data_global
_amcsd_formula_title 'MnCl2*2(H2O)'
loop_
_publ_author_name
'Morosin B'
'Graeber E J'
_journal_name_full 'Journal of Chemical Physics'
_journal_volume 42 
_journal_year 1965
_journal_page_first 898
_journal_page_last 901
_publ_section_title
;
 Crystal structures of manganese(II) and iron(II) chloride dihydrate
;
_database_code_amcsd 0012974
_chemical_formula_sum 'Mn Cl2 O2 H4'
_cell_length_a 7.409
_cell_length_b 8.800
_cell_length_c 3.691
_cell_angle_alpha 90
_cell_angle_beta 98.67
_cell_angle_gamma 90
_cell_volume 237.900
_exptl_crystal_density_diffrn      2.260
_symmetry_space_group_name_H-M 'C 1 2/m 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  'x,-y,z'
  '1/2+x,1/2-y,z'
  '-x,y,-z'
  '1/2-x,1/2+y,-z'
  '-x,-y,-z'
  '1/2-x,1/2-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Mn   0.00000   0.00000   0.00000 ?
Cl   0.24089   0.00000   0.55850 ?
O   0.00000   0.24432   0.00000 ?
H   0.08630   0.30310   0.09800   0.05193
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
Mn 0.02843 0.02592 0.02725 0.00000 0.00338 0.00000
Cl 0.02226 0.03742 0.02532 0.00000 0.00343 0.00000
O 0.04547 0.02444 0.04066 0.00000 -0.01488 0.00000