data_global
_chemical_name_mineral 'Gurimite'
loop_
_publ_author_name
'Susse P'
'Buerger M J'
_journal_name_full 'Zeitschrift fur Kristallographie'
_journal_volume 131 
_journal_year 1970
_journal_page_first 161
_journal_page_last 174
_publ_section_title
;
 The structure of Ba3(VO4)2
;
_database_code_amcsd 0010708
_chemical_formula_sum 'Ba3 V2 O8'
_cell_length_a 7.837
_cell_length_b 7.837
_cell_length_c 7.837
_cell_angle_alpha 43.14
_cell_angle_beta 43.14
_cell_angle_gamma 43.14
_cell_volume 204.048
_exptl_crystal_density_diffrn      5.223
_symmetry_space_group_name_H-M 'R -3 m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-x,-z,-y'
  '-z,-x,-y'
  'y,x,z'
  'y,z,x'
  '-z,-y,-x'
  '-x,-y,-z'
  'x,z,y'
  'z,x,y'
  '-y,-x,-z'
  '-y,-z,-x'
  'z,y,x'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Bal   0.00000   0.00000   0.00000   0.02090
Ba2   0.20525   0.20525   0.20525   0.01216
V   0.40758   0.40758   0.40758   0.01798
O1   0.32780   0.32780   0.32780   0.03166
O2   0.27350   0.27350   0.75660   0.01267
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
Bal 0.01988 0.01988 0.01988 -0.00911 -0.00911 -0.00911
Ba2 0.01203 0.01203 0.01203 -0.00519 -0.00519 -0.00519
V 0.01697 0.01697 0.01697 -0.00798 -0.00798 -0.00798
O1 0.03039 0.03039 0.03039 -0.01392 -0.01392 -0.01392
O2 0.01266 0.01266 0.01140 -0.00633 -0.00506 -0.00506