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Kambaldaite |
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Engelhardt L M, Hall S R, White A H |
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American Mineralogist 70 (1985) 423-427 |
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Crystal Structure of kambaldaite, Na2Ni8(CO3)6(OH)6(H2O)6 |
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Note: U(1,2) for Na and for Ni2 has been altered to match symmetry constraints |
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_database_code_amcsd 0000983 |
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10.340 10.340 6.097 90 90 120 P6_3 |
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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 0 .3745 .0211 .0211 .0133 .01055 0 0 |
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Ni1 .5126 -.0019 .25 .0072 .0053 .0067 .0020 .0005 .0001 |
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Ni2 2/3 1/3 .6374 .0059 .0059 .0079 .00295 0 0 |
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C .7796 .2172 .008 .003 .007 .008 .0020 .0000 .0010 |
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O1 .7324 .1386 .1801 .005 .009 .010 .0000 .0000 .0020 |
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O2 .7015 .1836 -.1705 .008 .010 .007 .0040 -.0020 .0000 |
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O3 .9129 .3343 .007 .005 .009 .009 .0020 .0000 .0010 |
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O4 .5188 .1377 .4873 .010 .006 .006 .0060 -.0010 -.0010 |
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H1 .467 .159 .433 .015 |
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O5 .0998 .1948 .1233 .020 .016 .037 .0080 .0000 .0000 |
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H2 .081 .237 .107 .022 |
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H3 .17 .234 .179 .022 |
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Collinsite |
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Brotherton P D, Maslen E N, Pryce M W, White A H |
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Australian Journal of Chemistry 27 (1974) 653-656 |
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Crystal structure of collinsite |
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_database_code_amcsd 0012055 |
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5.7344 6.780 5.4413 97.29 108.56 107.28 P-1 |
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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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Mg 0 0 0 .011 .01 .01 .003 .002 .001 |
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Ca .3031 .7590 .6544 .012 .013 .012 .003 .004 .002 |
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P .3336 .2436 .6633 .011 .01 .009 .003 .002 .002 |
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O1 .3319 .1276 .8905 .012 .013 .006 .005 .002 .005 |
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O2 .2549 .0720 .4028 .011 .011 .009 0 .001 -.001 |
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O3 .1547 .3740 .6334 .013 .009 .014 .006 .005 .004 |
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O4 .6185 .3864 .7212 .009 .011 .009 .001 .002 .004 |
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O5 .9489 .2776 .0685 .011 .012 .008 .003 .003 -.003 |
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H1 .12 .39 .15 .0058 |
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H2 .77 .28 .89 .0014 |
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Baylissite |
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Bucat R B, Patrick J M, White A H, Willis A C |
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Australian Journal of Chemistry 30 (1977) 1379-1382 |
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Crystal structure of baylissite, K2Mg(CO3)2,4H2O |
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_database_code_amcsd 0012056 |
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11.404 6.228 6.826 90 99.66 90 P2_1/n |
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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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K .18426 .1441 .4149 .0282 .0227 .0229 -.0002 .0084 .0004 |
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Mg .5 0 .5 .0160 .0165 .0163 .0008 .0036 .0023 |
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C .1762 .1494 .9210 .0179 .0176 .0177 -.0023 .0058 .0017 |
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O1 .1464 .3032 1.0272 .0203 .0189 .0216 .0047 .0037 -.0049 |
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O2 .2780 .0585 .9674 .0186 .0228 .0272 .0056 .0056 -.0006 |
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O3 .1032 .0846 .7657 .0265 .0229 .0200 .0012 .0041 -.0045 |
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Wat1 .4428 .1658 .7359 .0350 .0207 .0332 .0008 .0194 .0008 |
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Wat2 .4068 .2156 .2956 .0189 .0229 .0252 -.0011 .0026 .0037 |
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Kremersite |
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Figgis B N, Raston C L, Sharma R P, White A H |
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Australian Journal of Chemistry 31 (1978) 2717-2720 |
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Crystal structure of diammonium aquapentachloroferrate(III) |
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Locality: synthetic |
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_database_code_amcsd 0012057 |
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13.706 9.924 7.024 90 90 90 Pnma |
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atom x y z |
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N .1413 .0003 .6598 |
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H2 .1957 .0026 .6203 |
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H3 .1554 -.0011 .8025 |
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H4 .1105 .0801 .6256 |
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H5 .1062 -.0601 .6802 |
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Fe .11630 .25 .18960 |
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Cl1 .10474 .01062 .1761 |
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Cl2 .00596 .25 .4531 |
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Cl3 .24782 .25 .3982 |
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Cl4 .22316 .25 -.0720 |
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O -.0034 .25 .0006 |
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H1 -.0256 .1704 -.0471 |
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