American Mineralogist Crystal Structure Database

2 matching records for this search.

Ba2[(UO2)2Ti2O8]
 
Wallwork K S, James M, Carter M L
Download cm/vol44/CM44_433.pdf
The Canadian Mineralogist 44 (2006) 433-442
The crystal chemistry, structure and properties
of a synthetic carnotite-type compound, Ba2[(UO2)2Ti2O8]
Locality: synthetic
_database_code_amcsd 0006083
6.4463 8.5999 10.2532 90 75.936 90 P2_1/c
atom     x     y     z Uiso
Ba   .4579 .7661 .3471 .017
U    .0235 .9805 .1775 .002
Ti   .1104 .1506 .4506 .001
O1   .0796 .2144 .2776 .013
O2   .2612 .5099 .2607 .013
O3   .3130 .9534 .1240 .013
O4   .9298 .4382 .1108 .013
O5   .0041 .8477 .9873 .013
O6   .6195 .6582 .0563 .013
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Magbasite
Download hom/magbasite.pdf
Welch M D, Mitchell R H, Kampf A R, Chakhmouradian, Smith D, Carter M
 
Mineralogical Magazine 78 (2014) 29-45
Crystal structure and topological affinities of magbasite,
KBaFe3+Mg7Si8O22(OH)2F6: a trellis structure related to amphibole and carpholite
Locality: Eldor carbonatite complex, Labrador Trough, Quebec, Canada
_database_code_amcsd 0020127
18.9506 22.5045 5.2780 90 90 90 Cmma
atom      x      y      z  occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
KA       .5    .25  .1671      .0218  .0253  .0194  .0209      0      0      0
BaB     .25      0      0      .0142  .0231 .00886 .01064      0      0      0
Fe1     .25 .17858      0 .026 .0082  .0097  .0075  .0075      0  .0003      0
Mg1     .25 .17858      0 .974 .0082  .0097  .0075  .0075      0  .0003      0
Mg2     .25 .10953     .5 .967 .0086  .0102  .0078  .0078      0  .0013      0
Fe2     .25 .10953     .5 .033 .0086  .0102  .0078  .0078      0  .0013      0
Mg3     .25    .25     .5 .997 .0074  .0090  .0066  .0065      0 -.0007      0
Fe3     .25    .25     .5 .003 .0074  .0090  .0066  .0065      0 -.0007      0
Mg4  .08910      0     .5 .694 .0099  .0113  .0099  .0084 -.0021      0      0
Fe4  .08910      0     .5 .306 .0099  .0113  .0099  .0084 -.0021      0      0
Al5       0      0      0 .100 .0078  .0099  .0068  .0067      0      0  .0000
Fe5       0      0      0 .900 .0078  .0099  .0068  .0067      0      0  .0000
Si1  .10920 .18227 .33473      .0069  .0081  .0059  .0067 -.0002  .0001 -.0001
Si2  .39170 .11413 .16654      .0072  .0083  .0064  .0068  .0007  .0000  .0002
O2   .07852    .25  .3314      .0110  .0112  .0059  .0159      0 -.0004      0
O3   .19395 .18251  .3343      .0084  .0090  .0081  .0082 -.0007 -.0000 -.0006
O4   .30704 .11463  .1727      .0091  .0094  .0088  .0090  .0009  .0005  .0004
O5   .42215 .15204  .4110      .0109  .0106  .0120  .0100 -.0001  .0005 -.0032
O6   .07865 .15062  .0815      .0101  .0102  .0113  .0088 -.0001 -.0001 -.0029
O7   .42252 .04791  .1718      .0101  .0121  .0077  .0104  .0026  .0007  .0007
O1        0 .04359  .3220      .0109  .0159  .0060  .0108      0      0 -.0012
H         0   .077   .313        .05
F1   .30215    .25  .1643      .0113  .0130  .0103  .0106      0  .0012      0
F2   .17678 .05164  .3728      .0161  .0191  .0141  .0153 -.0043  .0013 -.0026
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: 2
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