data_global
_amcsd_formula_title 'Ca(ClO2)2'
loop_
_publ_author_name
'Smolentsev A I'
'Naumov D Y'
_journal_name_full 'Acta Crystallographica, Section E'
_journal_volume 61 
_journal_year 2005
_journal_page_first i246
_journal_page_last i248
_publ_section_title
;
 Calcium chlorite, Ca(ClO2)2, from X-ray powder diffraction data
;
_database_code_amcsd 0010462
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Ca Cl2 O2'
_cell_length_a 5.7434
_cell_length_b 12.6002
_cell_length_c 5.7405
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 415.428
_exptl_crystal_density_diffrn      4.572
_symmetry_space_group_name_H-M 'C c c a'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  'x,1/2-y,1/2+z'
  '1/2+x,-y,1/2+z'
  '-x,y,-z'
  '1/2-x,1/2+y,-z'
  '-x,1/2+y,1/2+z'
  '1/2-x,+y,1/2+z'
  'x,-y,-z'
  '1/2+x,1/2-y,-z'
  'x,1/2+y,1/2-z'
  '1/2+x,+y,1/2-z'
  '-x,-y,z'
  '1/2-x,1/2-y,z'
  '-x,1/2-y,1/2-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_U_iso_or_equiv
Ca   0.00000   0.25000   0.25000   0.00540
Cl   0.50000   0.08227   0.25000   0.01720
O   0.33370   0.14953   0.08650   0.03210