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: I
;
_database_code_amcsd 0013889
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'V2 Mg.01 O5'
_cell_length_a 11.544
_cell_length_b 4.383
_cell_length_c 3.574
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 180.835
_exptl_crystal_density_diffrn      3.345
_symmetry_space_group_name_H-M 'P m n 21'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,-y,1/2+z'
  '-x,y,z'
  '1/2-x,-y,1/2+z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
V   0.14870   0.39240   0.00000   1.00000   0.01400
Mg   0.50000   0.07700  -0.00100   0.01000   0.03200
O1   0.14610   0.03240  -0.00090   1.00000   0.02400
O2   0.31930   0.50560  -0.00320   1.00000   0.01800
O3   0.00000   0.50170  -0.00330   1.00000   0.01800
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
V 0.00400 0.02300 0.01600 -0.00100 0.00000 0.00600
O1 0.02100 0.02100 0.03000 -0.00200 0.00900 0.02300
O2 0.00700 0.03300 0.01500 -0.00300 0.00400 -0.02300
O3 0.00800 0.02800 0.01900 0.00000 0.00000 0.01100