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Ca9Cr(PO4)7 |
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Zatovsky I V, Strutynska N Y, Baumer V N, Shishkin O V, Slobodyanik N S |
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Acta Crystallographica E63 (2007) i180-i181 |
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The whitlockite-related phosphate Ca9Cr(PO4)7 |
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Locality: synthetic |
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_database_code_amcsd 0010478 |
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10.3272 10.3272 37.132 90 90 120 R3c |
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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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Ca1 .05547 .52061 .100572 .00617 .0074 .0061 .0053 .0036 -.0003 -.0012 |
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Ca2 .20187 .37769 .23313 .00654 .0062 .0071 .0060 .0032 .0011 .0020 |
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Ca3 .38876 .20333 .16032 .01017 .0151 .0082 .0091 .0072 -.0035 .0001 |
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Cr 0 0 .00199 .00405 .0040 .0040 .0042 .00199 0 0 |
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P1 0 0 .27062 .0106 .0060 .0060 .0199 .0030 0 0 |
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P2 .17511 .31774 .13731 .0042 .0037 .0030 .0058 .0016 .0007 -.0006 |
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P3 .18862 .34253 .03226 .0052 .0060 .0049 .0046 .0026 .0020 .0008 |
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O1 0 0 .31204 .0148 .0126 .0126 .019 .0063 0 0 |
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O2 .1360 .1467 .25799 .0111 .0055 .0057 .0184 .0002 -.0037 .0035 |
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O3 .1821 .2731 .17561 .0121 .0149 .0126 .0095 .0075 .0002 .0003 |
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O4 .0164 .2525 .12245 .0103 .0080 .0141 .0080 .0050 .0004 .0001 |
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O5 .2744 .2782 .11421 .0076 .0073 .0053 .0098 .0028 -.0017 -.0026 |
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O6 .2502 .4937 .13402 .0083 .0081 .0075 .0107 .0050 .0007 .0001 |
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O7 .3479 .3948 .04562 .0097 .0031 .0131 .0111 .0026 -.0008 .0012 |
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O8 .1122 .4133 .05284 .0101 .0142 .0103 .0099 .0091 .0025 -.0023 |
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O9 .0940 .1692 .03804 .0076 .0058 .0030 .0129 .0014 -.0001 .0010 |
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O10 .1937 .3779 -.00752 .0097 .0128 .0097 .0031 .0031 -.0016 .0005 |
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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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K2FeSn(PO4)3 |
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Zatovsky I V, Yatskin M M, Baumer V N, Slobodyanik N S, Shishkin O V |
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Acta Crystallographica E63 (2007) i199-i199 |
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Langbeinite-related K2FeSn(PO4)3 from single-crystal data |
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Locality: synthetic |
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_database_code_amcsd 0010480 |
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9.91473 9.91473 9.91473 90 90 90 P2_13 |
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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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K1 .70742 .70742 .70742 .0278 .0278 .0278 .0278 -.0001 -.0001 -.0001 |
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K2 .93262 .93262 .93262 .0220 .0220 .0220 .0220 -.0026 -.0026 -.0026 |
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Fe1 .14686 .14686 .14686 .4464 .00732 .00732 .00732 .00732 -.00009 -.00009 -.00009 |
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Sn1 .14686 .14686 .14686 .5536 .00732 .00737 .00737 .00737 -.00050 -.00050 -.00050 |
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Fe2 .41421 .41421 .41421 .5538 .00737 .00732 .00732 .00732 -.00009 -.00009 -.00009 |
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Sn2 .41421 .41421 .41421 .4462 .00737 .00737 .00737 .00737 -.00050 -.00050 -.00050 |
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P .46113 .22920 .12592 .00634 .0061 .0066 .0063 -.00007 .00116 -.00006 |
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O1 .31483 .2389 .0776 .0154 .0068 .0201 .0194 -.0031 -.0024 .0086 |
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O2 .5516 .2973 .0223 .0180 .0155 .0211 .0174 -.0008 .0091 .0087 |
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O3 .5006 .08280 .1516 .0172 .0220 .0078 .0219 .0063 .0031 .0032 |
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O4 .4825 .3057 .2572 .0203 .0240 .0235 .0135 -.0030 .0022 -.0117 |
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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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