Ba Ca4 Cu2 N4
Niewa R, DiSalvo F
Journal of Alloys and Compounds 279 (1998) 153-160
Breaking up chains: the nitridocuprates(I) Ba(CuN), Ba16((CuN)8)(Cu2N3)(Cu3N4)
and Ca4Ba(CuN2)2
_cod_database_code 1005052
_database_code_amcsd 0012820
8.2366 8.2366 12.5731 90 90 90 *P4/ncc
.25 -.25 0
atom      x      y      z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ba1     .25    .25 .15455  .0075  .0075  .0183      0      0      0
Ca1   .0829  .6310 .08758  .0060  .0052  .0062 -.0011 -.0002  .0001
Cu1  .40360 .59640    .25  .0076  .0076  .0040 -.0004 -.0001 -.0001
N1    .5695  .1242  .1039   .004   .009   .006  -.001  -.002  -.001