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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=411134 Help
TitleBi9 Rh2 Br3, Bi9 Rh2 I3 und Bi9 Ir2 I3 - Eine neue Strukturfamilie quasi-eindimensionaler Metalle.
AuthorsRuck, M.;Heich, R.M.
ReferenceZeitschrift fuer Anorganische und Allgem (2000) 626, 244-245
Link XRef SCOPUS Google
CompoundBi9 I3 Ir2 - Bismuth iridium iodide (9/2/3) [N2O3P9] [oP112] [d10 c8] []
Cell26.7750(50), 13.942(2), 9.6757(10), 90., 90., 90.
PNMA (62) V=3611.91
RemarksR=0.039100 :
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
Bi1(4c)0
Bi2(4c)0
Bi3(4c)0
Bi4(8d)0
Bi5(8d)0
Bi6(8d)0
Bi7(8d)0
Bi8(8d)0
Bi9(8d)0
Bi10(4c)0
Bi11(4c)0
Bi12(4c)0
Ir1(8d)0
Ir2(8d)0
I1(4c)0
I2(4c)0
I3(8d)0
I4(8d)0
0.410.750.0001
0.390.750.3301
0.280.750.1701
0.320.63-.1001
0.450.530.2501
0.330.530.4001
0.410.47-.0101
0.280.460.1301
0.420.360.4901
0.450.250.2101
0.350.250.0401
0.320.250.3701
0.360.600.1501
0.380.390.2301
0.530.750.1701
0.280.750.5401
0.170.600.2301
0.560.390.3401
Atom (site) Oxid. U11, U22, U33, U12, U13, U23
Bi1(4c)0
Bi2(4c)0
Bi3(4c)0
Bi4(8d)0
Bi5(8d)0
Bi6(8d)0
Bi7(8d)0
Bi8(8d)0
Bi9(8d)0
Bi10(4c)0
Bi11(4c)0
Bi12(4c)0
Ir1(8d)0
Ir2(8d)0
I1(4c)0
I2(4c)0
I3(8d)0
I4(8d)0
0.010.010.0100.000
0.020.010.010-.000
0.010.010.0100.000
0.020.020.01-.00-.00-.00
0.010.010.01-.00-.000.00
0.020.010.010.000.000.00
0.020.010.010.000.00-.00
0.020.010.02-.00-.000.00
0.020.020.010.00-.00-.00
0.010.010.0100.000
0.020.010.010-.000
0.010.010.0100.000
0.010.000.000.00-.000.00
0.010.000.000.000.000.00
0.020.010.010-.000
0.020.020.0200.000
0.020.020.020.000.00-.00
0.030.020.02-.00-.000.00

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