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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=391128 Help
TitleBa3 P3 I2 und Ba5 P5 I3: Stufenweise Oxidation von Bariumphosphid mit Iod.
AuthorsNuss, J.;Jansen, M.
ReferenceZeitschrift fuer Anorganische und Allgem (2003) 629, 387-393
Link XRef SCOPUS Google
CompoundBa3 I2 P3 - Barium triphosphide iodide (3/1/2) [A3X2Y3] [oP32] [c8] []
Cell17.195(4), 4.6244(15), 14.272(4), 90., 90., 90.
PNMA (62) V=1134.86
RemarksR=0.067000 :
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
Ba1(4c)2
Ba2(4c)2
Ba3(4c)2
I1(4c)-1
I2(4c)-1
P1(4c)-1.333
P2(4c)-1.333
P3(4c)-1.333
0.370.250.880.021
0.650.250.780.021
0.140.250.040.031
0.460.250.110.021
0.490.250.630.031
0.720.250.990.011
0.710.250.250.011
0.780.250.120.031
Atom (site) Oxid. U11, U22, U33, U12, U13, U23
Ba1(4c)2
Ba2(4c)2
Ba3(4c)2
I1(4c)-1
I2(4c)-1
P1(4c)-1.333
P2(4c)-1.333
P3(4c)-1.333
0.010.030.020-0.00
0.010.030.0200.000
0.020.030.040-0.00
0.020.020.0200.000
0.030.030.030-0.00
0.010.010.0000.000
0.010.010.010-0.00
0.020.040.020-0.00

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