Ca4(PO4)2O
Dickens B, Brown W E, Kruger G J, Stewart J M
Acta Crystallographica B29 (1973) 2046-2056
Ca4(PO4)2O, tetracalcium diphosphate monooxide.
Crystal structure and relationships to Ca5(PO4)3OH and K3Na(SO4)2
Note: z(O11) corrected to match reported bond lengths
_database_code_amcsd 0009486
7.023 11.986 9.473 90 90.90 90 P2_1
atom      x      y      z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca1   .0311  .3444 .89441  .0059  .0059  .0082  .0001 -.0012  .0003
Ca2   .5320  .3000 .89733  .0066  .0082  .0077 -.0014 -.0008 -.0002
Ca3   .7654  .3040  .5299  .0207  .0045  .0129  .0000 -.0020 -.0007
Ca4   .2685  .3000 .25229  .0070  .0054  .0064  .0005 -.0006 -.0004
Ca5   .7409  .1068 .25600  .0066  .0081  .0071 -.0004 -.0011  .0000
Ca6   .2501  .0798 .01201  .0096  .0058  .0070 -.0008  .0002 -.0006
Ca7  -.0099  .0700 .63310  .0072  .0101  .0089  .0027 -.0007  .0023
Ca8   .5146  .0520 .59216  .0060  .0071  .0109 -.0004 -.0004 -.0017
P1    .7665  .3921  .2140  .0064  .0057  .0057 -.0002 -.0007 -.0002
P2    .2893  .3247  .6240  .0080  .0055  .0061 -.0006  .0000  .0000
P3    .2376  .0400  .3181  .0059  .0059  .0051 -.0004 -.0008  .0000
P4    .7641  .0773  .9104  .0054  .0056  .0062 -.0004 -.0010 -.0007
O11   .7319  .5180  .2267   .012   .005   .008   .003  -.003  -.001
O12   .6113  .3244  .2860   .010   .022   .013  -.006  -.001   .009
O13   .9541  .3663  .2936   .011   .012   .015   .002  -.005  -.003
O14   .7701  .3650  .0556   .016   .016   .006  -.005   .000  -.002
O21   .2867  .4090  .7480   .013   .009   .008   .001   .001  -.001
O22   .0960  .2645  .6226   .010   .011   .024  -.001  -.005  -.001
O23   .4557  .2434  .6594   .012   .010   .015   .005  -.001  -.004
O24   .3309  .3802  .4843   .041   .011   .006  -.008   .007  -.002
O31   .2165  .0041  .4737   .017   .010   .007   .003   .000   .002
O32   .0766  .1137  .2636   .017   .010   .007   .003   .000   .002
O33   .4194  .1082  .3023   .009   .009   .035   .000   .002   .004
O34   .2444 -.0682  .2282   .014   .016   .013   .005  -.001  -.008
O41   .5890  .1053  .9992   .010   .017   .010   .001   .001  -.005
O42   .8384  .1855  .8407   .020   .003   .014  -.002  -.001   .001
O43   .7164 -.0028  .7862   .015   .006   .008   .001  -.003  -.003
O44   .9190  .0290  .0085   .012   .013   .014   .000  -.008   .001
O1    .2642  .2629  .0163   .010   .007   .008   .000   .000  -.001
O2    .7659  .1282  .4905   .011   .006   .006   .001  -.002  -.001