#------------------------------------------------------------------------------
#$Date: 2024-05-02 13:48:35 +0300 (Thu, 02 May 2024) $
#$Revision: 291455 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/82/9008272.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_9008272
loop_
_publ_author_name
'Mosset, A.'
'Bonnet, J. J.'
'Galy, J.'
_publ_section_title
;
 Structure cristalline de la chalconatronite synthetique: Na2Cu(CO3)2*3H2O
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              165
_journal_page_last               177
_journal_volume                  148
_journal_year                    1978
_chemical_compound_source        Synthetic
_chemical_formula_sum            'C2 H2 Cu Na2 O9'
_chemical_name_mineral           Chalconatronite
_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                 91.83
_cell_angle_gamma                90
_cell_length_a                   9.696
_cell_length_b                   6.101
_cell_length_c                   13.779
_cell_formula_units_Z            4
_cell_volume                     814.685
_database_code_amcsd             0010801
_exptl_crystal_density_diffrn    2.279
_cod_original_formula_sum        'Na2 Cu C2 O9 H2'
_cod_database_code               9008272
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2-y,1/2+z
1/2-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
Na1 0.66450 0.76330 0.20140 ?
Na2 0.60630 0.52230 0.40180 ?
Cu 0.12300 0.99013 0.31960 ?
C1 -0.07670 0.75960 0.32820 ?
C2 0.38220 0.84740 0.32480 ?
O1 0.03270 0.73800 0.38640 ?
O2 -0.18110 0.63980 0.33220 ?
O3 -0.06470 0.91770 0.26640 ?
O4 0.31320 0.72100 0.26550 ?
O5 0.51220 0.84650 0.33200 ?
O6 0.30940 0.97490 0.37830 ?
O7 0.03040 -0.73160 0.41830 ?
O8 0.32010 0.84550 0.57940 ?
O9 0.13060 0.89730 0.06870 ?
H1 0.00000 0.24000 0.48000 0.02482
H2 0.02000 0.44000 0.42000 0.02482
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0010801
