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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/1/52/76/1527675.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_1527675
loop_
_publ_author_name
'Koskenlinna, M.'
'Valkonen, J.'
_publ_section_title
;
 Crystal structure of manganese(III) hydrogen selenite diselenite, Mn H
 (Se O3) (Se2 O5)
;
_journal_name_full
'Acta Chemica Scandinavica, Series A: (28,1974-)'
_journal_page_first              638
_journal_page_last               640
_journal_volume                  31
_journal_year                    1977
_chemical_formula_sum            'H Mn O8 Se3'
_chemical_name_systematic        'Mn H (Se O3) (Se2 O5)'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 92.82
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.451
_cell_length_b                   12.583
_cell_length_c                   7.575
_cell_volume                     709.341
_citation_journal_id_ASTM        ACAPCT
_cod_data_source_file            Koskenlinna_ACAPCT_1977_788.cif
_cod_data_source_block           H1Mn1O8Se3
_cod_original_cell_volume        709.3412
_cod_original_sg_symbol_Hall     '-P 2ybc (x-z,y,z)'
_cod_original_formula_sum        'H1 Mn1 O8 Se3'
_cod_database_code               1527675
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,y+1/2,-z+1/2
-x,-y,-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
Se3 Se+4 0.7258 0.5148 0.4281 1 0.0
O6 O-2 0.6099 0.404 0.4583 1 0.0
O4 O-2 0.6222 0.7603 0.451 1 0.0
Se2 Se+4 0.0668 0.633 0.0677 1 0.0
O8 O-2 0.5384 0.193 0.2511 1 0.0
Se1 Se+4 0.052 0.7988 0.3869 1 0.0
O3 O-2 0.2667 0.597 0.1577 1 0.0
Mn1 Mn+3 0.4387 0.6792 0.3055 1 0.0
O7 O-2 0.6001 0.9606 0.1963 1 0.0
O2 O-2 0.2742 0.793 0.344 1 0.0
O1 O-2 0.5337 0.7647 0.078 1 0.0
O5 O-2 0.8891 0.072 0.2466 1 0.0
