Katiarsite
Mayo S C, Thomas P A, Teat S J, Loiacono G M, Loiacono D N
Acta Crystallographica B50 (1994) 655-662
Structure and non-linear optical properties of KTiOAsO4
Locality: synthetic
_database_code_amcsd 0020226
13.138 6.582 10.787 90 90 90 Pna2_1
atom      x       y       z U(1,1) U(2,2) U(3,3)  U(1,2) U(1,3) U(2,3)
K1   .37725   .7802   .6856  .0404  .0160  .0357   .0037 -.0105 -.0033
K2   .10748   .6977   .9288  .0175  .0253  .0404   .0052 -.0002  .0008
Ti1  .37445  .50584 -.00233  .0045  .0047  .0060  -.0003  .0002 -.0006
Ti2  .24717  .26783  .74776  .0035  .0064  .0056  -.0007 -.0009  .0019
As1  .49807  .33035  .74007  .0040  .0063  .0069  -.0002  .0070 -.0004
As2  .18139  .50645  .48803  .0069  .0047  .0068  -.0005 -.0005  .0007
O1    .4871   .4948   .8562   .013   .014   .012  -.0039   .003 -.0070
O2    .5066   .4659   .6072   .007   .015   .014   .0031  .0021   .007
O3    .3939   .1822   .7214  .0046   .010   .015  -.0003 -.0023 -.0006
O4    .5988   .1738   .7599  .0044   .009   .015  -.0006 -.0009  .0032
O5    .2206   .9569   .3601   .005   .012   .011    .001  .0027   .001
O6    .2177   .0555   .6101   .015   .009   .011    .001 -.0049  -.004
O7    .1081   .3057   .4517   .010  .0036   .017  -.0035 -.0036 -.0018
O8    .1057   .7065   .5160   .014   .008   .017   .0021   .005   .002
O9    .2620   .5414   .3664   .010   .013   .009    .004  .0049  .0050
O10   .2596   .4648   .6088   .013   .010   .012   -.004  -.007  .0050