Ziesite
	Yashima M, Suzuki R O
	Physical Review B79 (2009) 125201-6
	Electronic structure and magnetic properties of monoclinic beta-Cu2V2O7:
	A GGA+U study
	Note: this is a modification of the monoclinic structure from the
	Calvo & Faggiani (1975) paper, in the triclinic setting
	Locality: synthetic
	_database_code_amcsd 0018362
	7.687 5.54982 10.09 104 110.45 46.17 P1
	atom x y z
	Cu1 .7638 .8528 .9860
	Cu2 .3834 .8528 .5140
	Cu3 .6166 .1472 .4860
	Cu4 .2362 .1472 .0140
	V1 .5641 .4438 .2130
	V2 .9921 .4438 .2870
	V3 .4359 .5562 .7870
	V4 .0079 .5562 .7130
	O1 .8646 .2708 .2500
	O2 .1354 .7292 .7500
	O3 .3631 .8058 .1338
	O4 .8311 .8058 .3662
	O5 .6369 .1942 .8662
	O6 .1689 .1942 .6338
	O7 .5344 .1762 .1024
	O8 .2894 .1762 .3976
	O9 .4656 .8238 .8976
	O10 .7106 .8238 .6024
	O11 .4846 .5024 .3709
	O12 .0130 .5024 .1291
	O13 .5154 .4976 .6291
	O14 .9870 .4976 .8709
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