Lafontaine M A, LeBail A, Ferey G
Journal of Solid State Chemistry 85 (1990) 220-227
Copper-containing minerals - I. Cu3V2O7(OH)2,2H2O: The synthetic homolog
of volborthite; crystal structure determination from X-ray and neutron data;
structural correlations
Note: neutron data on a synthetic sample
10.607 5.864 7.214 90 94.88 90 C2/m
atom x y z Biso
Cu1 0 0 0 1.02
Cu2 .25 .25 0 1.02
V .9959 .5 .2516 .55
O1 0 .5 .5 1.5
O2 .3428 .5 .1095 1.5
O3 .0756 .2635 .1864 1.5
O4 .1622 .5 .8381 1.5
Ow .3223 .5 .4894 1.5
H1 .3501 .5 .2376 5.7
H2 .3536 .3714 .5639 5.7
Note: X-ray data on a synthetic sample
10.606 5.874 7.213 90 94.90 90 C2/m
Cu1 0 0 0 .69
Cu2 .25 .25 0 1.81
O1 0 .5 .5 4.27
O2 .3424 .5 .1143 1.55
O3 .0682 .2721 .1846 1.82
O4 .1548 .5 .8464 2.02
Ow .3261 .5 .4788 4.71
H .3501 .5 .2376 5.7
H .3536 .3714 .5639 5.7
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