Labuntsovite-Mn Golovastikov N I Soviet Physics Crystallography 18 (1973) 950-955 Crystal structure of the alkali titanosilicate labuntsovite Sample: double cell _database_code_amcsd 0015562 14.18 15.48 13.7 90 90 117 B2/m atom x y z occ Biso Ti1 0 0 0 .5 .935 Nb1 0 0 0 .5 .935 Ti2 0 0 .2291 .95 1.065 Ti2' 0 .5 .2291 .95 1.065 Ti3 .25 0 .25 .98 1.025 Ti3' .25 .5 .25 .98 1.025 Si1 .1806 .1253 .3889 .889 Si1' .1806 .6253 .3889 .889 Si2 .2077 .1514 .1105 .787 Si2' .2077 .6514 .1105 .787 K1 .0892 .4232 0 1.712 K2 .0807 .4013 .5 .6525 2.328 K2' .0807 .9013 .5 .6525 2.328 Na .0889 .7453 .2355 .684 2.084 O1 .0979 .4440 .2262 1.584 O1' .0979 .9440 .2262 1.584 O2 .0815 .0859 .1188 .874 O2' .0815 .5859 .1188 .874 O3 .0819 .0979 .3212 1.179 O3' .0819 .5979 .3212 1.179 O4 .2365 .0564 .3739 1.804 O4' .2365 .5564 .3739 1.804 O5 .2331 .2623 .1287 1.516 O5' .2331 .7623 .1287 1.516 O6 .2271 .3815 .3182 .997 O6' .2271 .8815 .3182 .997 O7 .2456 .1418 0 1.1 O7' .2456 .6418 0 1.1 O8 .1373 .1144 .5 1.149 O8' .1373 .6144 .5 1.149 OH .0892 .9232 0 1.712 Wat1 .0182 .2546 .1161 .834 2.448 Wat2 .0231 .2530 .3444 .875 2.572