#------------------------------------------------------------------------------
#$Date: 2023-03-27 10:00:38 +0300 (Mon, 27 Mar 2023) $
#$Revision: 282074 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/67/9016737.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_9016737
loop_
_publ_author_name
'Lager, G. A.'
'Armbruster, T.'
'Rotella, F. J.'
'Jorgensen, J. D.'
'Hinks, D. G.'
_publ_section_title
;
 A crystallographic study of the low-temperature dehydration products of gypsum
 CaSO4*2H2O: hemihydrate CaSO4*0.50H2O, and gamma-CaSO4
 Note: gamma-CaSO4
;
_journal_name_full               'American Mineralogist'
_journal_page_first              910
_journal_page_last               918
_journal_volume                  69
_journal_year                    1984
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Ca O4 S'
_chemical_name_mineral           'Anhydrite (soluble)'
_space_group_IT_number           180
_space_group_name_Hall           'P 62 2 (0 0 4)'
_space_group_name_H-M_alt        'P 62 2 2'
_symmetry_space_group_name_H-M   'P 62 2 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   6.9694
_cell_length_b                   6.9694
_cell_length_c                   6.3033
_cell_volume                     265.149
_database_code_amcsd             0019837
_exptl_crystal_density_diffrn    2.558
_cod_data_source_file            inputs/fixed/downloads/00/00042.cif
_cod_data_source_block           00042
_cod_original_formula_sum        'Ca S O4'
_cod_database_code               9016737
loop_
_space_group_symop_operation_xyz
x,y,z
x,x-y,1/3-z
x-y,x,1/3+z
y,x,2/3-z
-y,x-y,2/3+z
-x+y,y,-z
-x,-y,z
-x,-x+y,1/3-z
-x+y,-x,1/3+z
-y,-x,2/3-z
y,-x+y,2/3+z
x-y,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Ca 0.50000 0.00000 0.00000 0.01254
S 0.50000 0.00000 0.50000 0.01482
O 0.44580 0.13470 0.35780 0.01824
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0019837
