data_global
_chemical_name_mineral 'Erythrosiderite'
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 1006098
;
_database_code_amcsd 0013271
_chemical_formula_sum 'K2 Fe Cl5 O H2'
_cell_length_a 13.5795
_cell_length_b 9.7024
_cell_length_c 7.0147
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 924.213
_exptl_crystal_density_diffrn      2.367
_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   0.35468   0.49882   0.14650
Fe1   0.11457   0.25000   0.19024
Cl1   0.25019   0.25000   0.39230
Cl2   0.21790   0.25000  -0.07940
Cl3   0.00597   0.25000   0.45870
Cl4   0.10493   0.49374   0.18090
O1   0.00640   0.25000   0.00890
H1  -0.00440   0.31260  -0.03720
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
K1 0.04000 0.03780 0.04120 0.00010 0.00630 0.00000
Fe1 0.01915 0.01802 0.02097 0.00000 -0.00340 0.00000
Cl1 0.02380 0.03140 0.02410 0.00000 -0.00620 0.00000
Cl2 0.04510 0.04650 0.02240 0.00000 0.00690 0.00000
Cl3 0.02940 0.03830 0.03760 0.00000 0.01200 0.00000
Cl4 0.04090 0.01760 0.04480 -0.00030 -0.01390 0.00000
O1 0.02900 0.02100 0.05400 0.00000 -0.02600 0.00000