Warning: Compilation failed: nothing to repeat at offset 0 in /srv/www/htdocs/icsd/dbconfig.php on line 84

Warning: Compilation failed: nothing to repeat at offset 0 in /srv/www/htdocs/icsd/dbconfig.php on line 85
ICSD for WWW : Details

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.
ReferenceSolid State Ionics (1998) 109, 55-64
Link XRef SCOPUS SCIRUS 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 : DEF MXD =Fe : PDF =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
0.66670.3333000.23
0.66670.3333000.413
0.33330.66670.500.23
0.33330.66670.500.413
000.2479(2)00.646
000.2479(2)00.018
000.007300.646
000.007300.018
000.007300.14
000.007300.04
000.5117(2)00.646
000.5117(2)00.018
000.5117(2)00.14
000.5117(2)00.04
0.33330.66670.2214(1)00.918
0.33330.66670.2214(1)00.018
0.66670.33330.2764(2)00.918
0.66670.33330.2764(2)00.018
0.33330.66670.0582(1)00.889
0.33330.66670.0582(1)00.018
0.66670.33330.4362(2)00.889
0.66670.33330.4362(2)00.018
0.3349(5)0.1694(5)0.1406(1)00.849
0.3349(5)0.1694(5)0.1406(1)00.018
0.1720(4)0.3390(5)0.3565(1)00.849
0.1720(4)0.3390(5)0.3565(1)00.018
000.0957(7)00.14
000.0957(7)00.09
000.0957(7)00.674
000.4005(4)00.14
000.4005(4)00.09
000.4005(4)00.674
0.66670.33330.1970(4)00.95
0.66670.33330.1970(4)00.025
0.66670.33330.1970(4)00.004
0.33330.66670.3075(5)00.95
0.33330.66670.3075(5)00.025
0.33330.66670.3075(5)00.004
0.203(1)0.3696(14)000.9
0.3517(14)0.1947(10)0.500.9
0.1544(10)0.3182(11)0.1978(3)00.86
0.3010(12)0.1457(10)0.3021(3)00.86
0.5(1)0.4943(9)0.0991(2)00.91
0.4882(13)0.4830(13)0.4041(4)00.91
000.1529(13)00.21
000.3611(15)00.21
0.5104(15)0.4939(15)000.107
0.4848(14)0.5253(14)0.500.107
0.66670.33330.119(1)00.11
0.33330.66670.3916(13)00.11
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
0.0632(28)0.0632(28)0.0910(17)0.0312(28)00
0.0632(28)0.0632(28)0.0910(17)0.0312(28)00
0.0167(18)0.0167(18)0.0191(16)0.0084(18)00
0.0167(18)0.0167(18)0.0191(16)0.0084(18)00
0.0332(6)0.0332(6)0.038(1)0.0166(6)00
0.0332(6)0.0332(6)0.038(1)0.0166(6)00
0.0171(9)0.0171(9)0.0059(17)0.00855(9)00
0.0171(9)0.0171(9)0.0059(17)0.00855(9)00
0.0171(9)0.0171(9)0.0059(17)0.00855(9)00
0.0171(9)0.0171(9)0.0059(17)0.00855(9)00
0.0342(14)0.0342(14)0.0237(16)0.0171(14)00
0.0342(14)0.0342(14)0.0237(16)0.0171(14)00
0.0342(14)0.0342(14)0.0237(16)0.0171(14)00
0.0342(14)0.0342(14)0.0237(16)0.0171(14)00
0.0245(6)0.0245(6)0.0250(9)0.0123(6)00
0.0245(6)0.0245(6)0.0250(9)0.123(6)00
0.0354(8)0.0354(8)0.0446(12)0.0177(8)00
0.0354(8)0.0354(8)0.0446(12)0.0177(8)00
0.0198(5)0.0198(5)0.0222(9)0.0099(5)00
0.0198(5)0.0198(5)0.0222(9)0.0099(5)00
0.0447(10)0.0447(10)0.0463(10)0.0224(10)00
0.0447(10)0.0447(10)0.0463(10)0.0224(10)00
0.0283(6)0.0300(6)0.0218(7)0.0144(5)0.0057(7)0.0039(8)
0.0283(6)0.0300(6)0.0218(7)0.0144(5)0.0057(7)0.0039(8)
0.0311(7)0.0310(7)0.0343(8)0.0158(6)0.0016(7)0.0035(7)
0.0311(7)0.0310(7)0.0343(8)0.0158(6)0.0016(7)0.0035(7)
0.0632(28)0.0632(28)0.0910(17)0.0312(28)00
0.0632(28)0.0632(28)0.0910(17)0.0312(28)00
0.0632(28)0.0632(28)0.0910(17)0.0312(28)00
0.0167(18)0.0167(18)0.0191(16)0.0084(18)00
0.0167(18)0.0167(18)0.0191(16)0.0084(18)00
0.0167(18)0.0167(18)0.0212(16)0.0084(18)00
0.0167(18)0.0167(18)0.0212(16)0.0084(18)00
0.0167(18)0.0167(18)0.0212(16)0.0084(18)00
0.0167(18)0.0167(18)0.0212(16)0.0084(18)00
0.0470(26)0.0470(26)0.0487(17)0.0235(26)00
0.0470(26)0.0470(26)0.0487(17)0.0235(26)00
0.0470(26)0.0470(26)0.0487(17)0.0235(26)00
0.0490(16)0.0541(16)0.0399(16)0.0234(16)00
0.0360(16)0.0179(16)0.0649(16)0.0097(15)00
0.0118(13)0.0179(14)0.0152(14)0.0027(12)-0.0037(14)0.0012(14)
0.0446(16)0.0436(16)0.0281(15)0.0071(15)0.0161(15)0.0046(15)
0.0120(13)0.0094(12)0.0230(14)0.0062(11)-0.0012(13)-0.0004(13)
0.0399(15)0.0353(15)0.1826(17)0.0200(14)0.0257(17)0.0330(17)
0.0172(32)0.0172(32)0.0233(17)0.0086(32)00
0.0168(31)0.0168(31)0.2042(17)0.0084(31)00
0.0735(17)0.0881(17)0.0102(17)0.0022(17)00
0.0362(17)0.0066(17)0.0568(17)0.0410(16)00
0.0382(32)0.0382(32)0.0383(17)0.0191(32)00
0.1038(33)0.1038(33)0.0859(17)0.0519(33)00

Current PHP version: 4.3.8 - Current MySQL version: 4.0.21
Demo database
(The Full database will be used, if you are licensed, after the first query is entered)

Copying or publishing either the ICSD data or software without written permission is illegal.
The ICSD database is copyright © 2015 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).