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Cavansite |
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Evans H T |
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American Mineralogist 58 (1973) 412-424 |
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The crystal structures of cavansite and pentagonite |
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_database_code_amcsd 0000316 |
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9.792 13.644 9.629 90 90 90 Pcmn |
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atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Ca .0829 .25 .3810 .0037 .0025 .0035 0 .0005 0 |
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V .4033 .25 .5271 .0042 .0022 .0039 0 -.0002 0 |
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Si1 .0954 .0336 .1839 .0024 .0022 .0023 -.0002 -.0010 .0002 |
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Si2 .3165 .0431 .3925 .0024 .0018 .0026 .0003 -.0005 -.0003 |
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O1 .0846 .1509 .1765 .0056 .0012 .0021 .0002 .0003 -.0009 |
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O2 .2945 .1591 .4124 .0067 .0025 .0035 -.0002 -.0017 -.0009 |
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O3 .4477 .0203 .2962 .0032 .0028 .0011 -.0008 .0006 .0000 |
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O4 .1671 -.0118 .0423 .0041 .0017 .0018 -.0009 .0005 -.0009 |
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O5 .1847 -.0062 .3176 .0053 .0033 .0020 -.0014 .0020 .0006 |
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O6 .5515 .25 .4570 .0037 .0045 .0101 0 .0001 0 |
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Wat7 .9471 .1186 .4700 .0118 .0045 .0113 -.0040 .0028 .0001 |
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Wat8 .3709 .25 .1387 .0218 .0068 .0009 0 .0112 0 |
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Wat9 .8092 .25 .2806 .0137 .0116 .0303 0 .0117 0 |
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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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Cavansite |
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Danisi R M, Armbruster T, Lazic B |
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American Mineralogist 97 (2012) 1874-1880 |
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In situ dehydration behavior of zeolite-like cavansite: A single-crystal X-ray study |
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Note: room temperature |
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Locality: Wagholi quarry, Poona district, India |
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_database_code_amcsd 0019718 |
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9.6329 13.6606 9.7949 90 90 90 Pnma |
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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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V .02594 .25 .09618 .01042 .00849 .00946 .01330 0 .00076 0 |
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Ca -.38231 .75 -.08263 .01275 .01036 .01118 .0167 0 .00069 0 |
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Si1 -.18305 .53318 -.09496 .00808 .00635 .00920 .00869 .00008 -.00063 .00054 |
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Si2 -.10728 .45691 .18382 .00766 .00691 .00834 .00772 .00042 .00091 .00053 |
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O1 -.17796 .65027 -.08597 .0128 .0093 .0098 .0193 -.0007 .0002 -.0007 |
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O2 -.08731 .34231 .20600 .0137 .0154 .0091 .0168 .0021 .0052 .0015 |
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O3 -.20339 .47968 .05164 .0144 .0122 .0212 .0099 -.0003 -.0014 .0039 |
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O4 -.04191 .48914 -.16578 .0122 .0082 .0113 .0172 -.0001 .0026 -.0015 |
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O5 -.31477 .49541 -.18514 .0112 .0103 .0122 .0111 -.0013 -.0039 .0019 |
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O6 -.0430 .25 -.05191 .0237 .0231 .0287 .0192 0 -.0052 0 |
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O7 -.46993 .88139 .05339 .0442 .0340 .0489 .0498 .0048 .0089 -.0273 |
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H7A -.421 .869 .136 .080 |
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H7B -.5615 .891 .081 .080 |
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O8 -.6383 .75 -.1258 .0374 .0146 .0319 .0658 0 -.0048 0 |
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H8 -.685 .6944 -.093 .080 |
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O9 -.2832 .75 .1898 .0775 .066 .109 .058 0 .0091 0 |
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H9A -.330 .75 .276 .080 |
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H9B -.192 .75 .230 .080 |
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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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Cavansite |
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Danisi R M, Armbruster T, Lazic B |
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American Mineralogist 97 (2012) 1874-1880 |
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In situ dehydration behavior of zeolite-like cavansite: A single-crystal X-ray study |
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Note: T = 75 C |
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Locality: Wagholi quarry, Poona district, India |
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_database_code_amcsd 0019719 |
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9.60900 13.6833 9.7559 90 90 90 Pnma |
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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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V .02600 .25 .09027 .01219 .0098 .0118 .0150 0 .00105 0 |
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Ca -.38248 .75 -.08753 .01422 .0119 .0135 .0173 0 .00026 0 |
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Si1 -.18529 .53429 -.09246 .00969 .0071 .0116 .0104 -.00016 -.00049 .00078 |
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Si2 -.10434 .45653 .18578 .00934 .0082 .0101 .0097 .00053 .00136 .00080 |
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O1 -.17964 .65118 -.08307 .0150 .0107 .0122 .0220 -.0002 .0014 -.0010 |
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O2 -.08347 .34199 .20472 .0169 .0189 .0110 .0207 .0029 .0079 .0016 |
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O3 -.20289 .48168 .05573 .0174 .0132 .0262 .0127 -.0008 -.0020 .0049 |
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O4 -.04573 .49007 -.16576 .0146 .0098 .0142 .0199 -.0005 .0039 -.0018 |
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O5 -.31993 .49792 -.17994 .0138 .0121 .0154 .0138 -.0021 -.0049 .0030 |
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O6 -.0455 .25 -.0566 .0294 .0289 .0370 .0222 0 -.0080 0 |
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O7 -.4471 .8517 .1035 .270 .0448 |
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O7A -.3993 .8184 .1464 .245 .0448 |
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O7B -.4643 .8806 .0570 .557 .0448 |
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O8 -.6396 .75 -.0987 .0756 .0215 .099 .106 0 -.0007 0 |
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O9 -.295 .75 .188 .105 .0448 |
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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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Cavansite |
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Danisi R M, Armbruster T, Lazic B |
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American Mineralogist 97 (2012) 1874-1880 |
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In situ dehydration behavior of zeolite-like cavansite: A single-crystal X-ray study |
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Note: T = 175 C |
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Locality: Wagholi quarry, Poona district, India |
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_database_code_amcsd 0019720 |
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9.4746 13.2620 9.6050 90 90 90 Pnma |
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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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V .03479 .25 .09988 .01642 .0140 .0168 .0185 0 .00103 0 |
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Ca -.38889 .75 -.07578 .01849 .0163 .0197 .0194 0 -.0001 0 |
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Si1 -.19261 .52653 -.08317 .01415 .0108 .0170 .0146 .00016 -.00055 .00178 |
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Si2 -.09206 .46155 .19910 .01366 .0124 .0155 .0131 .00114 .00162 .00137 |
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O1 -.18823 .64770 -.07596 .0199 .0153 .0172 .0272 -.0002 .0017 -.0011 |
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O2 -.05978 .34527 .22691 .0218 .0248 .0168 .0237 .0043 .0087 .0027 |
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O3 -.20100 .47554 .07010 .0226 .0180 .0328 .0169 -.0008 -.0025 .0063 |
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O4 -.05458 .48034 -.16282 .0196 .0144 .0194 .0250 -.0003 .0050 .0001 |
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O5 -.33434 .48941 -.16389 .0189 .0158 .0220 .0190 -.0018 -.0051 .0037 |
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O6 -.0552 .25 -.0398 .0337 .0326 .0404 .0282 0 -.0086 0 |
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O7 -.430 .7778 .1679 .162 .044 |
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O7A -.3625 .7750 .1759 .203 .044 |
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O7B -.397 .810 .161 .142 .044 |
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O8 -.6409 .75 -.0485 .121 .035 .172 .157 0 .029 0 |
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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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Cavansite |
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Danisi R M, Armbruster T, Lazic B |
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American Mineralogist 97 (2012) 1874-1880 |
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In situ dehydration behavior of zeolite-like cavansite: A single-crystal X-ray study |
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Note: T = 350 C |
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Locality: Wagholi quarry, Poona district, India |
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_database_code_amcsd 0019721 |
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9.39 13.11 9.39 90 90 90 Pnma |
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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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V .0374 .25 .0993 .0323 .0308 .0317 .0343 0 .0063 0 |
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Ca -.3884 .75 -.0715 .0373 .0358 .0357 .0405 0 -.0030 0 |
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Si1 -.1968 .52399 -.0781 .0256 .0211 .0300 .0255 .0000 -.0021 .0024 |
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Si2 -.0833 .46265 .2073 .0243 .0241 .0293 .0195 .0008 .0041 .0015 |
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O1 -.1921 .6461 -.0706 .0373 .030 .033 .049 .000 .002 .001 |
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O2 -.0485 .3461 .2374 .0378 .048 .032 .033 .006 .016 .004 |
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O3 -.1946 .4739 .0777 .0366 .034 .054 .022 -.002 -.003 .007 |
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O4 -.0631 .4784 -.1666 .0309 .023 .035 .035 .000 .003 .003 |
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O5 -.3434 .4873 -.1524 .0310 .031 .038 .024 -.001 -.004 .008 |
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O6 -.0568 .25 -.0373 .061 .067 .068 .048 0 -.010 0 |
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O7 -.517 .780 .134 .25 .129 |
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O7B -.415 .782 .181 .22 .129 |
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O8 -.590 .75 .018 .24 .129 |
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  |
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Cavansite |
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Hughes J M, Derr R S, Cureton F, Campana C F, Druschel G |
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The Canadian Mineralogist 49 (2011) 1267-1272 |
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The crystal structure of cavansite: location of the H2O molecules and |
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hydrogen atoms in Ca(VO)(Si4O10)*4H2O |
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Note: T = 100 K |
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Locality: Pune, India |
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_database_code_amcsd 0018620 |
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9.7518 13.6854 9.5965 90 90 90 Pcmn |
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atom x y z Uiso |
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V .403461 .25 .527127 .00441 |
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Ca .081188 .25 .384158 .00538 |
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Si1 .092905 .033726 .184986 .00382 |
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Si2 .314548 .043079 .394816 .00367 |
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O1 .08484 .150457 .17923 .00609 |
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O2 .29352 .157711 .41364 .00677 |
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O3 .44562 .019683 .29592 .00688 |
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O4 .16568 .989344 .04467 .00605 |
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O5 .18145 .995496 .31844 .00555 |
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O6 .55289 .25 .45740 .01021 |
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OW7 .94626 .11855 .47063 .01585 |
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H7a -.1211 .1117 .4266 .034 |
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H7b -.0728 .0887 .5460 .031 |
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OW8 .13254 .25 .63927 .01471 |
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H8a .1283 .2993 .6935 .047 |
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OW9 .81138 .25 .28676 .02668 |
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H9a -.2705 .25 .3162 .033 |
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H9b -.202 .25 .197 .057 |
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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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Cavansite |
 |
Hughes J M, Derr R S, Cureton F, Campana C F, Druschel G |
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The Canadian Mineralogist 49 (2011) 1267-1272 |
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The crystal structure of cavansite: location of the H2O molecules and |
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hydrogen atoms in Ca(VO)(Si4O10)*4H2O |
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Note: T = 296 K |
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Locality: Pune, India |
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_database_code_amcsd 0018621 |
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9.7614 13.6666 9.6049 90 90 90 Pcmn |
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atom x y z Uiso |
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V .40796 .25 .52610 .00958 |
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Ca .08632 .25 .38270 .01177 |
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Si1 .09326 .03399 .18476 .00784 |
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Si2 .31501 .04327 .39474 .00758 |
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O1 .08426 .15083 .17913 .01217 |
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O2 .29503 .15790 .41533 .01367 |
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O3 .44570 .01877 .29636 .01436 |
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O4 .16543 .98960 .04456 .01233 |
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O5 .18173 .99676 .31835 .01163 |
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O6 .55529 .25 .45570 .0235 |
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OW7 .9388 .12314 .4635 .0654 |
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H7a -.1294 .1168 .4201 .078 |
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H7b -.0801 .0936 .5387 .078 |
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OW8 .1128 .25 .6393 .0541 |
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H8a .1083 .2993 .6932 .065 |
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OW9 .8098 .25 .295 .396 |
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H9a -.2717 .25 .3235 .475 |
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H9b -.2046 .25 .2052 .475 |
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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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Cavansite |
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Ishida N, Kimata M, Nishida N, Hatta T, Shimizu M, Akasaka T |
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Journal of Mineralogical and Petrological Sciences 104 (2009) 241-252 |
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Polymorphic relation between cavanite and pentagonite: |
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genetic implications of oxonium ion in cavansite |
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Locality: Deccan basalts, Wagholi, India |
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_database_code_amcsd 0019264 |
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9.794 13.670 9.643 90 90 90 Pcmn |
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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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Ca .0821 .25 .3821 .0121 .0148 .0112 .0103 0 .0007 0 |
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V .4035 .25 .5259 .0100 .0120 .0094 .0085 0 -.0009 0 |
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Sil .0952 .0332 .1828 .0081 .0078 .0096 .0069 -.0004 -.0005 -.0002 |
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Si2 .3162 .0431 .3926 .0076 .0067 .0083 .0077 .0003 -.0010 -.0003 |
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O1 .0863 .1503 .1774 .0127 .0193 .0096 .0093 .0008 .0003 .0003 |
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O2 .2937 .1577 .4123 .0127 .0157 .0074 .0150 .0012 -.0052 -.0011 |
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O3 .4486 .0201 .2968 .0139 .0086 .0211 .0118 .0039 .0024 .0004 |
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O4 .1661 -.0109 .0421 .0118 .0164 .0103 .0088 .0011 .0029 .0003 |
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O5 .1855 -.0045 .3141 .0111 .0118 .0113 .0103 -.0021 -.0030 .0019 |
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O6 .5522 .25 .4573 .0221 .018 .025 .023 0 .005 0 |
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OH7 .9460 .1183 .4708 .0418 .048 .044 .033 -.026 .008 .004 |
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Wat8 .3743 .25 .1387 .0344 .058 .031 .014 0 .004 0 |
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O9 .8100 .25 .2836 .0723 .057 .099 .061 0 .009 0 |
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H91 .8100 .25 .2836 .0723 .057 .099 .061 0 .009 0 |
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H92 .8100 .25 .2836 .0723 .057 .099 .061 0 .009 0 |
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H93 .8100 .25 .2836 .0723 .057 .099 .061 0 .009 0 |
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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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