#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/85/1538523.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_1538523
loop_
_publ_author_name
'Rentzeperis, P.J.'
_publ_section_title
;
 Die Kristallstruktur von wasserfreiem Mn S O4, und Bemerkungen zur
 Struktur der beiden Co S O4-Modifikationen
;
_journal_name_full
;
Neues Jahrbuch fuer Mineralogie. Monatshefte (Band=Jahr) (1950-)
;
_journal_page_first              210
_journal_page_last               215
_journal_volume                  1958
_journal_year                    1958
_chemical_formula_sum            'Mn O4 S'
_chemical_name_systematic        'Mn S O4'
_space_group_IT_number           63
_symmetry_space_group_name_Hall  '-C 2c 2'
_symmetry_space_group_name_H-M   'C m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.267
_cell_length_b                   8.046
_cell_length_c                   6.848
_cell_volume                     290.206
_citation_journal_id_ASTM        NJMMAW
_cod_data_source_file            Rentzeperis_NJMMAW_1958_1980.cif
_cod_data_source_block           Mn1O4S1
_cod_original_cell_volume        290.2065
_cod_original_formula_sum        'Mn1 O4 S1'
_cod_database_code               1538523
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z+1/2
x,-y,-z
-x,y,-z+1/2
-x,-y,-z
x,y,-z-1/2
-x,y,z
x,-y,z-1/2
x+1/2,y+1/2,z
-x+1/2,-y+1/2,z+1/2
x+1/2,-y+1/2,-z
-x+1/2,y+1/2,-z+1/2
-x+1/2,-y+1/2,-z
x+1/2,y+1/2,-z-1/2
-x+1/2,y+1/2,z
x+1/2,-y+1/2,z-1/2
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
S1 S+6 0 0.35 0.25 1 0.0
O1 O-2 0 0.25 0.058 1 0.0
Mn1 Mn+2 0 0 0 1 0.0
O2 O-2 0.25 0.469 0.25 1 0.0
