Bergenite
	Locock A J, Burns P C
	The Canadian Mineralogist 41 (2003) 91-101
	The crystal structure of bergenite, a new geometrical isomer of the
	phosphuranylite group
	_database_code_amcsd 0005828
	10.092 17.245 17.355 90 113.678 90 P2_1/c
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	U(1) .3119 .3921 .6823 .012 .011 .006 .014 .001 -.002 -.001
	U(2) .3234 .6086 .6779 .013 .011 .007 .015 .000 -.001 .000
	U(3) .0002 .3929 .9942 .012 .008 .007 .017 -.001 .001 .000
	U(4) 0 1/2 1/2 .016 .015 .011 .015 .001 -.002 .001
	U(5) .6382 .5023 .8603 .014 .010 .012 .016 .001 .001 .001
	Ba(1) .2494 .4880 .8786 .968 .026 .022 .019 .031 -.006 .006 -.004
	Ca(1) .2494 .4880 .8786 .032 .026 .022 .019 .031 -.006 .006 -.004
	Ba(2) .3888 .6584 .4582 .879 .024 .030 .015 .025 .001 .009 -.002
	Ca(2) .3888 .6584 .4582 .121 .024 .030 .015 .025 .001 .009 -.002
	Ca(1) .0538 .6942 .7974 .025 .030 .019 .029 -.008 .016 -.005
	P(1) .6278 .3099 .8703 .013 .007 .003 .019 .001 -.004 .000
	P(2) .6239 .6927 .8719 .014 .016 .002 .018 -.001 .001 .003
	P(3) .0352 .6885 .4729 .016 .014 .002 .021 -.002 -.003 -.001
	O(1) .2043 .5019 .6131 .019
	O(2) .4480 .5990 .6280 .025
	O(3) .4360 .3967 .6314 .033
	O(4) .0908 .4872 .4289 .034
	O(5) .1964 .3862 .7381 .021
	O(6) .7167 .5076 .7846 .034
	O(7) .5653 .5001 .9394 .022
	O(8) .6646 .2457 .8206 .013
	O(9) .1997 .6232 .7284 .025
	O(10) .6792 .7554 .8307 .016
	O(11) .5270 .6351 .8051 .020
	O(12) .8576 .4999 .9664 .021
	O(13) -.0998 .6350 .4430 .019
	O(14) .4101 .5018 .7635 .017
	O(15) .9747 .3862 .0906 .029
	O(16) .0050 .7569 .5179 .016
	O(17) .5064 .3623 .8113 .027
	O(18) .0265 .3996 .8984 .020
	Wat(19) .3159 .3322 .9160 .024
	O(20) .7534 .3692 .9070 .026
	O(21) .7463 .6389 .9280 .015
	O(22) .5912 .2769 .9389 .036
	Wat(23) .3016 .6498 .9093 .024
	O(24) .5425 .7262 .9207 .030
	O(25) .0821 .7139 .4042 .029
	O(26) .1529 .6373 .5384 .029
	Wat(27) -.2083 .6712 .7411 .054
	Wat(28) -.0199 .5349 .7490 .035
	Wat(29) -.0588 .7430 .6558 .047
	Wat(30) .2215 .8029 .7858 .041
	Wat(31) .6613 .4891 .6064 .071
	Wat(32) -.2998 .6375 .5629 .059
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