American Mineralogist Crystal Structure Database

3 matching records for this search.

Wadsleyite
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Kudoh Y, Inoue T, Arashi H
 
Physics and Chemistry of Minerals 23 (1996) 461-469
Structure and crystal chemistry of hydrous wadsleyite, Mg1.75SiH0.5O4:
possible hydrous magnesium silicate in the mantle transition zone
Locality: synthetic
_database_code_amcsd 0007971
5.663 11.546 8.247 90 90 90 Imma
atom     x     y     z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Mg1      0     0     0 .97  1.0   .023   .004   .011      0      0   .003
Mg2      0   1/4 .9694 .94   .6   .010   .008   .005      0      0      0
Mg3    1/4 .1206   1/4 .78 1.00   .013   .015   .011      0   .002      0
Si       0 .1208 .6155      .82   .010   .010   .012      0      0  -.002
OH1      0   1/4  .229       .5   .000   .009   .011      0      0      0
O2       0   1/4 .7187       .4   .009   .003   .004      0      0      0
O3       0 .9856 .2571      1.5   .026   .013   .018      0      0   .003
O4   .2607 .1242 .9949      .77   .008   .009   .012  -.014   .000   .002
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Wadsleyite
Download hom/wadsleyite.pdf
Kudoh Y, Inoue T
 
Physics and Chemistry of Minerals 26 (1999) 382-388
Mg-vacant structural modules and dilution of the symmetry
of hydrous wadsleyite, beta-Mg2-xSiH2xO4 with 0.00<=x<=0.25
Sample: 0.3H-beta
_database_code_amcsd 0008218
5.674 11.477 8.235 90 90.21 90 *I2/m
.25 .25 .25
atom       x     y     z  occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
MgM1       0     0     0  .98  .55  .0048  .0007  .0023 -.0001  .0003  .0002
MgM2  -.0008   1/4 .9689  .94  .37  .0051  .0004  .0009      0  .0000      0
MgM3a    1/4 .1244   1/4  .88  .46  .0042  .0008  .0017      0  .0000      0
MgM3b    3/4 .3755   1/4  .84  .56  .0028  .0015  .0018      0  .0002      0
Si    -.0004 .1203 .6160       .45  .0038  .0009  .0015 -.0003 -.0003  .0000
O1     .0002   1/4 .2226       .56  .0026  .0012  .0026      0 -.0005      0
O2     .0007   1/4 .7173       .47  .0004  .0019  .0013      0  .0005      0
O3     .0004 .9875 .2572      1.03  .0118  .0013  .0031 -.0002 -.0007  .0005
O4a    .2604 .1231 .9939       .65  .0042  .0011  .0029  .0000  .0002  .0003
O4b    .7393 .3767 .9935       .73  .0061  .0017  .0019 -.0001  .0001  .0001
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View JMOL 3-D Structure
 
Wadsleyite
Download hom/wadsleyite.pdf
Kudoh Y, Inoue T
 
Physics and Chemistry of Minerals 26 (1999) 382-388
Mg-vacant structural modules and dilution of the symmetry
of hydrous wadsleyite, beta-Mg2-xSiH2xO4 with 0.00<=x<=0.25
Sample: 0.5H-beta
_database_code_amcsd 0008219
5.675 11.579 8.244 90 90.09 90 *I2/m
.25 .25 .25
atom       x     y     z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
MgM1       0     0     0      .88  .0104  .0006  .0036  .0001  .0012  .0004
MgM2   .0008   1/4 .9683 .92  .56  .0071  .0008  .0013      0  .0001      0
MgM3a    1/4 .1209   1/4 .76  .83  .0079  .0016  .0023      0  .0000      0
MgM3b    3/4 .3794   1/4 .76  .71  .0064  .0013  .0023      0  .0005      0
Si     .0001 .1207 .6156      .84  .0061  .0016  .0033 -.0001  .0001 -.0004
O1    -.0007   1/4 .2265      .81  .0027  .0018  .0041      0 -.0019      0
O2     .0033   1/4 .7184      .66  .0061  .0014  .0018      0  .0002      0
O3     .0022 .9855 .2580     1.55  .0124  .0029  .0057  .0008  .0014  .0010
O4a    .2608 .1242 .9951      .86  .0059  .0017  .0034 -.0015  .0005 -.0002
O4b    .7399 .3761 .9942      .82  .0048  .0013  .0042 -.0014  .0008 -.0003
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Total number of retrieved datasets: 3
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