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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=26333 Help
TitleEtude du systeme Sn S - Ba S: Structure de Ba Sn2 S3.
Authorsdel Bucchia, S.;Jumas, J.C.;Maurin, M.
ReferenceActa Crystallographica B (1980) 36, 2935-2940
Link XRef SCOPUS SCIRUS Google
Also: Phase Transition (1992) 38, 127-220
Link XRef SCOPUS SCIRUS Google
CompoundBa1 S3 Sn2 - Barium ditin sulfide [AB2X3] [mP36] [f6 e6] []
Cell6.139(4), 13.493(9), 12.235(8), 90., 108.49(4), 90.
P121/M1 (11) V=961.15
RemarksR=0.042000 : PDF =42-781 :
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.
Stable up to 953 K (2nd ref.)

Atom (site) Oxid. x, y, z, B, Occupancy
Ba1(4f)2
Ba2(2e)2
Sn1(4f)2
Sn2(2e)2
Sn3(4f)2
Sn4(2e)2
S1(4f)-2
S2(4f)-2
S3(4f)-2
S4(2e)-2
S5(2e)-2
S6(2e)-2
0.3326(3)0.0784(1)0.1280(1)01
0.6468(4)0.250.5254(2)01
0.2282(3)0.1136(1)0.7730(2)01
0.7431(5)0.250.8998(2)01
0.2256(3)0.0526(1)0.4474(2)01
0.8211(4)0.250.2086(2)01
0.791(1)0.0727(5)0.3854(6)01
0.797(1)0.0788(5)0.7100(5)01
0.790(1)0.1055(5)0.0504(6)01
0.239(2)0.250.2840(8)01
0.196(1)0.250.6223(8)01
0.181(1)0.250.9313(9)01
Atom (site) Oxid. U11, U22, U33, U12, U13, U23
Ba1(4f)2
Ba2(2e)2
Sn1(4f)2
Sn2(2e)2
Sn3(4f)2
Sn4(2e)2
S1(4f)-2
S2(4f)-2
S3(4f)-2
S4(2e)-2
S5(2e)-2
S6(2e)-2
0.0166(8)0.0101(6)0.0194(7)0.0012(7)0.0096(7)0.0015(7)
0.0086(10)0.0059(9)0.0149(11)00.0015(9)0
0.0097(9)0.0215(8)0.0134(9)-0.0002(8)0.0005(7)0.0036(8)
0.0167(13)0.0188(12)0.0119(12)00.0031(10)0
0.0088(8)0.0184(9)0.0149(9)-0.0001(8)-0.0025(7)0.0037(8)
0.0089(12)0.0162(12)0.0211(15)00.0031(11)0
0.0057(27)0.0113(28)0.0155(32)0.0025(28)0.0058(23)0.0024(28)
0.0088(27)0.0054(25)0.0106(33)-0.0011(27)0.0029(25)0.0008(28)
0.0074(31)0.0106(29)0.0170(27)-0.0017(27)0.0065(26)0.0017(29)
0.0063(43)0.0160(42)0.0147(50)00.0033(38)0
0.0051(43)0.0054(37)0.0156(48)00.0015(38)0
0.0065(44)0.0055(39)0.0165(48)00.0080(38)0

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