Walstromite-(Ca,Sr)
Dorsam G, Liebscher A, Wunder B, Franz G, Gottschalk M
European Journal of Mineralogy 21 (2009) 705-714
Crystal structure refinement of synthetic Ca0.43Sr0.57[SiO3]-walstromite
and walstromite-fluid Ca-Sr distribution at upper-mantle conditions
Locality: synthetic
_database_code_amcsd 0007324
6.7580 9.464 6.7507 83.22 76.83 70.33 P-1
atom     x      y      z occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
CaA1 .7555  .0022  .7365 .30 .0109  .0085  .0112  .0120 -.0028 -.0006 -.0010
SrA1 .7555  .0022  .7365 .70 .0109  .0085  .0112  .0120 -.0028 -.0006 -.0010
CaA2 .9308  .3353  .5683 .98 .0109  .0090  .0129  .0114 -.0046 -.0009 -.0017
SrA2 .9308  .3353  .5683 .02 .0109  .0090  .0129  .0114 -.0046 -.0009 -.0017
CaA3 .2924  .3556  .9217 .02 .0144  .0123  .0118  .0174 -.0045  .0028 -.0039
SrA3 .2924  .3556  .9217 .98 .0144  .0123  .0118  .0174 -.0045  .0028 -.0039
Si1  .4840  .3029  .4433     .0098  .0062  .0110  .0118 -.0031 -.0002 -.0017
Si2  .7264  .0151  .2313     .0098  .0081  .0104  .0107 -.0032 -.0009 -.0016
Si3  .8431  .2889  .1005     .0100  .0086  .0108  .0102 -.0033 -.0007 -.0005
O1   .2412  .4024  .5193     .0123  .0077  .0120  .0152 -.0017  .0005 -.0026
O2   .6178  .2721  .6211     .0131  .0090  .0158  .0149 -.0039 -.0026 -.0016
O3   .5046  .1379  .3609     .0138  .0111  .0123  .0175 -.0051  .0028 -.0056
O4   .6518 -.0910  .1197     .0133  .0126  .0126  .0153 -.0050 -.0016 -.0030
O5   .8974 -.0640  .3708     .0135  .0101  .0160  .0143 -.0034 -.0033 -.0006
O6   .8147  .1308  .0513     .0124  .0132  .0108  .0125 -.0047  .0009 -.0023
O7   .8888  .3927 -.0965     .0126  .0140  .0138  .0098 -.0057      0 -.0006
O8   .0229  .2609  .2318     .0142  .0114  .0191  .0125 -.0047 -.0030 -.0012
O9   .6013  .3813  .2347     .0134  .0107  .0103  .0161 -.0021  .0008  .0001