American Mineralogist Crystal Structure Database

6 matching records for this search.

Wesselsite
 
Chakoumakos B C, Fernandez-Baca J A, Boatner L A
 
Journal of Solid State Chemistry 103 (1993) 105-113
Refinement of the structures of the layer silicates MCuSi4O10 (M=Ca,Sr,Ba)
by Rietveld analysis of neutron powder diffraction data
Note: gillespite structure
Locality: synthetic
_database_code_amcsd 0013766
7.3707 7.3707 15.5904 90 90 90 *P4/ncc
.25 -.25 0
atom     x     y     z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Sr     .25   .75     0 .009   .007   .007   .011      0      0      0
Cu     .25   .25 .0883 .006  .0045  .0045   .010      0      0      0
Si   .5088 .9308 .1511 .006   .003   .004   .012   .000   .003   .000
O1   .4664 .9664   .25 .020   .027   .027   .006  -.004   .011  -.011
O2   .7137 .0008 .1311 .011  .0025   .013   .017 -.0029  .0011  .0054
O3   .3667 .0169 .0865 .012  .0078  .0043   .025  .0023  -.008  -.003
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Effenbergerite
 
Chakoumakos B C, Fernandez-Baca J A, Boatner L A
 
Journal of Solid State Chemistry 103 (1993) 105-113
Refinement of the structures of the layer silicates MCuSi4O10 (M=Ca,Sr,Ba)
by Rietveld analysis of neutron powder diffraction data
Note: gillespite structure
Locality: synthetic
_database_code_amcsd 0013767
7.4409 7.4409 16.1367 90 90 90 *P4/ncc
.25 -.25 0
atom     x     y     z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ba     .25   .75     0 .008   .010   .010   .005      0      0      0
Cu     .25   .25 .0946 .007   .005   .005   .010      0      0      0
Si   .5186 .9389 .1549 .007   .006   .008   .008   .000   .002   .001
O1   .4742 .9742   .25 .027   .036   .036   .010  -.007   .013  -.013
O2   .7242 .9988 .1367 .012   .000   .018   .018 -.0022 -.0007   .008
O3   .3872 .0316 .0902 .014   .012   .005   .026  .0059  -.012  -.003
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Cuprorivaite
Download hom/cuprorivaite.pdf
Chakoumakos B C, Fernandez-Baca J A, Boatner L A
 
Journal of Solid State Chemistry 103 (1993) 105-113
Refinement of the structures of the layer silicates MCuSi4O10 (M=Ca,Sr,Ba)
by Rietveld analysis of neutron powder diffraction data
Note: gillespite structure
Locality: synthetic
_database_code_amcsd 0013768
7.3017 7.3017 15.1303 90 90 90 *P4/ncc
.25 -.25 0
atom     x     y     z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca     .25   .75     0 .009   .003   .003   .023      0      0      0
Cu     .25   .25 .0819 .005  .0055  .0055   .006      0      0      0
Si   .5036 .9267 .1475 .005   .004   .005   .006 -.0002  -.001  .0002
O1   .4608 .9608   .25 .019   .028   .028   .001  -.004  .0044 -.0044
O2   .7076 .0025 .1268 .010  .0002  .0127   .017 -.0019  .0016  .0043
O3   .3533 .0068 .0821 .009  .0059  .0058   .015  .0031 -.0040   .000
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Wakefieldite-(Ce)
Download hom/wakefielditece.pdf
Chakoumakos B C, Abraham M M, Boatner L A
 
Journal of Solid State Chemistry 109 (1994) 197-202
Crystal structure refinements of zircon-type
MVO4 (M = Sc, Y, Ce, Pr, Nd, Tb, Ho, Er, Tm, Yb, Lu)
Locality: synthetic
_database_code_amcsd 0013801
7.4004 7.4004 6.4972 90 90 90 *I4_1/amd
0 -.25 .125
atom x     y     z  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ce   0   .75  .125 .0041  .0078  .0078 -.0031      0      0      0
V    0   .25  .375 .0050
O    0 .4279 .2067 .0097  .0194  .0079  .0015      0      0  .0007
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Wakefieldite-(Y)
Download hom/wakefielditey.pdf
Chakoumakos B C, Abraham M M, Boatner L A
 
Journal of Solid State Chemistry 109 (1994) 197-202
Crystal structure refinements of zircon-type
MVO4 (M = Sc, Y, Ce, Pr, Nd, Tb, Ho, Er, Tm, Yb, Lu)
Locality: synthetic
_database_code_amcsd 0013802
7.1183 7.1183 6.2893 90 90 90 *I4_1/amd
0 -.25 .125
atom x     y     z  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Y    0   .75  .125 .0040  .0041  .0041  .0037      0      0      0
V    0   .25  .375  .005
O    0 .4342 .2008 .0073  .0131  .0041  .0047      0      0  .0014
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View JMOL 3-D Structure (permalink)
 
Wakefieldite-(Nd)
 
Chakoumakos B C, Abraham M M, Boatner L A
 
Journal of Solid State Chemistry 109 (1994) 197-202
Crystal structure refinements of zircon-type
MVO4 (M = Sc, Y, Ce, Pr, Nd, Tb, Ho, Er, Tm, Yb, Lu)
Locality: synthetic
_database_code_amcsd 0013801
7.3308 7.3308 6.4356 90 90 90 *I4_1/amd
0 -.25 .125
atom x     y     z  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ce   0   .75  .125 .0025  .0037  .0037 -.0001      0      0      0
V    0   .25  .375 .0050
O    0 .4295 .2050 .0091  .0156  .0059  .0056      0      0  .0006
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
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Total number of retrieved datasets: 6
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