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Ca4(PO4)2O |
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Dickens B, Brown W E, Kruger G J, Stewart J M |
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Acta Crystallographica B29 (1973) 2046-2056 |
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Ca4(PO4)2O, tetracalcium diphosphate monooxide. |
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Crystal structure and relationships to Ca5(PO4)3OH and K3Na(SO4)2 |
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Note: z(O11) corrected to match reported bond lengths |
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_database_code_amcsd 0009486 |
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7.023 11.986 9.473 90 90.90 90 P2_1 |
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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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Ca1 .0311 .3444 .89441 .0059 .0059 .0082 .0001 -.0012 .0003 |
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Ca2 .5320 .3000 .89733 .0066 .0082 .0077 -.0014 -.0008 -.0002 |
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Ca3 .7654 .3040 .5299 .0207 .0045 .0129 .0000 -.0020 -.0007 |
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Ca4 .2685 .3000 .25229 .0070 .0054 .0064 .0005 -.0006 -.0004 |
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Ca5 .7409 .1068 .25600 .0066 .0081 .0071 -.0004 -.0011 .0000 |
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Ca6 .2501 .0798 .01201 .0096 .0058 .0070 -.0008 .0002 -.0006 |
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Ca7 -.0099 .0700 .63310 .0072 .0101 .0089 .0027 -.0007 .0023 |
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Ca8 .5146 .0520 .59216 .0060 .0071 .0109 -.0004 -.0004 -.0017 |
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P1 .7665 .3921 .2140 .0064 .0057 .0057 -.0002 -.0007 -.0002 |
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P2 .2893 .3247 .6240 .0080 .0055 .0061 -.0006 .0000 .0000 |
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P3 .2376 .0400 .3181 .0059 .0059 .0051 -.0004 -.0008 .0000 |
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P4 .7641 .0773 .9104 .0054 .0056 .0062 -.0004 -.0010 -.0007 |
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O11 .7319 .5180 .2267 .012 .005 .008 .003 -.003 -.001 |
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O12 .6113 .3244 .2860 .010 .022 .013 -.006 -.001 .009 |
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O13 .9541 .3663 .2936 .011 .012 .015 .002 -.005 -.003 |
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O14 .7701 .3650 .0556 .016 .016 .006 -.005 .000 -.002 |
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O21 .2867 .4090 .7480 .013 .009 .008 .001 .001 -.001 |
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O22 .0960 .2645 .6226 .010 .011 .024 -.001 -.005 -.001 |
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O23 .4557 .2434 .6594 .012 .010 .015 .005 -.001 -.004 |
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O24 .3309 .3802 .4843 .041 .011 .006 -.008 .007 -.002 |
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O31 .2165 .0041 .4737 .017 .010 .007 .003 .000 .002 |
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O32 .0766 .1137 .2636 .017 .010 .007 .003 .000 .002 |
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O33 .4194 .1082 .3023 .009 .009 .035 .000 .002 .004 |
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O34 .2444 -.0682 .2282 .014 .016 .013 .005 -.001 -.008 |
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O41 .5890 .1053 .9992 .010 .017 .010 .001 .001 -.005 |
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O42 .8384 .1855 .8407 .020 .003 .014 -.002 -.001 .001 |
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O43 .7164 -.0028 .7862 .015 .006 .008 .001 -.003 -.003 |
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O44 .9190 .0290 .0085 .012 .013 .014 .000 -.008 .001 |
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O1 .2642 .2629 .0163 .010 .007 .008 .000 .000 -.001 |
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O2 .7659 .1282 .4905 .011 .006 .006 .001 -.002 -.001 |
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