American Mineralogist Crystal Structure Database

1 matching records for this search.

Klajite
 
Plasil J, Kasatkin A V, Skoda R, Skacha P
 
Mineralogical Magazine 78 (2014) 119-129
Klajite, MnCu4(AsO4)2(AsO3OH)2(H2O)10, from Jachymov (Czech Republic):
the second world occurrence
Locality: Sv. Trojice vein, Svornost mine, Jachymov, Czech Republic
_database_code_amcsd 0020070
6.4298 7.9716 10.707 85.737 80.944 84.982 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)
Mn       -.5     .5     .5  .46 .0296   .020   .021   .047 -.0019   .001  -.004
Ca       -.5     .5     .5  .22 .0296   .020   .021   .047 -.0019   .001  -.004
Cu       -.5     .5     .5  .07 .0296   .020   .021   .047 -.0019   .001  -.004
Mg       -.5     .5     .5  .02 .0296   .020   .021   .047 -.0019   .001  -.004
Cu1   -.3893  .1325  .0604  .96 .0227  .0100  .0135  .0460 -.0011 -.0045 -.0104
Mg1   -.3893  .1325  .0604  .03 .0227  .0100  .0135  .0460 -.0011 -.0045 -.0104
Ca1   -.3893  .1325  .0604  .01 .0227  .0100  .0135  .0460 -.0011 -.0045 -.0104
Cu2    .1057  .5741  .0952  .96 .0228  .0114  .0138  .0449 -.0015 -.0071 -.0058
Mg2    .1057  .5741  .0952  .03 .0228  .0114  .0138  .0449 -.0015 -.0071 -.0058
Ca2    .1057  .5741  .0952  .01 .0228  .0114  .0138  .0449 -.0015 -.0071 -.0058
As1    .0867 .11813 .12977      .0211  .0102  .0094  .0449 -.0009 -.0060 -.0063
As2   -.4163 .51739 .16079  .97 .0204  .0090  .0116  .0417 -.0004 -.0057 -.0049
Si2   -.4163 .51739 .16079  .03 .0204  .0090  .0116  .0417 -.0004 -.0057 -.0049
O1    -.4677  .3092  .1914       .023
O2     .0051 -.0168  .2466       .030   .016   .017   .061  -.006  -.012  -.013
O3     .1354  .2972  .2014       .028   .023   .017   .041   .004  -.002  -.004
Wat4  -.7933  .4026  .4529       .042   .037   .049   .045  -.004  -.018  -.012
Wat5   .0156  .6539  .2656       .030   .009   .017   .064   .001  -.006  -.011
O6    -.3974  .5890  .2986       .026   .028   .019   .030  -.001  -.002  -.009
Wat7   .5838  .9527  .2658       .030   .038   .022   .034  -.002  -.018  -.008
O8     .3250  .0625  .0463  .77  .018   .010   .016   .030   .001  -.007  -.007
OH8    .3250  .0625  .0463  .23  .018   .010   .016   .030   .001  -.007  -.007
O9     .2375  .0475  .4383       .052   .052   .049   .053  -.018  -.006   .019
Wat10 -.3227  .2571  .4322       .054   .044   .035   .082   .005  -.015  -.001
O11   -.1860  .5390  .0612       .016
O12   -.0881  .1711  .0300       .019
O13   -.6044  .6314  .0939       .022
H1       .06   .321   .277      .0333
H2     .1646   .055  .3715       .062
H3     .1493   .023  .5106       .062
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