Ba9N12Nb2
Clarke S J, DiSalvo F J
Zeitschrift fur Kristallographie 212 (1997) 309-310
Crystal structure of nonabarium bis(tetranitridoniobate)nitride azide, Ba9[NbN4]2N[N3]
_database_code_amcsd 0011071
7.9979 9.6273 12.6441 75.867 85.690 87.868 P-1
atom      x      y      z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ba1  .49877 .31963 .42215  .0154  .0126  .0087  .0029 -.0023  .0020
Ba2  .47032 .62082 .12846  .0141  .0114  .0089  .0016 -.0017  .0017
Ba3  .03505 .23792 .38091  .0160  .0130  .0095 -.0013 -.0019  .0019
Ba4  .25404 .01183 .00081  .0244  .0129  .0087 -.0011 -.0029  .0028
Ba5  .17130 .58103 .38265  .0130  .0138  .0173  .0017 -.0030  .0039
Ba6  .46039 .93085 .27294  .0151  .0116  .0097  .0020 -.0014  .0028
Ba7  .01646 .07014 .72210  .0155  .0109  .0124  .0012 -.0038  .0011
Ba8  .00770 .38349 .89294  .0142  .0143  .0100  .0013 -.0016 -.0007
Ba9  .26964 .70884 .83999  .0170  .0105  .0089  .0013 -.0030  .0024
Nb1   .2689 .29598 .12013  .0109  .0087  .0048  .0009 -.0021  .0031
Nb2   .2703 .36480 .66384  .0122  .0084  .0051  .0019 -.0020  .0041
N1    .1930  .5478  .6991
N2    .2951  .3632  .2527
N3    .0587  .1914  .1248
N4    .2161  .7989  .1795
N5    .1447  .3267  .5452
N6    .2435  .2046  .7944
N7    .4925  .6326  .3771
N8    .2611  .4675  .0016
N9    .4567  .1682  .0829
N10   .2107  .9435  .4439
N11   .3002  .9274  .6286
N12   .2596  .9439  .5324