data_global
_amcsd_formula_title 'Ca O4 V2'
loop_
_publ_author_name
'Bertaut E'
'Blum P'
'Magnano G'
_journal_name_full 'Bulletin de la Societe Francaise de Mineralogie et de Cristallographie'
_journal_volume 79 
_journal_year 1956
_journal_page_first 536
_journal_page_last 561
_publ_section_title
;
 Structure des vanadite, chromite et ferrite monocalciques
 _cod_database_code 1009036
;
_database_code_amcsd 0016897
_chemical_formula_sum 'V2 Ca O4'
_cell_length_a 10.66
_cell_length_b 9.2
_cell_length_c 3.01
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 295.197
_exptl_crystal_density_diffrn      4.634
_symmetry_space_group_name_H-M 'P b n m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,y,1/2-z'
  '-x,-y,1/2+z'
  '1/2+x,1/2-y,1/2+z'
  '1/2-x,1/2+y,1/2-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
V1   0.10900   0.06800   0.25000
V2   0.60600   0.07700   0.25000
Ca1   0.35000   0.24200   0.25000
O1   0.64800   0.28900   0.25000
O2  -0.01600   0.38700   0.25000
O3   0.22500   0.47000   0.25000
O4  -0.07800   0.07100   0.25000