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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=411364 Help
TitleSyntheses, vibrational spectroscopy, and crystal structure determination from X-ray powder diffraction data of alkaline earth dicyanamides M (N (C N)2)2 with M = Mg, Ca, Sr, and Ba.
AuthorsJuergens, B.;Irran, E.;Schnick, W.
ReferenceIC&volume=157&fpage=241&details=yes target=icsd_help>Journal of Solid State Chemistry (2001) 157, 241-249
Link XRef SCOPUS Google
CompoundC4 Ba1 N6 - Barium bis(dicyanamide) [AN4O4X2] [oP44] [c11] []
Cell13.6868(7), 4.2907(7), 12.26256(21), 90., 90., 90.
PNMA (62) V=720.13
RemarksR=0.038000 : X M =N :
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
N1(4c)0
C1(4c)0
N2(4c)-1
C2(4c)0
N3(4c)0
N4(4c)0
C3(4c)0
N5(4c)-1
N6(4c)0
C4(4c)0
0.210.250.370.021
-.070.250.610.031
0.010.250.610.011
0.110.250.590.031
0.170.250.670.011
0.230.250.740.031
0.210.250.000.031
0.160.250.060.011
0.100.250.160.031
-.070.250.150.031
0.000.250.150.011

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