#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/73/1537317.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_1537317
loop_
_publ_author_name
'Fuess, H.'
'Will, G.'
_publ_section_title
;
 Bestimmung der Kristallstruktur der Selenate M Se O4 (M = Mn, Co, Ni)
 durch Roentgen- und Neutronenbeugung
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              125
_journal_page_last               137
_journal_volume                  358
_journal_year                    1968
_chemical_formula_sum            'Mn O4 Se'
_chemical_name_systematic        'Mn (Se O4)'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2ab'
_symmetry_space_group_name_H-M   'P b n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   4.96
_cell_length_b                   9.219
_cell_length_c                   7.027
_cell_volume                     321.318
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Fuess_ZAACAB_1968_906.cif
_cod_data_source_block           Mn1O4Se1
_cod_original_cell_volume        321.3183
_cod_original_sg_symbol_Hall     '-P 2ac 2n (z,x,y)'
_cod_original_formula_sum        'Mn1 O4 Se1'
_cod_database_code               1537317
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x+1/2,-y+1/2,-z
-x+1/2,y+1/2,-z+1/2
-x,-y,z+1/2
-x,-y,-z
-x-1/2,y-1/2,z
x-1/2,-y-1/2,z-1/2
x,y,-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
O2 O-2 0.449 0.362 0.25 1 0.0
O3 O-2 0.327 0.126 0.062 1 0.0
Se1 Se+6 0.463 0.18 0.25 1 0.0
O1 O-2 0.781 0.129 0.25 1 0.0
Mn1 Mn+2 0 0 0 1 0.0
