#------------------------------------------------------------------------------
#$Date: 2013-03-28 18:17:04 +0200 (Thu, 28 Mar 2013) $
#$Revision: 77586 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/26/9012612.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_9012612
loop_
_publ_author_name
'Osaki, K.'
'Nakai, Y.'
'Watanabe, T.'
_publ_section_title
;
 The crystal structure of magnesium formate dihydrate and manganous formate
 dihydrate
;
_journal_name_full               'Journal of the Physical Society of Japan'
_journal_page_first              717
_journal_page_last               723
_journal_volume                  19
_journal_year                    1964
_chemical_formula_structural     Mn(HCOO)2*2H2O
_chemical_formula_sum            'C2 H4 Mn O6'
_chemical_name_mineral           Mn(HCOO)2*2H2O
_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                 97.7
_cell_angle_gamma                90
_cell_length_a                   8.86
_cell_length_b                   7.29
_cell_length_c                   9.60
_cell_volume                     614.467
_exptl_crystal_density_diffrn    1.935
_[local]_cod_chemical_formula_sum_orig 'Mn C2 O6 H4'
_cod_database_code               9012612
_amcsd_database_code             AMCSD#0013433
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x,1/2-y,1/2+z
-x,1/2+y,1/2-z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Mn1 0.00000 0.00000 0.00000 0.01456
Mn2 0.50000 0.50000 0.00000 0.01646
C1 0.03800 0.22000 0.27400 0.02596
C2 0.32800 0.62100 0.43300 0.02280
O1 0.09600 0.10200 0.20400 0.02280
O2 0.08400 0.26600 0.39800 0.02090
O3 0.43900 0.72300 0.42000 0.02850
O4 0.21300 0.65600 0.49400 0.01900
Wat1 0.26700 0.48500 0.06600 0.02216
Wat2 0.41000 0.10700 0.29600 0.03040