data_global
_amcsd_formula_title 'Ca3(VO4)2'
loop_
_publ_author_name
'Grzechnik A'
_journal_name_full 'Solid State Sciences'
_journal_volume 4 
_journal_year 2002
_journal_page_first 523
_journal_page_last 524
_publ_section_title
;
 Crystal structure of Ca3(VO4)2 synthesized at 11 GPa and 1373 K
;
_database_code_amcsd 0019756
_chemical_compound_source 'synthetic at 11 GPa and 1373 K'
_chemical_formula_sum 'Ca3 V2 O8'
_cell_length_a 9.6715
_cell_length_b 5.43276
_cell_length_c 7.0713
_cell_angle_alpha 90
_cell_angle_beta 116.949
_cell_angle_gamma 90
_cell_volume 331.201
_exptl_crystal_density_diffrn      3.511
_symmetry_space_group_name_H-M 'C 1 2/m 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  'x,-y,z'
  '1/2+x,1/2-y,z'
  '-x,y,-z'
  '1/2-x,1/2+y,-z'
  '-x,-y,-z'
  '1/2-x,1/2-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ca1   0.00000   0.00000   0.00000
Ca2   0.79970   0.00000   0.40020
V   0.59260   0.00000   0.78200
O1   0.73400   0.00000   0.70700
O2   0.67400   0.00000   0.04200
O3   0.51770   0.26900   0.30580