#------------------------------------------------------------------------------
#$Date$
#$Revision$
#$URL$
#------------------------------------------------------------------------------
#
# 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_9011102
loop_
_publ_author_name
'Taga, T.'
_publ_section_title
;
 Crystal structure of Na2CO3*10H2O
 Locality: synthetic
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              2656
_journal_page_last               2657
_journal_volume                  25
_journal_year                    1969
_chemical_formula_sum            'C H20 Na2 O13'
_[local]_cod_chemical_formula_sum_orig 'C1 H20 Na2 O13'
_chemical_name_mineral           Natron
_space_group_IT_number           9
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 1'
_cell_angle_alpha                90
_cell_angle_beta                 123.0
_cell_angle_gamma                90
_cell_length_a                   12.83
_cell_length_b                   9.026
_cell_length_c                   13.44
_cell_volume                     1305.307
_[local]_cod_data_source_file    08667.cif
_[local]_cod_data_source_block   global
loop_
_symmetry_equiv_pos_as_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
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Na1 0.24000 0.22500 0.12800 1.00000 0.02153
Na2 0.25200 0.27000 -0.12800 1.00000 0.02406
C 0.25000 0.75400 0.00000 1.00000 0.01267
O11* 0.26600 0.71800 0.09700 0.50000 0.04433
O12* 0.34400 0.79300 -0.00300 0.50000 0.03166
O13* 0.13900 0.79400 -0.09600 0.50000 0.02533
O11* 0.25300 0.83400 -0.07300 0.50000 0.05826
O12* 0.15100 0.67500 -0.00100 0.50000 0.04813
O13* 0.33600 0.80900 0.09300 0.50000 0.05193
Wat1 0.12500 -0.01200 0.09100 1.00000 0.03800
Wat2 0.37600 -0.44000 0.20800 1.00000 0.02533
Wat3 0.09300 0.31200 0.17500 1.00000 0.02153
Wat4 0.37400 0.12100 0.32200 1.00000 0.02280
Wat5 0.13900 0.37400 -0.05800 1.00000 0.02786
Wat6 0.35500 0.12500 0.04700 1.00000 0.02533
Wat7 0.12800 0.04900 -0.21500 1.00000 0.03166
Wat8 0.37200 0.50200 -0.08000 1.00000 0.03040
Wat9 0.12000 0.37600 -0.33200 1.00000 0.03420
Wat10 0.39900 0.18700 -0.18600 1.00000 0.03420