American Mineralogist Crystal Structure Database

1 matching records for this search.

Whiteite
 
Capitelli F, Chita G, Cavallo A, Bellatreccia F, Ventura G
 
Zeitschrift fur Kristallographie 226 (2011) 731-738
Crystal structure of whiteite-(CaFeMg) from Crosscut Creek, Canada
Locality: Crosscut Creek, Yukon, Canada
_database_code_amcsd 0019137
14.8700 6.9785 9.9268 90 110.110 90 P2/a
atom      x       y      z   occ   Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3)  U(2,3)
Al1       0       0      0 1.024 .01103  .0108  .0098  .0125 -.0001  .0040  -.0005
Al2       0      .5      0 1.024 .01178  .0113  .0110  .0132  .0002  .0046   .0009
Mg1      .5       0     .5 1.005  .0145  .0143  .0137  .0145 -.0005  .0036  -.0032
Mg2     .25  .49738     .5 1.005  .0138  .0143  .0147  .0128      0  .0052       0
Ca      .25 -.02734      0   .95  .0214  .0209  .0120  .0235      0 -.0023       0
Na      .25 -.02734      0   .11  .0214  .0209  .0120  .0235      0 -.0023       0
Fe      .25  .47421      0  .900 .01315  .0137  .0128  .0132      0 .00495       0
P1   .18055  .26402 .18581       .01164  .0110  .0126  .0108 .00045 .00318 -.00027
O1   .27407   .2383 .15106        .0212  .0147  .0296  .0209  .0072  .0080   .0047
O2   .20254  .29773 .34383        .0193  .0259  .0187  .0122 -.0016  .0052  -.0017
O3   .12060  .08277 .13629        .0207  .0210  .0130  .0207 -.0023 -.0022   .0005
O4   .13388  .43949 .08982        .0141  .0115  .0134  .0168  .0002  .0040   .0022
P2   .07936  .74556 .80031       .01090  .0111  .0115  .0104 .00069 .00418  .00077
O5   .18806  .69414 .85668        .0166  .0125  .0203  .0167  .0026  .0047   .0020
O6   .04783  .77900 .63964        .0166  .0206  .0164  .0119  .0027  .0046   .0020
O7   .07267  .93135 .88071        .0164  .0210  .0126  .0200 -.0014  .0123  -.0023
O8   .02133  .58442 .83365        .0145  .0169  .0126  .0156 -.0016  .0076   .0005
O9   .02239  .75174 .08286  .997  .0134  .0150  .0113  .0144 -.0002  .0055       0
H9    .0020    .743  .1625  .997   .020
O10  .22535   .7224 .34460 1.022  .0291  .0399  .0275  .0247  .0111  .0173   .0063
H10a  .1738    .732  .2573 1.022   .044
H10b  .2562    .726   .276 1.022   .036
O11  .45119   .2146 .34572 1.009  .0328  .0395  .0216  .0236 -.0037 -.0069   .0003
H11a   .430    .299   .403 1.009   .049
H11b   .400    .207   .258 1.009   .090
O12  .63087  -.0041 .46625 1.035  .0313  .0243  .0288  .0442 -.0045  .0160  -.0129
H12a  .6839    .049   .537 1.035   .047
H12b   .651   -.106   .421 1.035   .067
O13  .39021   .5129 .50859 1.019  .0253  .0185  .0263  .0326  .0002  .0107   .0075
H13a  .4323    .467  .5950 1.019   .038
H13b   .416    .601   .459 1.019   .082
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