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#$Date: 2010-01-30 15:59:17 +0200 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1011041.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1011041
_chemical_name_systematic          'Dipotassium manganese sulfate tetrahydrate'
_chemical_name_mineral             'Leonite (M'
_chemical_compound_source          'containing) - synthetic from solution'
_chemical_formula_structural       'K2 Mn (S O4)2 (H2 O)4'
_chemical_formula_sum              'H8 K2 Mn O12 S2'
_publ_section_title                'Die Struktur des Mn-Leonit'
loop_
_publ_author_name                  'Anspach, H'
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik,
Kristallchemie (-144,1977)
;
_journal_coden_ASTM                ZEKGAX
_journal_volume                    101
_journal_year                      1939
_journal_page_first                39
_journal_page_last                 77
_cell_length_a                     11.986
_cell_length_b                     9.57
_cell_length_c                     9.95
_cell_angle_alpha                  90
_cell_angle_beta                   85
_cell_angle_gamma                  90
_cell_volume                       1137.0
_cell_formula_units_Z              4
_exptl_crystal_density_meas        2.31(0)
_symmetry_space_group_name_H-M     'C 1 2/m 1'
_symmetry_Int_Tables_number        12
_symmetry_cell_setting             monoclinic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  'x,-y,z'
  '-x,-y,-z'
  '-x,y,-z'
  '1/2+x,1/2+y,z'
  '1/2+x,1/2-y,z'
  '1/2-x,1/2-y,-z'
  '1/2-x,1/2+y,-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Mn2+   2.000
  K1+    1.000
  S6+    6.000
  O2-   -2.000
  H1+    1.000
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
  Mn1   Mn2+   2 a 0. 0. 0. 1.  0 d
  Mn2   Mn2+   2 d 0. 0.5 0.5 1.  0 d
  K1    K1+    4 i 0.306 0. 0.075 1.  0 d
  K2    K1+    4 i 0.18 0. 0.6 1.  0 d
  S1    S6+    8 j 0.166 0.25 0.25 1.  0 d
  O1    O2-    8 j 0.166 0.34 0.125 1.  0 d
  O2    O2-    8 j 0.166 0.34 0.375 1.  0 d
  O3    O2-    8 j 0.063 0.16 0.27 1.  0 d
  O4    O2-    8 j 0.284 0.16 0.25 1.  0 d
  O5    O2-    8 j 0.104 0.2 -0.028 1.  2 d
  O6    O2-    8 j 0.415 0.2 0.445 1.  2 d
  H1    H1+    8 j -1. -1. -1. 4.  0 dum
_cod_database_code 1011041