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Kukharenkoite-(Ce) |
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Krivovichev S V, Filatov S K, Zaitsev A N |
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The Canadian Mineralogist 36 (1998) 809-815 |
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The crystal structure of kukharenkoite-(Ce), Ba2REE(CO3)3F,and an interpretation |
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based on cation-coordinated F tetrahedra |
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_database_code_amcsd 0005546 |
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13.374 5.1011 6.653 90 106.56 90 P2_1/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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Ba1 .07490 .25 .2900 .0175 .0181 .0172 .0168 0 .0042 0 |
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Ba2 .41615 .25 .6888 .0170 .0206 .0142 .0152 0 .0034 0 |
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Ce .76096 .25 .9884 .0146 .0177 .0113 .0142 0 .0036 0 |
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F .9283 .25 .911 .027 .0320 .0240 .0230 0 .0040 0 |
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C1 .7259 .25 .509 .018 .0200 .0120 .0210 0 0 0 |
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C2 .4268 .25 .174 .019 .0240 .0120 .0220 0 .0090 0 |
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C3 .1273 .25 .794 .019 .0190 .0220 .0160 0 .0040 0 |
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O1 .1826 .25 .991 .025 .0370 .0200 .0130 0 .0010 0 |
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O2 .6996 .25 .310 .030 .0380 .0380 .0140 0 .0070 0 |
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O3 .4899 .25 .358 .024 .0320 .0210 .0170 0 .0030 0 |
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O4 .3993 .031 .077 .026 .0300 .0190 .0290 -.0030 .0090 -.0050 |
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O5 .2625 .965 .386 .026 .0320 .0140 .0270 0 0 .0030 |
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O6 .8969 .970 .300 .025 .0370 .0150 .0220 -.0050 .0040 -.0040 |
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| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
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Kukharenkoite-(Ce) |
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Mercier N, Leblanc M |
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European Journal of Solid State and Inorganic Chemistry 30 (1993) 195-205 |
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Crystal growth and structures of rare earth fluorocarbonates: I. |
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Structures of BaSm(CO3)2F and Ba3La2(CO3)5F2: revision of |
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the corresponding huanghoite and cebaite type structures |
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Locality: synthetic |
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_cod_database_code 1000320 |
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_database_code_amcsd 0012563 |
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13.365 5.097 6.638 90 106.45 90 P2_1/m |
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atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Ba1 .0751 .25 .2903 .0081 .0102 .0085 0 .0025 0 |
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Ba2 .4166 .25 .6904 .0101 .0084 .0078 0 .0022 0 |
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Ce1 .7613 .25 -.0119 .0074 .0064 .0073 0 .0023 0 |
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F1 .9277 .25 .9108 .0123 .0201 .0134 0 .0036 0 |
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C1 .7267 .25 .5124 .0094 .0101 .0115 0 .0019 0 |
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C2 .4278 .25 .1735 .0092 .0095 .0114 0 .0024 0 |
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C3 .1276 .25 .7960 .0092 .0132 .0100 0 .0048 0 |
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O1 .1836 .25 -.0086 .0132 .0152 .0112 0 .0022 0 |
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O2 .7010 .25 .3109 .0160 .0229 .0105 0 .0043 0 |
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O3 .4907 .25 .3569 .0152 .0164 .0100 0 .0008 .0 |
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O4 .3981 .0312 .0760 .0140 .0092 .0174 -.0039 .0042 -.0025 |
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O5 .2631 .9668 .3845 .0184 .009 .0154 -.0006 .0005 .0029 |
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O6 .8959 -.0294 .2976 .0184 .0101 .0144 -.0013 .0026 -.0020 |
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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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Kukharenkoite-(Ce) |
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Mercier N, Leblanc M |
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European Journal of Solid State and Inorganic Chemistry 30 (1993) 207-216 |
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Crystal growth and structures of rare earth fluorocarbonates: II. |
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Structures of zhonghuacerite Ba2Ce(CO3)3F. Correlations between |
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huanghoite, cebaite and zhonghuacerite type structures |
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_cod_database_code 1000477 |
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_database_code_amcsd 0012566 |
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13.365 5.097 6.638 90 106.45 90 P2_1/m |
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atom x y z |
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Ba1 .0751 .25 .2903 |
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Ba2 .4166 .25 .6906 |
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Ce2 .7613 .25 -.0119 |
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F1 .9277 .25 .9108 |
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C1 .7267 .25 .5124 |
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C2 .4278 .25 .1735 |
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C3 .1276 .25 .7960 |
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O1 .1836 .25 -.0086 |
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O2 .7010 .25 .3109 |
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O3 .4907 .25 .3569 |
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O4 .3981 .0312 .0760 |
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O5 .2631 .9668 .3845 |
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O6 .8959 -.0294 .2976 |
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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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