American Mineralogist Crystal Structure Database

3 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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View JMOL 3-D Structure (permalink)
 
Sekaninaite
Download hom/sekaninaite.pdf
Radica F, Capitelli F, Bellatreccia F, Della Ventura G, Cavallo A,
Piccinini M, Hawthorne F C
 
Mineralogical Magazine 77 (2013) 485-498
Spectroscopy and X-ray structure refinement of sekaninaite
from Dolni Bory (Czech Republic)
Locality: Dolni Bory, Czech Republic
_database_code_amcsd 0020088
17.2340 9.8457 9.3463 90 90 90 Cccm
atom      x       y      z  occ   Uiso
Na        0       0      0 .203   .035
MgM  .33688       0    .25 .035 .01448
FeM  .33688       0    .25 .873 .01448
LiM  .33688       0    .25  .09 .01448
AlT4    .25     .25 .25011      .01421
AlT5 .04972  .30757      0      .01298
SiT1      0      .5    .25       .0136
SiT2 .18999  .07921      0      .01273
SiT3 .13471  .76594      0      .01270
O1   .24402  .89508 .35809       .0166
O2   .06074  .58523 .34885       .0165
O3   .82705  .69477 .35782       .0167
O4   .04328   .7543      0       .0210
O5   .11931  .18336      0       .0209
O6   .16213 -.07670      0       .0204
O7    .0580       0    .25  .03   .069
Wat8      0       0    .25  .62   .101
C8        0       0    .25  .03   .101
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Wavellite
Download hom/wavellite.pdf
Capitelli F, Della Ventura G, Bellatreccia F, Sodo A,
Saviano M, Ghiara M R, Rossi M
 
Mineralogical Magazine 78 (2014) 1057-1070
Crystal-chemical study of wavellite from Zbirov, Czech Republic
Locality: Zbirov, Bohemia, Czech Republic
_database_code_amcsd 0020531
9.6422 17.4146 7.0094 90 90 90 Pcmn
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   .22502    .25 .11911     .00974  .0112  .0098  .0082       0  -.0008       0
Al2   .75616 .01635 .14187     .00775  .0082  .0094  .0057  .00003  .00032  .00030
P1    .06085 .09214 .10391     .00734  .0072  .0077  .0071 -.00039 -.00006 -.00049
O1    .90402 .08397 .06528      .0101  .0079  .0130  .0093  -.0011  -.0008   .0021
O2    .09039 .17630 .15711      .0160  .0162  .0109  .0209  -.0036   .0054  -.0054
O3    .10073 .04106 .27381      .0120  .0102  .0169  .0089   .0022  -.0005   .0033
O4    .35920 .07188 .42091      .0107  .0126  .0102  .0092  -.0018  -.0016   .0007
O5    .28790    .25  .3630 .47  .0252  .0256  .0394  .0106       0  -.0047       0
F5    .28790    .25  .3630 .53  .0252  .0256  .0394  .0106       0  -.0047       0
O6    .82065 .01802 .39536      .0109  .0084  .0174  .0068  -.0009   .0004   .0004
O7    .37150 .17066  .0839      .0268  .0210  .0260  .0333   .0054  -.0042  -.0057
O8    .65041 .11101 .19903      .0146  .0162  .0148  .0128   .0036   .0023   .0014
Wat9   .8092    .25   .232 .54   .052   .042   .036   .078       0    .006       0
Wat10  .7813    .25   .110 .56   .058   .067   .028   .078       0    .022       0
H5      .385    .25    .34 .47   .128
H6     .9158  .0287   .390       .046
H71     .383   .139   .193        .15
H72     .368   .153  -.043       .110
H81     .630  .1071  .3296       .048
H82     .705  .1550   .180       .107
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
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Total number of retrieved datasets: 3
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