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Arupite |
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Shouwen J, Wang D, Gao X, Wen X, Zhou J |
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Acta Crystallographica E64 (2008) m259-m259 |
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Poly[octaaquadi-mu-phosphato-tri-nickel(II)] |
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Locality: synthetic |
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_database_code_amcsd 0018468 |
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9.963 13.225 4.6406 90 104.730 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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Ni1 0 0 .5 .0107 .0091 .0104 .0115 0 .0007 0 |
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Ni2 .5 .10997 .5 .0105 .0103 .0087 .0117 0 .0015 0 |
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P1 .68525 0 .1161 .0094 .0069 .0100 .0105 0 .0006 0 |
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O1 .8428 0 .1229 .0127 .0069 .0174 .0127 0 .0003 0 |
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O2 .6046 0 .7859 .0111 .0099 .0094 .0127 0 .0006 0 |
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O3 .6554 -.09749 .2706 .0127 .0129 .0122 .0127 .0011 .0026 -.0004 |
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O4 .0974 .11417 .3104 .0145 .0119 .0171 .0143 -.0009 .0028 -.0005 |
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O5 .3964 .22217 .2226 .0170 .0204 .0143 .0146 .0017 .0015 .0025 |
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H1 .1208 .0890 .1618 .022 |
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H2 .1722 .1344 .4293 .022 |
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H3 .3753 .2054 .0398 .025 |
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H4 .4440 .2759 .2315 .025 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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Amarillite |
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Li J J, Zhou J L, Dong W |
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Chinese Science Bulletin 35 (1990) 2073-2075 |
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The structure of amarillite |
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Locality: Qinghai Province, China |
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_database_code_amcsd 0012226 |
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8.4190 10.8409 12.4717 90 95.495 90 C2/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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Na 0 .91671 .25 .0295 .0295 .0406 .0197 0 .0085 0 |
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Fe3+ .5 0 .5 .0182 .0239 .0213 .0103 .0011 .0063 .0025 |
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S .25833 .14758 .32305 .0185 .0264 .0179 .0121 .0013 .0055 .0016 |
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O1 .39665 .12949 .40659 .0306 .0406 .0252 .0242 .0019 -.0064 .0009 |
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Wat2 .53629 .12204 .62044 .0301 .0351 .0353 .0186 .0091 -.0048 -.0064 |
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Wat3 .70936 .04432 .44719 .0422 .0335 .0748 .0202 -.0156 .0129 .0001 |
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O4 .24068 .03375 .25903 .0250 .0381 .0222 .0156 -.0033 .0070 -.0038 |
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O5 .29336 .25360 .25852 .0283 .0369 .0229 .0253 -.0037 .0037 .0084 |
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O6 .11309 .16700 .37797 .0350 .0392 .0364 .0332 .0110 .0226 .0028 |
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Wat7 .04401 .13623 .93807 .0362 .0483 .0373 .0236 .0114 .0067 -.0009 |
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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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