K0.008 Na0.992 O5 P Ti
Dahaoui S, Hansen N, Menaert B
Acta Crystallographica C53 (1997) 1173-1176
Na Ti O P O4 and K Ti O P O4 at 110 K
_cod_database_code 1008807
_database_code_amcsd 0016678
12.555 6.258 10.554 90 90 90 Pna2_1
atom      x      y       z  occ U(1,1) U(2,2) U(3,3)  U(1,2)  U(1,3)  U(2,3)
Ti1  .37281 .52051       0      .00318 .00269 .00280 -.00007 -.00010  .00018
O1   .29095  .5462 -.12855       .0056  .0055  .0043  -.0002  -.0015   .0014
Ti2  .22859 .28885  .23696      .00271 .00314 .00276 -.00013  .00029 -.00006
O2   .25563  .4934  .12769       .0051  .0050  .0046   .0001   .0013   .0010
P1   .48113 .34054  .26904      .00256 .00359 .00323  .00003 -.00034  .00010
O3   .47256  .5242  .17468       .0055  .0052  .0053  -.0005  -.0011   .0019
O4   .49351  .4322  .40437       .0047  .0074  .0039   .0001  -.0007  -.0014
O5   .38023 .20199  .26988       .0027  .0053  .0061  -.0009  -.0001   .0006
O6   .57531 .19186  .23620       .0030  .0059  .0061   .0008   .0005  -.0007
P2   .18359 .52416  .50642      .00396 .00252 .00293 -.00004 -.00005 -.00030
O7   .11745 .32975  .54468       .0069 .00279  .0061  -.0008   .0012   .0000
O8   .10849 .71437  .49746       .0057  .0029  .0062   .0007  -.0003   .0003
O9   .27016  .5546  .60905       .0056  .0058  .0047   .0012  -.0016  -.0016
O10  .24163  .4929  .38020       .0064  .0056  .0039  -.0010   .0013  -.0014
Na1  .34398 .79843  .27765 .984  .0143  .0088  .0096   .0012   .0024   .0001
K1     .382   .806    .324 .016  .0143  .0088  .0096   .0012   .0024   .0001
Na2  .09995 .75271  .07597       .0099  .0153  .0145   .0049  -.0021  -.0023