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1 entry selected.
CC=Collection Code: [AB2X4]=ANX Form: [cF56]=Pearson: [e d a]=Wyckoff Symbol: [Al2MgO4]=Structure Type:
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CC=380222 Help
TitleLi6-x Csx B10 Q18 (Q= S, Se; X<>1): New chalcogenoborates with polymeric layered anion networks.
AuthorsKuchinke, J.;Lindemann, A.;Koester, C.;Doech, M.;Pruss, T.;Krebs, B.
ReferencePhosphorus, Sulfur, Silicon and Related (2001) 169, 281-284
Link XRef SCOPUS Google
CompoundB10 Cs0.96 Li5.16 Se18 - Lithium caesium boride selenide (5.16/0.96/10/18) [] [tI136] [i h3 g f e3 a] []
Cell10.0285(14), 10.0285(14), 27.743(6), 90., 90., 90.
I41/AMDZ (141) V=2790.14
RemarksR=0.052000 : D
A site occupation is implausible or meaningless but agrees with the paper.
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.
At least one temperature factor is implausible or meaningless but agrees with the value given in the paper.

Atom (site) Oxid. x, y, z, B, Occupancy
Cs1(4a)0
Li1(8e)0
Li2(16f)0
Se1(8e)0
Se2(32i)0
Se3(16h)0
Se4(16h)0
B1(16h)0
B2(16g)0
B3(8e)0
00.25-.120.030.95
00.250.130.070.5(
0.24000.091.04
00.250.000.021
0.160.070.080.021
0.50.070.080.011
0.330.25-.000.021
0.160.250.040.021
0.330.410.120.011
0.50.250.040.021
Atom (site) Oxid. U11, U22, U33, U12, U13, U23
Cs1(4a)0
Li1(8e)0
Li2(16f)0
Se1(8e)0
Se2(32i)0
Se3(16h)0
Se4(16h)0
B1(16h)0
B2(16g)0
B3(8e)0
0.040.040.02000
0.040.180.00000
0.220.010.0200-0.0
0.010.020.01000
0.010.020.02-0.0-0.00.00
0.010.010.01000.00
0.010.020.010-0.00
0.020.020.0100.000
0.010.010.010.00-0.0-0.0
0.020.020.01000

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