data_global
_chemical_name_mineral 'Pseudolyonsite'
loop_
_publ_author_name
'Shannon R D'
'Calvo C'
_journal_name_full 'Canadian Journal of Chemistry'
_journal_volume 50 
_journal_year 1972
_journal_page_first 3944
_journal_page_last 3949
_publ_section_title
;
 Crystal structure of a new form of Cu3V2O8
;
_database_code_amcsd 0018360
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Cu3 V2 O8'
_cell_length_a 6.2493
_cell_length_b 7.9936
_cell_length_c 6.3776
_cell_angle_alpha 90
_cell_angle_beta 111.49
_cell_angle_gamma 90
_cell_volume 296.441
_exptl_crystal_density_diffrn      4.711
_symmetry_space_group_name_H-M 'P 1 21/c 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2-y,1/2+z'
  '-x,1/2+y,1/2-z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Cu1   0.00000   0.00000   0.00000
Cu2   0.26380   0.24540   0.39150
V1   0.25100   0.61850   0.14180
O1   0.01050   0.76220   0.03510
O2   0.23240   0.49230   0.35730
O3   0.50240   0.72610   0.23820
O4   0.75180   0.50240   0.07270
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Cu1 0.01390 0.00480 0.01310 0.00000 0.01180 0.00000
Cu2 0.01100 0.00600 0.01090 0.00050 0.00910 0.00040
V1 0.00810 0.00480 0.00720 -0.00020 0.00590 0.00000
O1 0.00930 0.00860 0.01450 -0.00100 0.00930 -0.00120
O2 0.01430 0.01000 0.01020 0.00220 0.01100 0.00290
O3 0.01210 0.01080 0.01110 -0.00300 0.00910 -0.00220
O4 0.01540 0.00690 0.00870 0.00010 0.00760 -0.00120