Tienshanite Cooper M A, Hawthorne F C The Canadian Mineralogist 36 (1998) 1305-1310 Refinement of the crystal structure of tienshanite: short-range-order constraints on chemical composition _database_code_amcsd 0005580 16.785 16.785 10.454 90 90 120 P6/m atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) Ba .18579 .50676 0 .0136 .0157 .0131 .0113 .0068 0 0 Ti1 .34879 .41959 0 .0041 Ti2 .3746 .4342 0 .0041 Mn .13608 .22088 0 .0100 .0116 .0087 .0062 0 0 Ca 1/3 2/3 .5 .0056 .0056 .0049 .0028 0 0 K 0 0 .5 .0237 .0237 .0222 .0118 0 0 Na1 .5180 .5 .5 .0164 Na2 .1875 .3419 .5 .0176 .0234 .0194 .0052 0 0 Si1 .32540 .50460 .27216 .0065 .0066 .0059 .0036 -.0004 -.0009 Si2 .36326 .34795 .28635 .0073 .0068 .0076 .0042 -.0008 .0002 Si3 .19159 .16323 .28020 .0081 .0072 .0083 .0044 -.0002 -.0000 B .1763 .5125 .3728 .0063 .0065 .0048 .0025 .0003 -.0001 O1 .5 .5 0 .0071 .0113 .0248 .0018 0 0 O2 .3718 .3513 .1332 .0168 .0116 .0064 .0095 -.0007 .0001 O3 .0445 .2890 .3381 .0144 .0102 .0132 .0075 -.0021 -.0012 O4 .3611 .5147 .1267 .0145 .0101 .0073 .0068 .0015 -.0006 O5 .3248 .4150 .3381 .0159 .0131 .0091 .0114 .0020 .0020 O6 .0770 .4598 .3582 .0073 .0090 .0112 .0037 -.0004 -.0026 O7 .2275 .3586 0 .0106 .0161 .0223 .0067 0 0 O8 .1877 .1605 .1287 .0156 .0145 .0087 .0096 -.0001 -.0005 O9 .2079 .6126 .3576 .0111 .0051 .0106 .0032 -.0029 .0004 O10 .2201 .4850 .2731 .0065 .0125 .0079 .0053 -.0006 -.0027 O11 .5011 .2931 .5 .0099 .0081 .0047 .0048 0 0 O12 .1785 .0681 .3431 .0198 .0099 .0118 .0083 -.0007 -.0005 F 1/3 2/3 0 .0135 .0135 .0390 .0067 0 0