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Rimkorolgite |
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Krivovichev S V, Britvin S N, Burns P C, Yakovenchuk V N |
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European Journal of Mineralogy 14 (2002) 397-402 |
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Crystal structure of rimkorolgite, Ba[Mg5(H2O)7(PO4)4](H2O), and its comparison |
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with bakhchisaraitsevite |
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_database_code_amcsd 0006928 |
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8.3354 12.8304 18.313 90 90.025 90 P2_1/c |
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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 .23818 .08279 .00270 .0168 .0132 .0169 .0202 .0009 -.0014 .0003 |
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Mg1 -.2804 .1866 -.0681 .0060 .0060 .0051 .0067 -.0011 .0012 .0012 |
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Mg2 .1951 -.0758 -.2292 .0144 .0079 .0085 .0177 .0010 .0001 .0001 |
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Mg3 -.1979 -.0817 -.2458 .0113 .0093 .0094 .0151 -.0010 .0016 -.0024 |
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Mg4 -.2956 -.3127 -.2691 .0103 .0093 .0066 .0152 -.0004 -.0014 -.0005 |
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Mg5 .3129 -.3053 -.2457 .0093 .0088 .0077 .0115 -.0010 .0022 -.0009 |
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P1 -.0213 .0941 -.1470 .0106 .0089 .0095 .0135 -.0003 -.0001 -.0006 |
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P2 -.0108 -.2556 -.1499 .0097 .0079 .0107 .0104 -.0012 -.0003 -.0003 |
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P3 .4900 -.0228 .14849 .0097 .0092 .0084 .0115 .0002 .0003 .0022 |
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P4 .5125 .1408 .3473 .0105 .0078 .0111 .0126 -.0017 .0002 -.0005 |
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Wat1 .3684 .2150 .5338 .0286 .0340 .0200 .0310 -.0010 .0040 .0020 |
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Wat2 .2530 -.4456 -.1904 .0126 .0140 .0080 .0160 -.0010 -.0010 -.0030 |
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O3 -.0536 .0670 -.0679 .0169 .0180 .0160 .0170 -.0040 .0000 -.0010 |
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O4 -.0143 -.0033 -.1963 .0106 .0090 .0090 .0140 .0010 -.0030 -.0060 |
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Wat5 -.2462 -.4472 -.2051 .0122 .0120 .0080 .0170 .0010 .0000 .0000 |
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O6 .4484 -.0632 .0711 .0100 .0160 .0060 .0070 .0000 -.0010 .0020 |
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O7 .1485 -.2219 -.1860 .0106 .0070 .0080 .0170 -.0030 .0050 -.0010 |
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O8 -.0296 -.2006 -.0767 .0135 .0140 .0150 .0120 .0040 .0040 -.0040 |
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O9 .6452 .1593 .2898 .0110 .0080 .0090 .0150 -.0010 .0060 .0030 |
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O10 .1334 .1549 -.1520 .0178 .0180 .0150 .0210 -.0090 .0050 -.0020 |
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O11 -.1480 -.2277 -.2016 .0131 .0130 .0130 .0130 .0020 -.0030 .0020 |
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Wat12 .5126 -.2630 -.1749 .0153 .0120 .0160 .0180 .0010 .0020 -.0040 |
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O13 -.1660 .1625 -.1694 .0142 .0110 .0170 .0150 .0060 -.0030 .0000 |
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O14 .3645 .0592 .1697 .0136 .0120 .0060 .0230 .0030 .0060 .0000 |
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O15 .3499 .1695 .3126 .0106 .0070 .0100 .0150 .0050 -.0030 .0010 |
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O16 .4958 -.1157 .2022 .0110 .0080 .0110 .0140 .0010 -.0030 .0040 |
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O17 .5112 .0241 .3700 .0131 .0140 .0050 .0200 -.0040 .0020 .0030 |
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Wat18 -.0050 .3753 -.1811 .0176 .0170 .0150 .0220 -.0010 .0040 .0000 |
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Wat19 -.2704 .1543 .0388 .0279 .0200 .0390 .0250 -.0190 -.0140 -.0050 |
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O20 .6568 .0290 .1467 .0132 .0090 .0120 .0180 -.0030 -.0010 .0010 |
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O21 -.0072 -.3758 -.1375 .0134 .0110 .0110 .0190 -.0020 .0040 .0040 |
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Wat22 .7063 .0064 .4930 .0700 .0910 .0440 .0740 -.0120 -.0390 .0300 |
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O23 .5485 .2083 .4149 .0150 .0180 .0070 .0200 -.0030 .0020 -.0050 |
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Wat24 -.1151 .3130 -.0376 .0242 .0280 .0210 .0240 -.0010 -.0030 -.0030 |
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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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