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Reichenbachite |
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Anderson J B, Shoemaker G L, Kostiner E, Ruszala F A |
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American Mineralogist 62 (1977) 115-121 |
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The crystal structure of synthetic Cu5(PO4)2(OH)4, a polymorph of |
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pseudomalachite |
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_database_code_amcsd 0000558 |
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9.186 10.684 4.461 90 92.31 90 P2_1/a |
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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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Cu1 0 0 0 .001632 .000920 .017239 0 .002444 0 |
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Cu2 .36470 .07582 .02040 .000772 .000810 .017616 .000229 -.000122 -.001050 |
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Cu3 .13548 .26393 .03540 .001128 .000767 .015225 .000382 -.001039 -.000735 |
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P .38740 .29890 .47930 .000712 .000723 .011199 -.000178 .000122 -.000157 |
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O1 -.0023 .1282 .2997 .001513 .001577 .016861 .000229 .000000 -.001627 |
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O2 .2932 .2155 .2560 .000920 .000964 .013841 -.000051 -.001100 -.000892 |
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O3 .2896 .3826 .6570 .003086 .001424 .020636 .000535 .002933 -.001732 |
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O4 .4725 .2051 .6834 .001424 .001292 .013967 -.000484 -.001283 .000945 |
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O5 .0724 .4202 .1625 .001246 .000635 .016106 -.000204 .000978 -.000052 |
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O6 .1687 .0890 -.1646 .001039 .000131 .016484 -.000459 .000917 -.001155 |
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Pseudomalachite |
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Shoemaker G L, Anderson J B, Kostiner E |
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American Mineralogist 62 (1977) 1042-1048 |
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Refinement of the crystal structure of pseudomalachite |
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_database_code_amcsd 0000600 |
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4.4728 5.7469 17.032 90 91.043 90 P2_1/c |
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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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Cu1 0 0 0 .015626 .007418 .001138 0 .001412 0 |
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Cu2 .0461 .4726 .08560 .014751 .009538 .000655 .003210 -.000098 .000102 |
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Cu3 -.0171 .3287 .25705 .015501 .006586 .000922 -.000973 -.001280 .000204 |
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P .5255 .0942 .13480 .009375 .007418 .000638 -.000097 -.000098 .000000 |
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O1 .7109 .1561 .0622 .014500 .011733 .000879 .000973 .000854 .000102 |
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O2 .3242 .3059 .1511 .015251 .009538 .000776 .005545 -.000263 -.000230 |
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O3 .7405 .0762 .2077 .014876 .006510 .000853 .000195 -.001149 .000204 |
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O4 .3487 .8725 .1247 .017501 .011354 .001535 -.002918 -.000788 -.000026 |
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OH5 .1722 .3201 -.0142 .012000 .008554 .000793 .001362 .000000 .000128 |
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OH6 .1521 .0719 .3166 .011000 .006207 .000707 -.000875 -.000427 .000281 |
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Ludjibaite |
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Shoemaker G L, Anderson J B, Kostiner E |
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American Mineralogist 66 (1981) 169-175 |
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The crystal structure of a third polymorph of Cu5(PO4)2(OH)4 |
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Note: related to pseudomalachite and ludjibaite |
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_database_code_amcsd 0000808 |
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4.445 5.873 8.668 103.62 90.35 93.02 P-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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Cu1 0 .5 .5 .010281 .003926 .003489 -.000494 -.002876 .000156 |
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Cu2 0 0 0 .009393 .004080 .001762 -.001878 -.000669 .001042 |
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Cu3 0 .5 0 .011170 .003310 .003947 -.000593 .003678 .000729 |
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Cu4 .03434 -.03012 .32894 .011677 .006158 .001515 -.003657 .000201 .000781 |
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P .5087 .3265 .22657 .005458 .004080 .001868 -.000692 .000268 .000521 |
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O1 .6980 .3087 .0767 .012820 .006543 .002502 -.002471 .002274 .001198 |
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O2 .7054 .2946 .3657 .010154 .006774 .002925 -.002471 -.002608 .001302 |
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O3 .2844 .1029 .1873 .009900 .007390 .002114 -.004646 .000067 .000781 |
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O4 .6632 .4524 .7330 .012693 .006466 .005815 .003756 .000869 .000521 |
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OH5 .1695 .1955 .5272 .007743 .005388 .002114 -.000988 -.000535 .001198 |
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OH6 .1551 .2078 .8721 .006981 .004618 .001938 -.000593 .000669 .000781 |
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