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: theoretical study, in a triclinic setting _database_code_amcsd 0018361 7.8468 5.6213 10.18 103.61 109.71 45.74 P1 atom x y z Cu1 .7582 .8522 .9841 Cu2 .3897 .8522 .5159 Cu3 .6103 .1478 .4841 Cu4 .2419 .1478 .0159 V1 .5566 .4431 .2134 V2 .0003 .4431 .2866 V3 .4434 .5569 .7866 V4 .9997 .5569 .7134 O1 .8650 .2700 .2500 O2 .1350 .7301 .7500 O3 .3673 .8110 .1354 O4 .8218 .8110 .3646 O5 .6327 .1890 .8646 O6 .1782 .1890 .6354 O7 .5339 .1805 .1021 O8 .2856 .1805 .3979 O9 .4661 .8195 .8979 O10 .7144 .8195 .6021 O11 .4853 .5046 .3723 O12 .0101 .5046 .1277 O13 .5147 .4954 .6277 O14 .9899 .4954 .8723