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CC=Collection Code: [AB2X4]=ANX Form: [cF56]=Pearson: [e d a]=Wyckoff Symbol: [Al2MgO4]=Structure Type:
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CC=50405	Help
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 XRef SCOPUS Google
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	0.23
0.66	0.33	0	0.41
0.33	0.66	0.5	0.23
0.33	0.66	0.5	0.41
0	0	0.24	0.64
0	0	0.24	0.01
0	0	0.00	0.64
0	0	0.00	0.01
0	0	0.00	0.14
0	0	0.00	0.04
0	0	0.51	0.64
0	0	0.51	0.01
0	0	0.51	0.14
0	0	0.51	0.04
0.33	0.66	0.22	0.91
0.33	0.66	0.22	0.01
0.66	0.33	0.27	0.91
0.66	0.33	0.27	0.01
0.33	0.66	0.05	0.88
0.33	0.66	0.05	0.01
0.66	0.33	0.43	0.88
0.66	0.33	0.43	0.01
0.33	0.16	0.14	0.84
0.33	0.16	0.14	0.01
0.17	0.33	0.35	0.84
0.17	0.33	0.35	0.01
0	0	0.09	0.14
0	0	0.09	0.09
0	0	0.09	0.67
0	0	0.40	0.14
0	0	0.40	0.09
0	0	0.40	0.67
0.66	0.33	0.19	0.95
0.66	0.33	0.19	0.02
0.66	0.33	0.19	0.00
0.33	0.66	0.30	0.95
0.33	0.66	0.30	0.02
0.33	0.66	0.30	0.00
0.20	0.36	0	0.9
0.35	0.19	0.5	0.9
0.15	0.31	0.19	0.86
0.30	0.14	0.30	0.86
0.5(	0.49	0.09	0.91
0.48	0.48	0.40	0.91
0	0	0.15	0.21
0	0	0.36	0.21
0.51	0.49	0	0.10
0.48	0.52	0.5	0.10
0.66	0.33	0.11	0.11
0.33	0.66	0.39	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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