Kettnerite Grice J D, Cooper M A, Hawthorne F C The Canadian Mineralogist 37 (1999) 923-927 Crystal-structure determination of twinned kettnerite _database_code_amcsd 0005626 3.7976 3.7976 13.569 90 90 90 *Pmmn .25 .25 0 atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) Ca .25 .25 .4000 .0074 .0074 .0096 0 0 0 Bi .25 .25 .09435 .0118 .0118 .0094 0 0 0 C .75 .75 .2558 .0135 .0135 .0034 0 0 0 O1 .75 .25 0 .0071 .0071 .0091 0 0 0 O2 .75 .75 .1576 .0312 .0312 .0078 0 0 0 O3 .546 .25 -.2991 .0148 .0117 .0198 0 .0047 0 F .75 .25 .5 .0125 .0125 .0114 0 0 0