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Ferricopiapite |
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Fanfani L, Nunzi A, Zanazzi P F, Zanzari A R |
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American Mineralogist 58 (1973) 314-322 |
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The copiapite problem: The crystal structure of a ferrian copiapite |
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Locality: Coso Hot Spring, Inyo County, California, USA |
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_database_code_amcsd 0000315 |
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7.390 18.213 7.290 93.67 102.05 99.27 P-1 |
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atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Fe1 0 0 0 .43 .0158 .0032 .0166 .0012 .0038 .0006 |
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Al1 0 0 0 .23 .0158 .0032 .0166 .0012 .0038 .0006 |
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Zn1 0 0 0 .03 .0158 .0032 .0166 .0012 .0038 .0006 |
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Fe2 .7848 .3135 .5524 .0090 .0025 .0102 .0007 .0008 .0005 |
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Fe3 .5990 .6718 .8058 .0091 .0026 .0097 .0009 .0011 .0004 |
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S1 .8325 .7398 .2195 .0072 .0024 .0068 .0009 .0009 .0006 |
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S2 .8170 .4175 .2188 .0076 .0020 .0086 .0006 .0021 .0009 |
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S3 .6402 .1927 .1953 .0090 .0019 .0079 .0011 .0007 .0003 |
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O1 .7367 .6750 .0714 .0141 .0021 .0099 .0006 -.0019 .0004 |
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O2 .6930 .7698 .2963 .0095 .0035 .0155 .0013 .0044 .0004 |
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O3 .0483 .2921 .6322 .0079 .0037 .0142 .0015 -.0006 .0014 |
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O4 .0527 .2022 .8547 .0149 .0029 .0154 .0003 .0014 .0012 |
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O5 .6201 .3910 .1085 .0095 .0033 .0052 .0000 .0021 .0001 |
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O6 .8296 .4886 .3208 .0102 .0018 .0150 .0015 .0013 .0016 |
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O7 .8774 .3626 .3474 .0085 .0026 .0084 .0014 .0011 .0014 |
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O8 .9350 .4228 .0842 .0083 .0033 .0095 .0013 .0030 .0009 |
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O9 .5655 .1159 .1687 .0261 .0027 .0094 .0023 -.0001 -.0002 |
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O10 .5099 .7637 .8635 .0086 .0029 .0100 .0012 -.0001 .0001 |
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O11 .7921 .2131 .0980 .0094 .0040 .0093 .0009 .0039 .0011 |
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O12 .7185 .2128 .4053 .0119 .0020 .0109 .0017 .0009 .0011 |
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OH13 .4626 .6604 .5454 .0083 .0030 .0118 .0017 .0003 .0016 |
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Wat14 .6859 .2699 .7673 .0112 .0028 .0091 -.0003 .0016 .0005 |
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Wat15 .8686 .4142 .7138 .0139 .0031 .0150 .0022 .0030 .0012 |
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Wat16 .2076 .9474 .0665 .0373 .0066 .0389 .0023 -.0009 -.0026 |
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Wat17 .6933 .5740 .7598 .0114 .0025 .0136 .0018 .0010 .0009 |
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Wat18 .0158 .9866 .7338 .0500 .0071 .0369 .0009 .0116 .0003 |
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Wat19 .8301 .7282 .7309 .0127 .0027 .0115 .0003 .0045 -.0006 |
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Wat20 .1713 .0926 .0473 .0302 .0053 .0507 .0012 -.0022 .0015 |
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Wat21 .7660 .9196 .4381 .0315 .0049 .0321 .0013 .0051 -.0016 |
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Wat22 .5280 .5608 .2767 .0139 .0028 .0144 .0022 .0072 .0000 |
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Wat23 .6356 .0743 .5949 .0524 .0061 .0430 .0040 .0086 .0043 |
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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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Ferricopiapite |
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Majzlan J, Kiefer B |
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The Canadian Mineralogist 44 (2006) 1227-1237 |
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An X-ray and neutron-diffraction study of synthetic ferricopiapite, |
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Fe14/3(SO4)6(OD,OH)2(D2O,H2O)20, and ab-initio calculations on the structure of |
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magnesiocopiapite MgFe4(SO4)6(OH)2(H2O)20 |
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Locality: synthetic |
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_database_code_amcsd 0006121 |
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7.3926 18.3806 7.3361 93.933 102.212 98.900 P-1 |
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atom x y z occ Uiso |
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FeA 0 0 0 .633 .015 |
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Fe1 .7871 .3154 .5507 .014 |
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Fe2 .5950 .6695 .8052 .015 |
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S1 .8291 .7351 .2189 .030 |
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S2 .8197 .4189 .2232 .018 |
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S3 .6405 .1948 .1988 .031 |
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O1 .736 .6698 .081 .029 |
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O2 .691 .7671 .305 .007 |
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O3 .047 .2939 .625 .043 |
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O4 .056 .2062 .852 .016 |
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O5 .628 .3921 .110 .008 |
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O6 .846 .4923 .335 .027 |
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O7 .880 .3614 .336 .008 |
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O8 .936 .4215 .084 .025 |
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O9 .560 .1156 .174 .014 |
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O10 .510 .7602 .866 .004 |
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O11 .788 .2130 .093 .024 |
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O12 .726 .2190 .400 .031 |
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Oh13 .459 .6623 .539 .014 |
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Ow14 .695 .2725 .757 .037 |
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Ow15 .859 .4113 .726 .012 |
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Ow16 .232 .9478 .085 .134 |
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Ow17 .692 .5723 .760 .020 |
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Ow18 .050 .9839 .735 .154 |
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Ow19 .830 .7298 .742 .033 |
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Ow20 .178 .0917 .049 .106 |
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Ow21 .770 .9100 .446 .076 |
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Ow22 .534 .5597 .286 .024 |
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Ow23 .643 .0740 .565 .110 |
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D1 .495 .6263 .458 .001 |
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D2 .746 .2537 .873 .015 |
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D3 .557 .2612 .743 .009 |
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D4 .900 .4147 .864 .061 |
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D5 .953 .4470 .683 .018 |
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D6 .293 .9357 .216 .124 |
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D7 .302 .9442 -.018 .159 |
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D8 .828 .5710 .809 .012 |
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D9 .622 .5218 .750 .017 |
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D10 .113 .0252 .681 .225 |
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D11 -.074 .9576 .646 .099 |
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D12 .838 .7200 .611 .054 |
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D13 .952 .7492 .817 .035 |
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D14 .314 .0983 .107 .164 |
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D15 .152 .1366 -.011 .083 |
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D16 .675 .9383 .401 .109 |
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D17 .750 .8609 .377 .064 |
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D18 .659 .5453 .309 .087 |
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D19 .506 .5828 .168 .036 |
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D20 .506 .0727 .542 .204 |
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D21 .714 .1228 .551 .145 |
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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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Ferricopiapite |
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Majzlan J, Navrotsky A, McCleskey R B, Alpers C N |
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European Journal of Mineralogy 18 (2006) 175-186 |
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Thermodynamic properties and crystal structure refinement of |
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ferricopiapite, coquimbite, rhomboclase, and Fe2(SO4)3(H2O)5 |
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Locality: synthetic |
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_database_code_amcsd 0007143 |
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7.3867 18.363 7.3275 93.940 102.201 98.916 P-1 |
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atom x y z occ Uiso |
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Fe1 0 0 0 .619 .0299 |
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Fe2 .7852 .31526 .5522 .0299 |
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Fe3 .5975 .67010 .8063 .0299 |
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S1 .8347 .7377 .2221 .0347 |
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S2 .8202 .4161 .2173 .0347 |
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S3 .6417 .1943 .1948 .0347 |
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O1 .741 .6755 .076 .0458 |
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O2 .685 .7644 .302 .0458 |
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O3 .053 .2961 .626 .0458 |
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O4 .055 .2053 .856 .0458 |
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O5 .621 .3915 .114 .0458 |
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O6 .836 .4896 .323 .0458 |
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O7 .883 .3609 .342 .0458 |
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O8 .937 .4245 .081 .0458 |
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O9 .560 .1156 .167 .0458 |
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O10 .510 .7613 .869 .0458 |
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O11 .791 .2163 .091 .0458 |
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O12 .723 .2169 .402 .0458 |
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O13 .468 .6594 .543 .0458 |
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O14 .692 .2725 .764 .0458 |
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O15 .866 .4144 .722 .0458 |
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O16 .225 .9516 .080 .0458 |
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O17 .696 .5723 .758 .0458 |
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O18 .041 .9885 .737 .0458 |
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O19 .834 .7266 .731 .0458 |
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O20 .173 .0938 .061 .0458 |
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O21 .768 .9160 .444 .0458 |
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O22 .536 .5621 .284 .0458 |
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O23 .642 .0732 .593 .0458 |
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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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