American Mineralogist Crystal Structure Database

1 matching records for this search.

Tienshanite
Download hom/tienshanite.pdf
Cooper M A, Hawthorne F C
Download cm/vol36/CM36_1305.pdf
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
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