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Airdite |
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Kang H Y, Lee W C, Wang S L |
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Inorganic Chemistry 31 (1992) 4743-4748 |
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Hydrothermal synthesis and structural characterization of four layered |
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vanadyl(IV) phosphate hydrates A(VO)2(PO4)2*4H2O (A=Co,Ca,Sr,Pb) |
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Locality: synthetic |
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_database_code_amcsd 0012706 |
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9.026 9.010 12.841 90 100.19 90 Cc |
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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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Sr .73479 .1909 .27927 .0136 .0140 .0158 .0106 -.0003 .0012 .0034 |
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V1 .8576 .1068 .9834 .0074 .0061 .0081 .0082 -.0002 .0016 -.0001 |
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V2 .8826 .6111 .0722 .0072 .0063 .0062 .0093 .0000 .0017 .0012 |
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P1 .6214 .3563 .0259 .0074 .0076 .0072 .0079 -.0002 .0030 -.0006 |
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P2 .6216 .8566 .0278 .0067 .0063 .0076 .0064 .0003 .0017 .0011 |
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O1 .875 .1131 .1093 .014 .0129 .0221 .0060 -.0057 -.0020 -.0062 |
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O2 .700 .2662 .9470 .014 .0155 .0117 .0132 .0024 .0019 -.0015 |
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O3 .998 -.0544 .9548 .015 .0163 .0106 .0159 .0031 -.0009 .0003 |
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O4 .6966 -.0497 .9509 .010 .0155 .0097 .0067 -.0047 .0043 -.0053 |
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O5 .011 .2545 .9545 .012 .0093 .0125 .0137 -.0019 .0004 .0053 |
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O6 .847 .6225 .9477 .017 .0133 .0138 .0254 -.0059 .0084 -.0055 |
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O7 .735 .4563 .0963 .015 .0191 .0204 .0086 -.0065 .0114 -.0062 |
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O8 .738 .7674 .1045 .013 .0215 .0120 .0066 .0046 .0010 .0026 |
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O9 .044 .4556 .0999 .014 .0137 .0191 .0096 .0064 .0013 .0008 |
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O10 .557 .2542 .1023 .011 .0169 .0117 .0016 -.0011 -.0035 .0019 |
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O11b .8324 .0874 .7912 .015 .0121 .0161 .0158 .0008 -.0033 .0013 |
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H11A .7737 .134 .7196 .050 |
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H11B .9241 .0667 .7626 .050 |
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O12b .945 .6017 .2603 .015 .0186 .0146 .0237 -.0092 .0047 -.0053 |
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H12A .9626 .6442 .3258 .050 |
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H12B .8457 .5566 .2384 .050 |
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O13b .624 .4597 .2780 .016 .0172 .0217 .0090 .0006 .0042 -.0057 |
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H13A .633 .5436 .3234 .050 |
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H13B .5866 .4978 .2065 .050 |
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O14b .990 .307 .2777 .019 .0186 .0146 .0237 -.0093 .0047 -.0053 |
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H14A .0529 .2848 .2374 .050 |
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H14B .9869 .4099 .2824 .050 |
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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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