#------------------------------------------------------------------------------
#$Date: 2023-03-27 09:00:38 +0200 (Mon 27 de Mar de 2023) $
#$Revision: 282074 $
#$URL: svn://www.crystallography.net/cod/cif/9/01/73/9017348.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_9017348
loop_
_publ_author_name
'Soleimannejad, J.'
'Aghabozorg, H.'
'Hooshmand, S.'
'Ghadermaz, M.'
'Gharamaleki, J. A.'
_publ_section_title
;
 The monoclinic polymorph of catena-poly [[diaquamanganese(II)]-mu-oxalato-4O1,O2:O1',O2']
;
_journal_name_full               'Acta Crystallographica, Section E'
_journal_page_first              m2389
_journal_page_last               m2390
_journal_volume                  63
_journal_year                    2007
_chemical_compound_source        Synthetic
_chemical_formula_sum            'C2 H4 Mn O6'
_chemical_name_mineral           Lindbergite
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 125.843
_cell_angle_gamma                90
_cell_length_a                   11.7648
_cell_length_b                   5.6440
_cell_length_c                   9.6367
_cell_volume                     518.704
_database_code_amcsd             0019963
_exptl_crystal_density_diffrn    2.292
_cod_data_source_file            inputs/fixed/downloads/12/12176.cif
_cod_data_source_block           12176
_cod_original_formula_sum        'Mn C2 O6 H4'
_cod_database_code               9017348
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,z
x,-y,1/2+z
1/2+x,1/2-y,1/2+z
-x,y,1/2-z
1/2-x,1/2+y,1/2-z
-x,-y,-z
1/2-x,1/2-y,-z
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Mn 0.01051 0.00518 0.00806 0.00000 0.00461 0.00000
C 0.00800 0.01010 0.00700 0.00010 0.00440 0.00010
O1 0.01240 0.00670 0.00850 0.00030 0.00430 0.00070
O2 0.01240 0.00650 0.00800 -0.00050 0.00470 -0.00060
O3 0.01210 0.01210 0.00860 0.00050 0.00490 -0.00090
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Mn 0.50000 0.56903 0.75000 0.00841
C 0.55073 0.07019 0.85025 0.00840
O1 0.58713 0.87221 0.92326 0.01030
O2 0.58807 0.26771 0.92238 0.00973
O3 0.31804 0.56581 0.75879 0.01160
H1 0.23460 0.61370 0.65320 0.01400
H2 0.33040 0.65690 0.84950 0.01400
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0019963
