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CC=Collection Code: [AB2X4]=ANX Form: [cF56]=Pearson: [e d a]=Wyckoff Symbol: [Al2MgO4]=Structure Type:
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TitleSulfosalts with alkaline earth metals. Centrosymmetric vs acentric interplay in Ba3 Sb4.66 S10 and Ba2.62 Pb1.38 Sb4 S10 based on the Ba/Pb/Sb ratio. Phases related to arsenosulfide minerals of the rathite group and novel polysulfide Sr6 Sb6 S17.
AuthorsChoi, K.-S.;Kanatzidis, M.G.
ReferenceInorganic Chemistry (2000) 39, 565-566
Link XRef SCOPUS Google
CompoundS17 Sb6 Sr6 - Strontium antimony sulfide (6/6/17) [A6B6X3Y14] [oP116] [a29] []
Cell8.2871(9), 15.352(2), 22.8730(30), 90., 90., 90.
P212121 (19) V=2909.98
RemarksR=0.032000 : T =298 : M =S :
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.

Atom (site) Oxid. x, y, z, B, Occupancy
Sb1(4a)3
Sb2(4a)3
Sb3(4a)3
Sb4(4a)3
Sb5(4a)3
Sb6(4a)3
Sr1(4a)2
Sr2(4a)2
Sr3(4a)2
Sr4(4a)2
Sr5(4a)2
Sr6(4a)2
S1(4a)-2
S2(4a)-2
S3(4a)-2
S4(4a)-2
S5(4a)-2
S6(4a)-2
S7(4a)-2
S8(4a)-2
S9(4a)-2
S10(4a)-2
S11(4a)-2
S12(4a)-2
S13(4a)-2
S14(4a)-2
S15(4a)-0.667
S16(4a)-0.667
S17(4a)-0.667
0.000.300.2401
0.470.290.2301
0.510.180.0801
0.000.670.4301
0.530.420.0901
0.010.420.1001
0.240.160.3701
0.240.660.1201
0.250.040.2101
0.240.550.2801
0.240.050.5401
0.240.440.4501
0.290.140.6801
0.250.340.3001
0.000.150.2701
0.500.150.2801
0.280.230.1501
0.500.020.1101
0.720.220.1401
0.270.370.0001
0.000.030.1101
0.720.370.0101
0.490.060.4401
0.260.020.8301
0.000.560.0501
0.230.470.1601
0.490.290.4201
0.130.240.5001
0.000.290.4301
Atom (site) Oxid. U11, U22, U33, U12, U13, U23
Sb1(4a)3
Sb2(4a)3
Sb3(4a)3
Sb4(4a)3
Sb5(4a)3
Sb6(4a)3
Sr1(4a)2
Sr2(4a)2
Sr3(4a)2
Sr4(4a)2
Sr5(4a)2
Sr6(4a)2
S1(4a)-2
S2(4a)-2
S3(4a)-2
S4(4a)-2
S5(4a)-2
S6(4a)-2
S7(4a)-2
S8(4a)-2
S9(4a)-2
S10(4a)-2
S11(4a)-2
S12(4a)-2
S13(4a)-2
S14(4a)-2
S15(4a)-0.667
S16(4a)-0.667
S17(4a)-0.667
0.010.010.01-.00-.000.00
0.020.010.010.000.000.00
0.010.010.010.000.000.00
0.020.010.02-.00-.000.00
0.020.010.010.00-.000.00
0.020.010.010.000.000.00
0.010.010.010.000.000.00
0.010.010.010.000.000.00
0.010.010.01-.000.000.00
0.010.020.010.000.00-.00
0.010.010.010.00-.00-.00
0.010.010.010.00-.00-.00
0.010.010.02-.00-.000.00
0.010.010.010.00-.000.00
0.010.010.010.000.00-.00
0.010.010.010.00-.00-.00
0.010.010.01-.000.00-.00
0.010.010.01-.00-.00-.00
0.010.010.020.000.000.00
0.010.010.020.00-.00-.00
0.010.010.010.000.000.00
0.010.010.01-.000.00-.00
0.010.010.010.000.000.00
0.010.010.010.000.00-.00
0.010.010.010.000.000.00
0.020.010.010.000.000.00
0.010.010.01-.000.00-.00
0.010.010.010.000.000.00
0.010.010.01-.00-.000.00

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