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Maoniupingite-(Ce) |
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Yang Z, Fleck M, Smith M, Tao K, Song R, Zhang P |
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European Journal of Mineralogy 14 (2002) 969-975 |
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The crystal structure of natural Fe-rich chevkinite-(Ce) |
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_database_code_amcsd 0006951 |
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13.456 5.728 11.083 90 100.60 90 C2/m |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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CeA1 .35619 0 .23436 .934 .0176 .0155 .0220 .0151 0 .0024 0 |
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CaA1 .35619 0 .23436 .02 .0176 .0155 .0220 .0151 0 .0024 0 |
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CeA2 .06965 0 .23967 .909 .0212 .0118 .0394 .0126 0 .0030 0 |
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CaA2 .06965 0 .23967 .05 .0212 .0118 .0394 .0126 0 .0030 0 |
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FeB .5 0 0 .55 .0188 .0235 .0206 .0120 0 .0021 0 |
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MgB .5 0 0 .24 .0188 .0235 .0206 .0120 0 .0021 0 |
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TiB .5 0 0 .18 .0188 .0235 .0206 .0120 0 .0021 0 |
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FeC1 .25 .25 .5 .39 .0133 .0139 .0160 .0096 .0005 .0016 .0001 |
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TiC1 .25 .25 .5 .55 .0133 .0139 .0160 .0096 .0005 .0016 .0001 |
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NbC1 .25 .25 .5 .03 .0133 .0139 .0160 .0096 .0005 .0016 .0001 |
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FeC2A .5 0 .5 .27 .0145 .0150 .0158 .0123 0 .0009 0 |
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TiC2A .5 0 .5 .66 .0145 .0150 .0158 .0123 0 .0009 0 |
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NbC2A .5 0 .5 .04 .0145 .0150 .0158 .0123 0 .0009 0 |
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FeC2B 0 0 .5 .14 .0154 .0149 .0193 .0126 0 .0042 0 |
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TiC2B 0 0 .5 .80 .0154 .0149 .0193 .0126 0 .0042 0 |
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NbC2B 0 0 .5 .04 .0154 .0149 .0193 .0126 0 .0042 0 |
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Si1 .2009 -.5 .2314 .0110 .0116 .0121 .0095 0 .0023 0 |
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Si2 .3576 -.5 .0466 .0125 .0132 .0166 .0080 0 .0026 0 |
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O1 .2281 .2650 .3145 .0169 .025 .014 .011 .002 .002 .001 |
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O2 .4779 .2542 .3737 .0165 .015 .021 .015 -.003 .004 -.002 |
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O3 .4261 .2723 .0935 .0258 .032 .026 .019 .012 .001 .002 |
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O4 .1462 0 .4776 .0140 .012 .017 .014 0 .006 0 |
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OH5 .3476 0 .4896 .32 .0147 .011 .015 .017 0 .000 0 |
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O5 .3476 0 .4896 .68 .0147 .011 .015 .017 0 .000 0 |
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OH6 .0849 -.5 .1718 .32 .033 .013 .066 .020 0 -.002 0 |
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O6 .0849 -.5 .1718 .68 .033 .013 .066 .020 0 -.002 0 |
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O7 .2706 -.5 .1287 .039 .031 .068 .024 0 .019 0 |
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O8 .1868 0 .0965 .0177 .019 .022 .012 0 .002 0 |
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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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|
Maoniupingite-(Ce) |
| |
Yang Z, Fleck M, Smith M, Tao K, Song R, Zhang P |
| |
European Journal of Mineralogy 14 (2002) 969-975 |
|
The crystal structure of natural Fe-rich chevkinite-(Ce) |
|
_database_code_amcsd 0006951 |
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13.456 5.728 11.083 90 100.60 90 C2/m |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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CeA1 .35619 0 .23436 .934 .0176 .0155 .0220 .0151 0 .0024 0 |
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CaA1 .35619 0 .23436 .02 .0176 .0155 .0220 .0151 0 .0024 0 |
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CeA2 .06965 0 .23967 .909 .0212 .0118 .0394 .0126 0 .0030 0 |
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CaA2 .06965 0 .23967 .05 .0212 .0118 .0394 .0126 0 .0030 0 |
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FeB .5 0 0 .55 .0188 .0235 .0206 .0120 0 .0021 0 |
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MgB .5 0 0 .24 .0188 .0235 .0206 .0120 0 .0021 0 |
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TiB .5 0 0 .18 .0188 .0235 .0206 .0120 0 .0021 0 |
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FeC1 .25 .25 .5 .39 .0133 .0139 .0160 .0096 .0005 .0016 .0001 |
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TiC1 .25 .25 .5 .55 .0133 .0139 .0160 .0096 .0005 .0016 .0001 |
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NbC1 .25 .25 .5 .03 .0133 .0139 .0160 .0096 .0005 .0016 .0001 |
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FeC2A .5 0 .5 .27 .0145 .0150 .0158 .0123 0 .0009 0 |
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TiC2A .5 0 .5 .66 .0145 .0150 .0158 .0123 0 .0009 0 |
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NbC2A .5 0 .5 .04 .0145 .0150 .0158 .0123 0 .0009 0 |
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FeC2B 0 0 .5 .14 .0154 .0149 .0193 .0126 0 .0042 0 |
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TiC2B 0 0 .5 .80 .0154 .0149 .0193 .0126 0 .0042 0 |
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NbC2B 0 0 .5 .04 .0154 .0149 .0193 .0126 0 .0042 0 |
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Si1 .2009 -.5 .2314 .0110 .0116 .0121 .0095 0 .0023 0 |
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Si2 .3576 -.5 .0466 .0125 .0132 .0166 .0080 0 .0026 0 |
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O1 .2281 .2650 .3145 .0169 .025 .014 .011 .002 .002 .001 |
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O2 .4779 .2542 .3737 .0165 .015 .021 .015 -.003 .004 -.002 |
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O3 .4261 .2723 .0935 .0258 .032 .026 .019 .012 .001 .002 |
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O4 .1462 0 .4776 .0140 .012 .017 .014 0 .006 0 |
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OH5 .3476 0 .4896 .32 .0147 .011 .015 .017 0 .000 0 |
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O5 .3476 0 .4896 .68 .0147 .011 .015 .017 0 .000 0 |
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OH6 .0849 -.5 .1718 .32 .033 .013 .066 .020 0 -.002 0 |
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O6 .0849 -.5 .1718 .68 .033 .013 .066 .020 0 -.002 0 |
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O7 .2706 -.5 .1287 .039 .031 .068 .024 0 .019 0 |
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O8 .1868 0 .0965 .0177 .019 .022 .012 0 .002 0 |
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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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Gugiaite |
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Yang Z, Fleck M, Pertlik F, Tillmanns E, Tao K |
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Neues Jahrbuch fur Mineralogie, Monatshefte 2001 (2001) 186-192 |
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The crystal structure of natural gugiaite, Ca2BeSi2O7 |
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Locality: skarn rocks in the Gugia alkaline complex, Liaoning Province, China |
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Note, z coordinate of Ca is altered to reproduce reported Ca-O bond lengths |
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_database_code_amcsd 0014911 |
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7.4330 7.4330 4.9970 90 90 90 P-42_1m |
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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 .16376 .66376 -.48894 .0177 .0186 .0186 .0161 -.0039 -.0007 -.0007 |
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Be 0 0 0 .0038 .0047 .0047 .0020 0 0 0 |
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Si .35325 .85325 -.0396 .0138 .0134 .0134 .0145 -.0004 -.0003 -.0003 |
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O1 .5 0 .8359 .0172 .0172 .0172 .0170 -.0018 0 0 |
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O2 .3594 .8594 .2786 .0162 .0164 .0164 .0158 -.0006 -.0001 -.0001 |
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O3 .3332 .4144 .1816 .0174 .0135 .0222 .0164 -.0026 -.0004 .0026 |
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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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