ICSD for WWW

Details of the selected entries


1 entry selected.
CC=Collection Code: [AB2X4]=ANX Form: [cF56]=Pearson: [e d a]=Wyckoff Symbol: [Al2MgO4]=Structure Type:
***Click the ANX, Pearson or Wyckoff Symbol to find structures with that symbol***.
CC=50405 Help
TitleCrystal structure of nonstoichiometric mixed (Ba,K,Na) hexagonal ferrite Na0.71 Na0.64 K0.31 Fe10.55 Mg0.29 O17.30.
AuthorsStergiou, A.C.;Litsardakis, G.;Samaras, D.
ReferenceIC&volume=109&fpage=55&details=yes target=icsd_help>Solid State Ionics (1998) 109, 55-64
Link XRef SCOPUS Google
CompoundBa0.69 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] []
Cell5.910(1), 5.910(1), 23.203(7), 90., 90., 120.
P6- (174) V=701.86
RemarksR=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
0.660.33000.23
0.660.33000.41
0.330.660.500.23
0.330.660.500.41
000.2400.64
000.2400.01
000.0000.64
000.0000.01
000.0000.14
000.0000.04
000.5100.64
000.5100.01
000.5100.14
000.5100.04
0.330.660.2200.91
0.330.660.2200.01
0.660.330.2700.91
0.660.330.2700.01
0.330.660.0500.88
0.330.660.0500.01
0.660.330.4300.88
0.660.330.4300.01
0.330.160.1400.84
0.330.160.1400.01
0.170.330.3500.84
0.170.330.3500.01
000.0900.14
000.0900.09
000.0900.67
000.4000.14
000.4000.09
000.4000.67
0.660.330.1900.95
0.660.330.1900.02
0.660.330.1900.00
0.330.660.3000.95
0.330.660.3000.02
0.330.660.3000.00
0.200.36000.9
0.350.190.500.9
0.150.310.1900.86
0.300.140.3000.86
0.5(0.490.0900.91
0.480.480.4000.91
000.1500.21
000.3600.21
0.510.49000.10
0.480.520.500.10
0.660.330.1100.11
0.330.660.3900.11
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
0.060.060.090.0300
0.060.060.090.0300
0.010.010.010.0000
0.010.010.010.0000
0.030.030.030.0100
0.030.030.030.0100
0.010.010.000.0000
0.010.010.000.0000
0.010.010.000.0000
0.010.010.000.0000
0.030.030.020.0100
0.030.030.020.0100
0.030.030.020.0100
0.030.030.020.0100
0.020.020.020.0100
0.020.020.020.1200
0.030.030.040.0100
0.030.030.040.0100
0.010.010.020.0000
0.010.010.020.0000
0.040.040.040.0200
0.040.040.040.0200
0.020.030.020.010.000.00
0.020.030.020.010.000.00
0.030.030.030.010.000.00
0.030.030.030.010.000.00
0.060.060.090.0300
0.060.060.090.0300
0.060.060.090.0300
0.010.010.010.0000
0.010.010.010.0000
0.010.010.020.0000
0.010.010.020.0000
0.010.010.020.0000
0.010.010.020.0000
0.040.040.040.0200
0.040.040.040.0200
0.040.040.040.0200
0.040.050.030.0200
0.030.010.060.0000
0.010.010.010.00-0.00.00
0.040.040.020.000.010.00
0.010.000.020.00-0.0-0.0
0.030.030.180.020.020.03
0.010.010.020.0000
0.010.010.200.0000
0.070.080.010.0000
0.030.000.050.0400
0.030.030.030.0100
0.100.100.080.0500

Demo database


Copying or publishing either the ICSD data or software without written permission is illegal.
The ICSD database is copyright © 2018 by Fachinformationszentrum (FIZ) Karlsruhe
The PHP-mySQL WWW interface is copyright © 2003-2015 by Peter Hewat
The 3D crystal structure visualisation software, xtal-3d is copyright © 1994-2015 by Marcus Hewat
The PHP-JMOL drawing software is copyright © 2006-2015 by Alan Hewat
Please report technical problems with ICSD for WWW to alan.hewat[a]neutronoptics.com (Alan Hewat).