American Mineralogist Crystal Structure Database

1 matching records for this search.

Dollaseite-(Ce)
Download hom/dollaseitece.pdf
Peacor D R, Dunn P J
Download am/vol73/AM73_838.pdf
American Mineralogist 73 (1988) 838-842
Dollaseite-(Ce) (Magnesium orthite redefined): Structure refinement and
implications for F + M2+ substitutions in epidote-group minerals
Note: Mg3-x coordinate has been corrected
_database_code_amcsd 0001187
8.934 5.721 10.176 90 114.3 90 P2_1/m
atom     x     y     z  occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca1  .7627   .75 .1480 .943       .0142  .0100  .0110      0  .0086      0
Ce1  .7627   .75 .1480 .057       .0142  .0100  .0110      0  .0086      0
Ca2  .5932   .75 .4261 .020       .0072  .0134  .0073      0  .0018      0
Ce2  .5932   .75 .4261  .98       .0072  .0134  .0073      0  .0018      0
Si1  .3439   .75 .0427            .0058  .0083  .0069      0  .0019      0
Si2  .6912   .25 .2784            .0069  .0087  .0079      0  .0036      0
Si3  .1877   .75 .3220            .0064  .0072  .0067      0  .0034      0
Mg1      0     0     0 .995       .0044  .0049  .0063 -.0005  .0024 -.0004
Fe1      0     0     0 .005       .0044  .0049  .0063 -.0005  .0024 -.0004
Al2      0     0    .5 .985       .0057  .0077  .0069  .0005  .0022  .0001
Fe2      0     0    .5 .015       .0057  .0077  .0069  .0005  .0022  .0001
Mg3  .3115   .25 .2127 .872       .0045  .0074  .0057      0 -.0009      0
Fe3  .3115   .25 .2127 .128       .0045  .0074  .0057      0 -.0009      0
O1   .2450 .9917 .0369            .0082  .0084  .0087  .0011  .0022  .0010
O2   .3120 .9743 .3615            .0104  .0104  .0078 -.0016  .0028 -.0012
O3   .8020 .0153 .3336            .0109  .0079  .0108  .0008  .0004 -.0008
F4   .0607   .25 .1457  .87       .0084  .0111  .0074      0  .0023      0
O4   .0607   .25 .1457  .13       .0084  .0111  .0074      0  .0023      0
O5   .0455   .75 .1564            .0061  .0122  .0044      0  .0004      0
O6   .0768   .75 .4172            .0106  .0099  .0141      0  .0080      0
O7   .5174   .75 .1806            .0053  .0152  .0088      0 -.0006      0
O8   .5474   .25 .3324            .0050  .0306  .0147      0  .0038      0
O9   .6154   .25 .1008            .0098  .0267  .0050      0  .0025      0
O10  .0917   .25 .4342            .0069  .0123  .0085      0  .0040      0
H     .068   .25  .333       .02
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