data_global
_chemical_name_mineral 'Chromatite'
loop_
_publ_author_name
'Clouse J'
_journal_name_full 'Zeitschrift fur Kristallographie'
_journal_volume 83 
_journal_year 1932
_journal_page_first 161
_journal_page_last 171
_publ_section_title
;
 Investigations on the X-Ray Crystal Structures of Ca Cr O4, Ca Cr O4 *
 H2 O and Ca Cr O4 * (H2 O)2
 _cod_database_code 1010939
;
_database_code_amcsd 0017660
_chemical_formula_sum 'Ca Cr O4'
_cell_length_a 7.25
_cell_length_b 7.25
_cell_length_c 6.34
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 333.246
_exptl_crystal_density_diffrn      3.111
_symmetry_space_group_name_H-M 'I 41/a m d'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,1/2+z'
  '-y,1/2-x,1/4+z'
  '1/2-y,-x,3/4+z'
  '1/2+y,1/2+x,1/2-z'
  '+y,+x,-z'
  '1/2+y,1/2-x,1/2-z'
  '+y,-x,-z'
  '-y,1/2+x,1/4+z'
  '1/2-y,+x,3/4+z'
  '1/2+x,1/2-y,1/2+z'
  '+x,-y,+z'
  '1/2-x,y,3/4-z'
  '-x,1/2+y,1/4-z'
  '1/2+x,y,3/4-z'
  '+x,1/2+y,1/4-z'
  '1/2-x,1/2-y,1/2+z'
  '-x,-y,+z'
  '1/2+y,x,3/4+z'
  '+y,1/2+x,1/4+z'
  '-y,-x,-z'
  '1/2-y,1/2-x,1/2-z'
  '-y,x,-z'
  '1/2-y,1/2+x,1/2-z'
  '1/2+y,-x,3/4+z'
  '+y,1/2-x,1/4+z'
  '-x,y,z'
  '1/2-x,1/2+y,1/2+z'
  'x,1/2-y,1/4-z'
  '1/2+x,-y,3/4-z'
  '-x,1/2-y,1/4-z'
  '1/2-x,-y,3/4-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ca1   0.00000   0.00000   0.00000
Cr1   0.00000   0.00000   0.50000
O1   0.00000   0.17000   0.34000