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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/75/1537545.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_1537545
loop_
_publ_author_name
'Koskenlinna, M.'
'Niinisto, L.'
'Valkonen, J.'
_publ_section_title
;
 The crystal structure of manganese(II) diselenite
;
_journal_name_full
'Acta Chemica Scandinavica, Series A: (28,1974-)'
_journal_page_first              836
_journal_page_last               837
_journal_volume                  30
_journal_year                    1976
_chemical_formula_sum            'Mn O5 Se2'
_chemical_name_systematic        'Mn (Se2 O5)'
_space_group_IT_number           60
_symmetry_space_group_name_Hall  '-P 2n 2ab'
_symmetry_space_group_name_H-M   'P b c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.797
_cell_length_b                   10.617
_cell_length_c                   6.3
_cell_volume                     454.632
_citation_journal_id_ASTM        ACAPCT
_cod_data_source_file            Koskenlinna_ACAPCT_1976_1935.cif
_cod_data_source_block           Mn1O5Se2
_cod_original_cell_volume        454.6316
_cod_original_formula_sum        'Mn1 O5 Se2'
_cod_database_code               1537545
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y+1/2,z+1/2
x+1/2,-y+1/2,-z
-x,y,-z+1/2
-x,-y,-z
x-1/2,y-1/2,-z-1/2
-x-1/2,y-1/2,z
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
O1 O-2 0.3324 0.4317 0.0479 1 0.0
Se1 Se+4 0.3717 0.1556 0.5386 1 0.0
O2 O-2 0.3045 0.7133 0.1558 1 0.0
O3 O-2 0.5 0.9283 0.25 1 0.0
Mn1 Mn+2 0.5 0.558 0.25 1 0.0
