Ca3 Ga2 N4
Clarke S, DiSalvo F
Journal of Alloys and Compounds 274 (1998) 118-121
Synthesis and structure of $-beta-(Ca3 Ga2 N4), a ternary nitride with
two interpenetrating three dimensional nets
_cod_database_code 1005049
_database_code_amcsd 0012816
11.210 11.210 15.914 90 90 90 *I4_1/acd
0 -.25 .125
atom      x      y      z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ga1  .41834 .12561 .18705      .0073  .0066  .0052 -.0002  .0010  .0001
Ca1   .1391  .0912   .037 .31   .016   .013   .018   .002   .001  -.002
Ca2   .1207  .0865  .0099 .69   .016   .015   .019   .005   .003   .002
Ca3   .1141  .3641   .125      .0099  .0099  .0073 -.0007 -.0003  .0003
N1    .2893  .2140  .1297       .014   .013   .016   .000  -.002   .003
N2    .3330      0    .25       .007   .006   .005      0      0   .000
N3        0    .25  .0133       .010   .010   .008   .000      0      0