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CC=Collection Code: [AB2X4]=ANX Form: [cF56]=Pearson: [e d a]=Wyckoff Symbol: [Al2MgO4]=Structure Type:
***Click the ANX, Pearson or Wyckoff Symbol to find structures with that symbol***.
CC=33850 Help
TitleCa3Cl2CBN, eine Verbindung mit dem neuen Anion CBN(4-).
AuthorsMeyer, H.-J.
ReferenceZeitschrift fuer Anorganische und Allgemeine Chemie (1991) 594, 113-118
Link XRef SCOPUS SCIRUS 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
0.3137(2)0.750.7009(2)01
0.1365(2)0.250.5681(2)01
0.3959(2)0.250.3628(2)01
-.0120(2)0.750.6398(3)01
0.4467(2)0.250.6060(3)01
0.2066(7)0.250.7765(9)01
0.2429(9)0.250.8967(8)01
0.2296(7)0.750.5145(8)01
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
0.0245(13)0.0104(13)0.0176(12)00.0002(10)0
0.0255(13)0.0134(14)0.0166(12)0-.0029(10)0
0.0275(14)0.0134(13)0.0263(15)0-.0071(11)0
0.0307(17)0.0201(17)0.0194(16)0-.0023(13)0
0.0295(17)0.0161(19)0.0204(16)00.0031(11)0
0.0234(62)0.0084(59)0.0251(66)0-.0058(51)0
0.0209(69)0.0056(71)0.0169(69)00.0027(54)0
0.0413(62)0.0322(66)0.0228(57)00.0054(94)0

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