#------------------------------------------------------------------------------
#$Date: 2024-05-23 12:45:01 +0300 (Thu, 23 May 2024) $
#$Revision: 292002 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/43/9014352.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_9014352
loop_
_publ_author_name
'Cocco, G.'
'Corazza, E.'
'Sabelli, C.'
_publ_section_title
;
 The crystal structure of glauberite, CaNa2(SO4)2
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              175
_journal_page_last               184
_journal_volume                  122
_journal_year                    1965
_chemical_compound_source        'Chinchon (Madrid), Spain'
_chemical_formula_sum            'Ca Na2 O8 S2'
_chemical_name_mineral           Glauberite
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 112.333
_cell_angle_gamma                90
_cell_length_a                   10.158
_cell_length_b                   8.333
_cell_length_c                   8.551
_cell_formula_units_Z            4
_cell_volume                     669.521
_database_code_amcsd             0018655
_exptl_crystal_density_diffrn    2.760
_cod_original_formula_sum        'Na2 Ca S2 O8'
_cod_database_code               9014352
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_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Na 0.36210 0.05500 0.05970 0.02064
Ca 0.00000 0.06400 0.25000 0.00697
S 0.31530 0.28580 0.31260 0.00697
O1 0.16180 0.27430 0.27350 0.00532
O2 0.33710 0.33790 0.15790 0.00608
O3 0.38430 0.13050 0.36440 0.00937
O4 0.37410 0.41220 0.44110 0.01026
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0018655
