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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 nonstoichiometric mixed (Ba,K,Na) hexagonal ferrite Na0.71 Na0.64 K0.31 Fe10.55 Mg0.29 O17.30.
Authors
Stergiou, A.C.;Litsardakis, G.;Samaras, D.
Reference
IC&volume=109&fpage=55&details=yes target=icsd_help>Solid State Ionics (1998)
109
, 55-64
Link
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Compound
Ba0.69 Fe10.87 K0.3 Mg0.23 Na0.56 O17.31
- Barium sodium potassium iron magnesium oxide (0.69/0.56/0.3/10.87/0.23/17.31)
[
AB28C64D80X2164
] [
hP60
] [
l6 k2 j2 i4 h4 g7 e d
] [
]
Cell
5.910(1), 5.910(1), 23.203(7), 90., 90., 120.
P6- (174)
V=701.86
Remarks
R=0.032000 : D M =Fe : P =89-96 :
The coordinates are those given in the paper but the atomic distances do not agree with those calculated during testing.The coordinates are probably correct.
Calculated density unusual but tolerable.
Only minor deviation from P6-2c, cp. 56892
Atom (site) Oxid.
x, y, z, B, Occupancy
Na1
(1e)
1
Ba1
(1e)
2
Na2
(1d)
1
Ba2
(1d)
2
Fe1
(2g)
2.773
Mg1
(2g)
2
Fe2
(2g)
2.773
Mg2
(2g)
2
Ba3
(2g)
2
K1
(2g)
1
Fe3
(2g)
2.773
Mg3
(2g)
2
Ba4
(2g)
2
K2
(2g)
1
Fe4
(2h)
3
Mg4
(2h)
2
Fe5
(2i)
3
Mg5
(2i)
2
Fe6
(2h)
3
Mg6
(2h)
2
Fe7
(2i)
3
Mg7
(2i)
2
Fe8
(6l)
3
Mg8
(6l)
2
Fe9
(6l)
3
Mg9
(6l)
2
Na3
(2g)
1
K3
(2g)
1
O1
(2g)
-2
Na4
(2g)
1
K4
(2g)
1
O2
(2g)
-2
O3
(2i)
-2
Na5
(2i)
1
K5
(2i)
1
O4
(2h)
-2
Na6
(2h)
1
K6
(2h)
1
O5
(3j)
-2
O6
(3k)
-2
O7
(6l)
-2
O8
(6l)
-2
O9
(6l)
-2
O10
(6l)
-2
O11
(2g)
-2
O12
(2g)
-2
O13
(3j)
-2
O14
(3k)
-2
Fe10
(2i)
2
Fe11
(2h)
2
0.66
0.33
0
0
0.23
0.66
0.33
0
0
0.41
0.33
0.66
0.5
0
0.23
0.33
0.66
0.5
0
0.41
0
0
0.24
0
0.64
0
0
0.24
0
0.01
0
0
0.00
0
0.64
0
0
0.00
0
0.01
0
0
0.00
0
0.14
0
0
0.00
0
0.04
0
0
0.51
0
0.64
0
0
0.51
0
0.01
0
0
0.51
0
0.14
0
0
0.51
0
0.04
0.33
0.66
0.22
0
0.91
0.33
0.66
0.22
0
0.01
0.66
0.33
0.27
0
0.91
0.66
0.33
0.27
0
0.01
0.33
0.66
0.05
0
0.88
0.33
0.66
0.05
0
0.01
0.66
0.33
0.43
0
0.88
0.66
0.33
0.43
0
0.01
0.33
0.16
0.14
0
0.84
0.33
0.16
0.14
0
0.01
0.17
0.33
0.35
0
0.84
0.17
0.33
0.35
0
0.01
0
0
0.09
0
0.14
0
0
0.09
0
0.09
0
0
0.09
0
0.67
0
0
0.40
0
0.14
0
0
0.40
0
0.09
0
0
0.40
0
0.67
0.66
0.33
0.19
0
0.95
0.66
0.33
0.19
0
0.02
0.66
0.33
0.19
0
0.00
0.33
0.66
0.30
0
0.95
0.33
0.66
0.30
0
0.02
0.33
0.66
0.30
0
0.00
0.20
0.36
0
0
0.9
0.35
0.19
0.5
0
0.9
0.15
0.31
0.19
0
0.86
0.30
0.14
0.30
0
0.86
0.5(
0.49
0.09
0
0.91
0.48
0.48
0.40
0
0.91
0
0
0.15
0
0.21
0
0
0.36
0
0.21
0.51
0.49
0
0
0.10
0.48
0.52
0.5
0
0.10
0.66
0.33
0.11
0
0.11
0.33
0.66
0.39
0
0.11
Atom (site) Oxid.
U11, U22, U33, U12, U13, U23
Na1
(1e)
1
Ba1
(1e)
2
Na2
(1d)
1
Ba2
(1d)
2
Fe1
(2g)
2.773
Mg1
(2g)
2
Fe2
(2g)
2.773
Mg2
(2g)
2
Ba3
(2g)
2
K1
(2g)
1
Fe3
(2g)
2.773
Mg3
(2g)
2
Ba4
(2g)
2
K2
(2g)
1
Fe4
(2h)
3
Mg4
(2h)
2
Fe5
(2i)
3
Mg5
(2i)
2
Fe6
(2h)
3
Mg6
(2h)
2
Fe7
(2i)
3
Mg7
(2i)
2
Fe8
(6l)
3
Mg8
(6l)
2
Fe9
(6l)
3
Mg9
(6l)
2
Na3
(2g)
1
K3
(2g)
1
O1
(2g)
-2
Na4
(2g)
1
K4
(2g)
1
O2
(2g)
-2
O3
(2i)
-2
Na5
(2i)
1
K5
(2i)
1
O4
(2h)
-2
Na6
(2h)
1
K6
(2h)
1
O5
(3j)
-2
O6
(3k)
-2
O7
(6l)
-2
O8
(6l)
-2
O9
(6l)
-2
O10
(6l)
-2
O11
(2g)
-2
O12
(2g)
-2
O13
(3j)
-2
O14
(3k)
-2
Fe10
(2i)
2
Fe11
(2h)
2
0.06
0.06
0.09
0.03
0
0
0.06
0.06
0.09
0.03
0
0
0.01
0.01
0.01
0.00
0
0
0.01
0.01
0.01
0.00
0
0
0.03
0.03
0.03
0.01
0
0
0.03
0.03
0.03
0.01
0
0
0.01
0.01
0.00
0.00
0
0
0.01
0.01
0.00
0.00
0
0
0.01
0.01
0.00
0.00
0
0
0.01
0.01
0.00
0.00
0
0
0.03
0.03
0.02
0.01
0
0
0.03
0.03
0.02
0.01
0
0
0.03
0.03
0.02
0.01
0
0
0.03
0.03
0.02
0.01
0
0
0.02
0.02
0.02
0.01
0
0
0.02
0.02
0.02
0.12
0
0
0.03
0.03
0.04
0.01
0
0
0.03
0.03
0.04
0.01
0
0
0.01
0.01
0.02
0.00
0
0
0.01
0.01
0.02
0.00
0
0
0.04
0.04
0.04
0.02
0
0
0.04
0.04
0.04
0.02
0
0
0.02
0.03
0.02
0.01
0.00
0.00
0.02
0.03
0.02
0.01
0.00
0.00
0.03
0.03
0.03
0.01
0.00
0.00
0.03
0.03
0.03
0.01
0.00
0.00
0.06
0.06
0.09
0.03
0
0
0.06
0.06
0.09
0.03
0
0
0.06
0.06
0.09
0.03
0
0
0.01
0.01
0.01
0.00
0
0
0.01
0.01
0.01
0.00
0
0
0.01
0.01
0.02
0.00
0
0
0.01
0.01
0.02
0.00
0
0
0.01
0.01
0.02
0.00
0
0
0.01
0.01
0.02
0.00
0
0
0.04
0.04
0.04
0.02
0
0
0.04
0.04
0.04
0.02
0
0
0.04
0.04
0.04
0.02
0
0
0.04
0.05
0.03
0.02
0
0
0.03
0.01
0.06
0.00
0
0
0.01
0.01
0.01
0.00
-0.0
0.00
0.04
0.04
0.02
0.00
0.01
0.00
0.01
0.00
0.02
0.00
-0.0
-0.0
0.03
0.03
0.18
0.02
0.02
0.03
0.01
0.01
0.02
0.00
0
0
0.01
0.01
0.20
0.00
0
0
0.07
0.08
0.01
0.00
0
0
0.03
0.00
0.05
0.04
0
0
0.03
0.03
0.03
0.01
0
0
0.10
0.10
0.08
0.05
0
0
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