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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/76/1527676.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_1527676
loop_
_publ_author_name
'Koskenlinna, M.'
'Valkonen, J.'
_publ_section_title
;
 The crystal structure of manganese(II) selenite monodeuterate
;
_journal_name_full
'Acta Chemica Scandinavica, Series A: (28,1974-)'
_journal_page_first              752
_journal_page_last               754
_journal_volume                  31
_journal_year                    1977
_chemical_formula_sum            'D2 Mn O4 Se'
_chemical_name_systematic        'Mn (Se O3) (D2 O)'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.179
_cell_length_b                   5.826
_cell_length_c                   4.933
_cell_volume                     378.760
_citation_journal_id_ASTM        ACAPCT
_cod_data_source_file            Koskenlinna_ACAPCT_1977_790.cif
_cod_data_source_block           D2Mn1O4Se1
_cod_original_cell_volume        378.76
_cod_original_formula_sum        'D2 Mn1 O4 Se1'
_cod_database_code               1527676
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z+1/2
-x,y+1/2,-z
-x,-y,-z
x-1/2,y,-z-1/2
-x-1/2,y-1/2,z-1/2
x,-y-1/2,z
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
Se1 Se+4 0.4018 0.75 0.0247 1 0.0
O2 O-2 0.1671 0.0303 0.3824 1 0.0
O1 O-2 0.3632 0.75 0.3489 1 0.0
Mn1 Mn+2 0.7683 0.25 0.3985 1 0.0
O3 O-2 0.8908 0.25 0.0918 1 0.0
