data_global
_chemical_name_mineral 'Shcherbinaite'
loop_
_publ_author_name
'Shklover V'
'Haibach T'
'Ried F'
'Nesper R'
'Novak P'
_journal_name_full 'Journal of Solid State Chemistry'
_journal_volume 123 
_journal_year 1996
_journal_page_first 317
_journal_page_last 323
_publ_section_title
;
 Crystal structure of the product of Mg2+ insertion into V2O5 single crystals
 Sample: IIb
;
_database_code_amcsd 0013891
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'V2 O5'
_cell_length_a 11.544
_cell_length_b 3.571
_cell_length_c 4.383
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 180.683
_exptl_crystal_density_diffrn      3.343
_symmetry_space_group_name_H-M 'P m m n'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2-y,z'
  '-x,1/2+y,-z'
  '1/2-x,y,z'
  '1/2+x,-y,-z'
  '1/2+x,1/2+y,-z'
  '1/2-x,1/2-y,z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
V   0.60123   0.25000   0.10860   0.00750
O1   0.43090   0.25000  -0.00280   0.00990
O2   0.60450   0.25000   0.46970   0.01740
O3   0.75000   0.25000   0.00080   0.01270