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