data_9008001
_publ_section_title
;
 Calcium chlorite, Ca(ClO2)2, from X-ray powder diffraction data
;
_journal_name_full               'Acta Crystallographica, Section E'
_journal_page_first              i246
_journal_page_last               i248
_journal_paper_doi               10.1107/S160053680503415X
_journal_volume                  61
_journal_year                    2005
_chemical_formula_structural     Ca(ClO2)2
_chemical_formula_sum            'Ca Cl2 O2'
_space_group_IT_number           68
_symmetry_space_group_name_Hall  'C 2 2 -1ac'
_symmetry_space_group_name_H-M   'C c c b :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.7434
_cell_length_b                   12.6002
_cell_length_c                   5.7405
_cell_volume                     415.428
_exptl_crystal_density_diffrn    4.572
_[local]_cod_cif_authors_sg_H-M  'C c c a'
_cod_database_code               9008001
loop_
_symmetry_equiv_pos_as_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
