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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=33850 Help
TitleCa3Cl2CBN, eine Verbindung mit dem neuen Anion CBN(4-).
AuthorsMeyer, H.-J.
ReferenceZeitschrift fuer Anorganische und Allgem (1991) 594, 113-118
Link XRef SCOPUS Google
CompoundC1 B1 Ca3 Cl2 N1 - Tricalcium dichloride boraazaallylenide [AB3XYZ2] [oP32] [c8] []
Cell13.867(9), 3.847(3), 11.247(6), 90., 90., 90.
PNMA (62) V=599.99
RemarksR=0.036000 :
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
Ca1(4c)2
Ca2(4c)2
Ca3(4c)2
Cl1(4c)-1
Cl2(4c)-1
C1(4c)-4
B1(4c)3
N1(4c)-3
0.310.750.7001
0.130.250.5601
0.390.250.3601
-.010.750.6301
0.440.250.6001
0.200.250.7701
0.240.250.8901
0.220.750.5101
Atom (site) Oxid. U11, U22, U33, U12, U13, U23
Ca1(4c)2
Ca2(4c)2
Ca3(4c)2
Cl1(4c)-1
Cl2(4c)-1
C1(4c)-4
B1(4c)3
N1(4c)-3
0.020.010.0100.000
0.020.010.010-.000
0.020.010.020-.000
0.030.020.010-.000
0.020.010.0200.000
0.020.000.020-.000
0.020.000.0100.000
0.040.030.0200.000

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