data_global
_amcsd_formula_title 'Cl5 D2 Fe K2 O'
loop_
_publ_author_name
'Gabas M'
'Palacio F'
'Rodriguez-Carvajal J'
'Visser D'
_journal_name_full 'Journal of Physics: Condensed Matter'
_journal_volume 7 
_journal_year 1995
_journal_page_first 4725
_journal_page_last 4738
_publ_section_title
;
 Magnetic structures of the three-dimensional Heisenberg
 antiferromagnets K2FeCl5*(D2O) and Rb2FeCl5*(D2O)
 _cod_database_code 1006099
;
_database_code_amcsd 0013272
_chemical_formula_sum 'K2 Fe Cl5 O D2'
_cell_length_a 13.5862
_cell_length_b 9.7087
_cell_length_c 7.0177
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 925.665
_exptl_crystal_density_diffrn      2.378
_symmetry_space_group_name_H-M 'P n m a'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2-y,z'
  '-x,1/2+y,-z'
  '1/2-x,1/2+y,1/2+z'
  '1/2+x,1/2-y,1/2-z'
  '1/2+x,y,1/2-z'
  '1/2-x,-y,1/2+z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
K1   0.35020   0.51250   0.13570
Fe1   0.11500   0.25000   0.19170
Cl1   0.24660   0.25000   0.38700
Cl2   0.22130   0.25000  -0.08470
Cl3   0.00420   0.25000   0.45120
Cl4   0.10605   0.49070   0.17850
O1  -0.00630   0.25000   0.01510
D1  -0.03720   0.33150  -0.04500