data_global
_amcsd_formula_title 'KCrO3Cl'
loop_
_publ_author_name
'Kolitsch U'
_journal_name_full 'Acta Crystallographica, Section E'
_journal_volume 58 
_journal_year 2002
_journal_page_first i105
_journal_page_last i107
_publ_section_title
;
 Redetermination of potassium chlorochromate, KCrO3Cl
;
_database_code_amcsd 0010390
_chemical_formula_sum 'K Cr Cl O3'
_cell_length_a 7.838
_cell_length_b 7.4930
_cell_length_c 7.812
_cell_angle_alpha 90
_cell_angle_beta 91.40
_cell_angle_gamma 90
_cell_volume 458.663
_exptl_crystal_density_diffrn      2.528
_symmetry_space_group_name_H-M 'P 1 21/c 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2-y,1/2+z'
  '-x,1/2+y,1/2-z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
K   0.30127   0.63961   0.86872   0.03601
Cr   0.28241   0.12435   0.87486   0.02481
Cl   0.04765   0.28306   0.85952   0.04060
O1   0.43660   0.26260   0.89060   0.04790
O2   0.29650   0.00720   0.70490   0.04570
O3   0.27640  -0.00520   0.03740   0.04930
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
K 0.04890 0.03030 0.02870 -0.00190 -0.00290 -0.00078
Cr 0.02560 0.02360 0.02520 -0.00018 0.00016 -0.00001
Cl 0.03090 0.04160 0.04910 0.00690 -0.00010 -0.00040
O1 0.03420 0.03670 0.07240 -0.00820 -0.00480 -0.00260
O2 0.05010 0.04800 0.03880 0.01060 -0.00100 -0.01460
O3 0.05300 0.05190 0.04350 0.01190 0.00960 0.01950