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Gatehouseite |
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Ruszala F A, Anderson J B, Kostiner E |
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Inorganic Chemistry 16 (1977) 2417-2422 |
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Crystal structures of two isomorphs of arsenoclasite: |
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Co5(PO4)2(OH)4 and Mn5(PO4)2(OH)4 |
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Locality: synthetic |
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_database_code_amcsd 0012684 |
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9.110 18.032 5.6923 90 90 90 P2_12_12_1 |
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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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Mn1 .37734 .12443 .4464 .002982 .000823 .007098 .000061 -.000048 -.000049 |
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Mn2 .39044 .02892 .9493 .003314 .000746 .007638 -.000137 .000145 .000000 |
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Mn3 .35093 .22503 .9350 .003404 .000846 .007330 -.000137 .000482 -.000097 |
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Mn4 .74725 .93286 .7653 .003073 .000792 .007716 .000015 -.000193 .000000 |
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Mn5 .50318 .81984 .0860 .003344 .000946 .007253 .000122 -.000096 -.000122 |
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P1 .6787 .12243 .8052 .002169 .000761 .005401 .000076 .000096 -.000146 |
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P2 .4297 .87349 .6197 .002500 .000700 .005864 .000076 -.000048 .000049 |
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O1 .7440 .8566 .0742 .002892 .000900 .007793 -.000183 .000048 .000049 |
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O2 .5093 .1271 .7760 .002741 .001069 .008719 -.000289 -.000723 .000219 |
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O3 .7260 .1713 .0110 .002741 .000884 .008641 .000198 -.000820 -.000268 |
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O4 .7177 .0424 .8803 .004097 .000661 .007947 .000107 -.000386 -.000317 |
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O5 .2603 .8755 .6195 .002651 .000992 .007793 -.000152 .000241 -.000268 |
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O6 .4959 .9297 .7944 .003042 .001061 .009953 .000122 -.000386 -.000706 |
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O7 .4833 .8908 .3715 .003073 .000923 .006712 -.000030 .000096 .000268 |
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O8 .4820 .7976 .7113 .003524 .000730 .007870 .000061 .000289 .000000 |
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OH9 .4675 .2175 .2538 .003163 .000861 .006790 -.000243 .000096 .000000 |
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OH10 .2648 .7950 .1190 .003555 .000853 .008256 -.000061 -.000241 -.000365 |
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OH11 .2545 .0434 .6427 .003765 .000869 .007716 .000030 .000241 -.000049 |
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OH12 .5181 .0481 .2704 .003163 .000761 .008719 .000335 -.000579 -.000097 |
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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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Gatehouseite |
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Elliott P, Pring A |
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Mineralogical Magazine 75 (2011) 2823-2832 |
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The crystal structure of gatehouseite |
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Locality: Iron Monarch quarry, Iron Knob, South Australia, Australia |
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_database_code_amcsd 0018567 |
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17.9733 5.6916 9.130 90 90 90 P2_12_12_1 |
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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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Mn1 .43287 .26702 .75423 .0127 .0142 .0136 .0105 .0000 .0001 -.0003 |
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Mn2 .02916 .05350 .89058 .0136 .0142 .0128 .0136 .0013 -.0014 -.0002 |
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Mn3 .22447 .06464 .85360 .0127 .0148 .0120 .0112 .0007 -.0015 -.0002 |
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Mn4 .12506 .55556 .87768 .0108 .0128 .0098 .0098 -.0001 .0004 -.0003 |
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Mn5 .32013 .58215 -.00286 .0137 .0159 .0128 .0125 -.0001 -.0017 .0003 |
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P1 .37369 .1163 .07189 .88 .0132 .0165 .0141 .0089 -.0001 .0000 -.0003 |
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Si1 .37369 .1163 .07189 .09 .0132 .0165 .0141 .0089 -.0001 .0000 -.0003 |
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As1 .37369 .1163 .07189 .03 .0132 .0165 .0141 .0089 -.0001 .0000 -.0003 |
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P2 .12297 .1934 .17988 .88 .0087 .0111 .0094 .0055 .0005 -.0017 .0001 |
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Si2 .12297 .1934 .17988 .09 .0087 .0111 .0094 .0055 .0005 -.0017 .0001 |
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As2 .12297 .1934 .17988 .03 .0087 .0111 .0094 .0055 .0005 -.0017 .0001 |
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Oh1 .0486 .7275 .0169 .0173 .019 .019 .014 .001 -.001 -.005 |
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Oh2 .2042 .3842 .7371 .0155 .014 .015 .017 .001 .001 .0004 |
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Oh3 .0440 .3658 .7560 .0174 .021 .019 .013 .002 .001 .0035 |
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Oh4 .2165 .7409 -.0300 .0176 .021 .022 .010 -.0032 -.0019 .001 |
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O5 .1437 .4287 .2575 .0157 .024 .0133 .010 .000 -.003 -.0017 |
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O6 .1273 .2246 .0091 .0148 .017 .0154 .012 .0030 -.003 .002 |
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O7 .1732 -.0138 .2280 .0167 .019 .014 .017 -.0013 -.001 .0029 |
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O8 .0427 .1159 .2190 .0187 .017 .019 .020 -.005 -.002 .001 |
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O9 .3760 .1170 .2434 .0141 .018 .0165 .008 -.0007 -.0011 .000 |
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O10 .2969 .2115 .0201 .0183 .016 .019 .020 -.001 -.002 .001 |
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O11 .4311 .2926 .0037 .0179 .021 .021 .012 .002 -.002 -.005 |
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O12 .3909 .8645 .0188 .0176 .018 .022 .013 -.002 -.0023 -.0020 |
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H1 .002 .649 .017 .05 |
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H2 .245 .487 .761 .05 |
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H3 .074 .330 .672 .05 |
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H4 .212 .785 .072 .05 |
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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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