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Chevkinite-(Ce) |
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Sokolova E V, Hawthorne F C, Della Ventura G, Kartashov P M |
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The Canadian Mineralogist 42 (2004) 1013-1025 |
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Chevkinite-(Ce): Crystal structure and the effect of moderate radiation-induced |
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damage on site-occupancy refinement |
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Locality: Mongolia |
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Crystal (1) |
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_database_code_amcsd 0005956 |
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13.4319 5.7628 11.0914 90 100.629 90 C2/m |
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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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CeA1 .35601 0 .73503 .0181 .0180 .0181 .0182 0 .0036 0 |
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CeA2 .06863 0 .74067 .0219 .0146 .0366 .0150 0 .0037 0 |
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Fe2+M1 .5 0 .5 .0217 .0328 .0188 .0137 0 .0049 0 |
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Fe3+M2 .25 .25 0 .0151 .0175 .0145 .0130 -.0002 .0022 .0005 |
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TiM3 0 0 0 .0139 .0142 .0155 .0126 0 .0045 0 |
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TiM4 .5 0 0 .0175 .0184 .0166 .0171 0 .0023 0 |
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Si1 .2008 .5 .7312 .0293 .0318 .0272 .0294 0 .0067 0 |
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Si2 .3567 .5 .5465 .0320 .0344 .0319 .0300 0 .0069 0 |
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O1 .4775 .2539 .8734 .0149 .015 .016 .014 -.003 .004 -.004 |
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O2 .1460 0 .9767 .0121 .013 .012 .013 0 .006 0 |
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O3 .1843 0 .5969 .0154 .021 .015 .010 0 .003 0 |
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O4 .3479 0 .9895 .0122 .012 .010 .015 0 .003 0 |
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O5 .4245 .2739 .5973 .0235 .030 .019 .019 .002 -.003 .011 |
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O6 .2285 -.7349 .8139 .0151 .027 .010 .009 .002 .002 .003 |
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O7 .0818 .5 .6726 .033 .010 .060 .027 0 -.001 0 |
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O8 .2648 .5 .6237 .040 .033 .068 .024 0 .023 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 (permalink) |
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Chevkinite-(Ce) |
|
Sokolova E V, Hawthorne F C, Della Ventura G, Kartashov P M |
|
The Canadian Mineralogist 42 (2004) 1013-1025 |
|
Chevkinite-(Ce): Crystal structure and the effect of moderate radiation-induced |
|
damage on site-occupancy refinement |
|
Locality: Mongolia |
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Reported formula: (Ce1.85 La1.11 Nd.53 Pr.15 Sm.04 Gd.03 Ca.32 Th.02) |
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(Fe2+.85 Mn2+.04 Zr.03 Y.03 Ca.05) (Ti2.54 Fe3+1.19 Nb.15) Si4.06 O22 |
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Crystal (2) |
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_database_code_amcsd 0005957 |
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13.534 5.789 11.159 90 100.57 90 C2/m |
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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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CeA1 .35496 0 .73642 .0283 .0304 .0248 .0308 0 .0086 0 |
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CeA2 .06918 0 .74232 .0316 .0242 .0462 .0254 0 .0073 0 |
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Fe2+M1 .5 0 .5 .0347 .053 .0286 .0234 0 .0095 0 |
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Fe3+M2 .25 .25 0 .0231 .0284 .0204 .0206 .0003 .0045 .0005 |
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TiM3 0 0 0 .0209 .024 .019 .0222 0 .0085 0 |
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TiM4 .5 0 0 .0266 .0301 .0215 .0277 0 .0041 0 |
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Si1 .2020 .5 .7317 .0370 .041 .0303 .040 0 .0088 0 |
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Si2 .3576 .5 .5470 .0416 .046 .041 .038 0 .0093 0 |
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O1 .4776 .2532 .8744 .0223 .023 .026 .020 -.005 .0078 -.006 |
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O2 .1468 0 .9786 .020 .021 .017 .023 0 .006 0 |
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O3 .1827 0 .5957 .025 .036 .019 .019 0 .008 0 |
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O4 .3486 0 .9886 .021 .024 .019 .019 0 .005 0 |
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O5 .4247 .273 .5985 .037 .040 .037 .031 .003 -.005 .0172 |
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O6 .2286 -.7354 .8138 .0193 .036 .010 .012 .000 .004 .003 |
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O7 .0831 .5 .6737 .052 .016 .083 .053 0 -.004 0 |
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O8 .2654 .5 .6254 .053 .044 .083 .039 0 .030 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 (permalink) |
| |
|
Chevkinite-(Ce) |
|
Sokolova E V, Hawthorne F C, Della Ventura G, Kartashov P M |
|
The Canadian Mineralogist 42 (2004) 1013-1025 |
|
Chevkinite-(Ce): Crystal structure and the effect of moderate radiation-induced |
|
damage on site-occupancy refinement |
|
Locality: Mongolia |
|
Reported formula: (Ce1.85 La1.11 Nd.53 Pr.15 Sm.04 Gd.03 Ca.32 Th.02) |
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(Fe2+.85 Mn2+.04 Zr.03 Y.03 Ca.05) (Ti2.54 Fe3+1.19 Nb.15) Si4.06 O22 |
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Crystal (2an) |
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_database_code_amcsd 0005958 |
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13.400 5.7232 11.0573 90 100.537 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 .35648 0 .73698 .0146 .0162 .0150 .0129 0 .0031 0 |
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CeA2 .07064 0 .74336 .0177 .0128 .0263 .0129 0 -.0005 0 |
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Fe2+M1 .5 0 .5 .85 .0119 .0141 .0151 .0049 0 -.0022 0 |
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CaM1 .5 0 .5 .05 .0119 .0141 .0151 .0049 0 -.0022 0 |
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MnM1 .5 0 .5 .04 .0119 .0141 .0151 .0049 0 -.0022 0 |
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YM1 .5 0 .5 .03 .0119 .0141 .0151 .0049 0 -.0022 0 |
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ZrM1 .5 0 .5 .03 .0119 .0141 .0151 .0049 0 -.0022 0 |
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Fe3+M2 .25 .25 0 .595 .0100 .0129 .0110 .0055 -.0003 .0004 .0001 |
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TiM2 .25 .25 0 .285 .0100 .0129 .0110 .0055 -.0003 .0004 .0001 |
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NbM2 .25 .25 0 .08 .0100 .0129 .0110 .0055 -.0003 .0004 .0001 |
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TiM3 0 0 0 .0163 .014 .02479 .010 0 .0023 0 |
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TiM4 .5 0 0 .0156 .012 .022 .011 0 -.0012 0 |
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Si1 .2020 .5 .7312 .0265 .030 .0248 .0240 0 .0031 0 |
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Si2 .3596 .5 .5442 .0302 .032 .032 .0252 0 .0027 0 |
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O1 .4781 .2522 .8732 .0109 .007 .017 .009 -.003 .000 -.003 |
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O2 .1467 0 .9786 .009 .009 .008 .009 0 .000 0 |
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O3 .1872 0 .5963 .012 .021 .013 .000 0 .001 0 |
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O4 .3478 0 .9886 .0048 .003 .007 .004 0 -.002 0 |
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O5 .4279 .269 .5905 .021 .019 .030 .012 .008 .000 .010 |
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O6 .2277 -.7360 .8142 .0098 .021 .006 .003 .001 .002 .001 |
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O7 .0851 .5 .6660 .028 .006 .048 .024 0 -.010 0 |
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O8 .2734 .5 .6308 .034 .027 .054 .028 0 .025 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 (permalink) |
| |
|
Chevkinite-(Ce) |
|
Sokolova E V, Hawthorne F C, Della Ventura G, Kartashov P M |
|
The Canadian Mineralogist 42 (2004) 1013-1025 |
|
Chevkinite-(Ce): Crystal structure and the effect of moderate radiation-induced |
|
damage on site-occupancy refinement |
|
Locality: Mongolia |
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Reported formula: (Ce1.88 La1.01 Nd.61 Pr.19 Sm.06 Gd.03 Ca.27 Y.03 Th.02) |
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(Fe2+.93 Mn.06 Zr.01) (Ti2.55 Fe3+1.29 Nb.16) Si3.91 O22 |
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Crystal (3an) |
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_database_code_amcsd 0005959 |
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13.368 5.7243 11.041 90 100.516 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 .35694 0 .73625 .0183 .0216 .0207 .0125 0 .0029 0 |
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CeA2 .07052 0 .74265 .0211 .0178 .0334 .0114 0 .0012 0 |
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Fe2+M1 .5 0 .5 .93 .0173 .0208 .0226 .0079 0 .0013 0 |
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Mn2+M1 .5 0 .5 .06 .0173 .0208 .0226 .0079 0 .0013 0 |
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ZrM1 .5 0 .5 .01 .0173 .0208 .0226 .0079 0 .0013 0 |
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Fe3+M2 .25 .25 0 .645 .0127 .0176 .0144 .0057 .0006 .0007 .0001 |
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TiM2 .25 .25 0 .275 .0127 .0176 .0144 .0057 .0006 .0007 .0001 |
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NbM2 .25 .25 0 .08 .0127 .0176 .0144 .0057 .0006 .0007 .0001 |
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TiM3 0 0 0 .0152 .0143 .026 .0050 0 .0011 0 |
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TiM4 .5 0 0 .0194 .0186 .029 .0094 0 -.0003 0 |
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Si1 .2014 .5 .7310 .0296 .0333 .0318 .0233 0 .0038 0 |
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Si2 .3588 .5 .5447 .0332 .0368 .0385 .0227 0 .0013 0 |
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O1 .4780 .2517 .8734 .0148 .0141 .020 .010 -.002 .004 -.001 |
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O2 .1461 0 .9780 .0115 .012 .013 .008 0 .002 0 |
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O3 .1872 0 .5969 .0168 .023 .020 .008 0 .003 0 |
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O4 .3479 0 .9886 .0126 .017 .010 .011 0 .008 0 |
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O5 .4264 .2708 .5915 .0272 .027 .038 .014 .007 -.002 .013 |
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O6 .2273 -.7351 .8137 .0132 .026 .014 .000 .002 .001 .003 |
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O7 .0833 .5 .6683 .030 .016 .054 .016 0 -.007 0 |
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O8 .2719 .5 .6291 .041 .031 .077 .021 0 .021 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 (permalink) |
| |
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