32
0.52
0.37
0.6
1
0.99
0.36
0.12
0.63
1
0.48
0.84
0.11
0.6
1
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