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#$Date: 2024-05-23 12:45:01 +0300 (Thu, 23 May 2024) $
#$Revision: 292002 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/40/9014021.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_9014021
loop_
_publ_author_name
'Romero, S.'
'Mosset, A.'
'Trombe, J.'
_publ_section_title
;
 Two new families of lanthanide mixed-ligand complexes, oxalate-carbonate and
 oxalate-formate: synthesis and and structure of (Ce(H2O))2(C2O4)2(CO3)*2.5H2O
 _cod_database_code 1008973
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              256
_journal_page_last               266
_journal_paper_doi               10.1006/jssc.1996.0382
_journal_volume                  127
_journal_year                    1996
_chemical_formula_sum            'C3 Ce O6'
_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_length_a                   7.322
_cell_length_b                   10.825
_cell_length_c                   6.738
_cell_formula_units_Z            4
_cell_volume                     534.058
_database_code_amcsd             0016836
_exptl_crystal_density_diffrn    3.385
_cod_duplicate_entry             1008973
_cod_original_formula_sum        'Ce O6 C3'
_cod_database_code               9014021
_amcsd_formula_title             'Ce H O6'
loop_
_space_group_symop_operation_xyz
x,y,z
x,1/2-y,z
-x,1/2+y,-z
1/2-x,1/2+y,1/2+z
1/2+x,1/2-y,1/2-z
1/2+x,y,1/2-z
1/2-x,-y,1/2+z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ce1 0.21001 0.25000 0.12921
O1 0.04540 0.25000 0.46520
O2 0.05270 0.25000 0.79250
O3 0.42070 0.37810 0.35510
O4 0.26990 0.53970 0.47660
C1 0.12370 0.25000 0.62800
C2 0.40920 0.47790 0.45360
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0016836
