#------------------------------------------------------------------------------
#$Date: 2015-09-18 01:23:57 +0200 (vie 18 de sep de 2015) $
#$Revision: 157337 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/17/1531779.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_1531779
loop_
_publ_author_name
'Lethbridge, Z.A.D.'
'Esslemont, E.'
'Congreve, A.F.'
'Slawin, A.M.Z.'
'Lightfoot, P.'
_publ_section_title
;
 Synthesis and structure of three manganese oxalates: Mn C2 O4 * 2(H2 O),
 (C4 H8 (N H2)2) (Mn2 (C2 O4)3) and Mn2 (C2 O4) (O H)2
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              212
_journal_page_last               218
_journal_volume                  172
_journal_year                    2003
_chemical_formula_sum            'C2 H2 Mn2 O6'
_chemical_name_systematic        'Mn2 (C2 O4) (O H)2'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 91.1
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.926
_cell_length_b                   5.695
_cell_length_c                   7.494
_cell_volume                     252.865
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Lethbridge_JSSCBI_2003_1529.cif
_cod_data_source_block           C2H2Mn2O6
_cod_original_cell_volume        252.8652
_cod_database_code               1531779
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z+1/2
-x,-y,-z
x,-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
C1 C+3 0.926 0.092 0.456 1 0.0
O1 O-2 0.717 0.065 0.461 1 0.0
O3 O-2 0.614 0.569 0.345 1 0.0
Mn1 Mn+2 0.4062 0.265 0.3945 1 0.0
O2 O-2 0.02 0.267 0.382 1 0.0
