American Mineralogist Crystal Structure Database

1 matching records for this search.

Imayoshiite
 
Nishio-Hamane D, Ohnishi M, Momma K, Shimobayashi N, Miyawaki R, Minakawa T, Inaba S
 
Mineralogical Magazine 79 (2015) 413-423
Imayoshiite, Ca3Al(CO3)[B(OH)4](OH)6*12H2O, a new mineral of the ettringite
group from Ise City, Mie Prefecture, Japan
Locality: Ise City, Mie Prefecture, Japan
_database_code_amcsd 0021028
11.0459 11.0459 10.61502 90 90 120 P6_3
atom      x      y      z  occ   Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca   .00004 .19606 .24990      .01439 .01831 .01440 .01175 .00914 .00052 .00018
Al1       0      0      0  .89 .01122 .01276 .01276  .0081 .00638      0      0
Si        0      0      0  .11 .01122 .01276 .01276  .0081 .00638      0      0
C       1/3    2/3  .4999       .0167  .0191  .0191  .0119  .0096      0      0
B       1/3    2/3  .0005  .94  .0169  .0139  .0139  .0228  .0070      0      0
S       1/3    2/3  .0005  .06  .0169  .0139  .0139  .0228  .0070      0      0
O1   .13511 .13406  .3900       .0141  .0153  .0149  .0102  .0061 -.0001  .0002
O2   .13386 .13484  .1097       .0140  .0142  .0144  .0114  .0055 -.0009 -.0008
O3   .25892 .41084  .2578       .0301  .0356  .0252  .0286  .0145  .0033  .0011
O4   .00136  .3443  .4192       .0351  .0223  .0352  .0487  .0151 -.0035 -.0226
O5   .41082 .25879  .2418       .0301  .0256  .0359  .0280  .0149 -.0013  .0032
O6    .3435 .00100  .0797       .0339  .0340  .0225  .0463  .0150  .0201  .0030
O71  .26642 .53276  .4995 .965  .0273  .0246  .0178  .0368  .0085 -.0041  .0000
O72    .206   .611   .484 .035   .027  .0174  .0231  .0291  .0092  .0042  .0010
O8    .1898  .6190  .0469 .515  .0236  .0217  .0178  .0325  .0090 -.0020 -.0038
O9    .6189  .1900  .4533 .485  .0244  .0342  .0342   .021  .0171      0      0
O10     1/3    2/3  .8643 .515  .0298  .0344  .0344   .023  .0172      0      0
O11     1/3    2/3  .1350 .485  .0306
H1    .2049   .197  .4312        .053
H2    .1928  .1974  .0759        .053
H31   .2796  .4564   .335        .053
H32   .3063  .3649    .25   .5   .053
H41   .0804  .4146  .4459        .053
H42  -.0721  .3513  .4434        .053
H51    .455  .2793  .1745        .053
H52   .3648  .3108    .25   .5   .053
H61   .3513 -.0721  .0613        .053
H62   .4144  .0721  .0566        .053
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