#------------------------------------------------------------------------------
#$Date: 2016-02-16 14:49:47 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176465 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/54/9015436.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_9015436
loop_
_publ_author_name
'Gallitelli, P.'
_publ_section_title
;
 Ricerche sul solfato di calcio semidrato e sull'anidrite solubile
 _cod_database_code 1010918
;
_journal_name_full               'Periodico di Mineralogia'
_journal_page_first              132
_journal_page_last               171
_journal_volume                  4
_journal_year                    1933
_chemical_formula_sum            'Ca4 O9 S2'
_chemical_name_mineral           Bassanite
_space_group_IT_number           154
_symmetry_space_group_name_Hall  'P 32 2"'
_symmetry_space_group_name_H-M   'P 32 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   6.86
_cell_length_b                   6.86
_cell_length_c                   12.7
_cell_volume                     517.586
_database_code_amcsd             0017644
_exptl_crystal_density_diffrn    3.546
_cod_original_formula_sum        'Ca4 S2 O9'
_cod_database_code               9015436
loop_
_space_group_symop_operation_xyz
x,y,z
y,x,-z
-y,x-y,2/3+z
-x,-x+y,2/3-z
-x+y,-x,1/3+z
x-y,-y,1/3-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ca1 0.00000 0.45000 0.66667
Ca2 0.00000 0.45000 0.16667
S1 0.45000 0.00000 0.25000
O1 0.34400 0.10500 0.31700
O2 0.55500 -0.10500 0.31700
O3 0.27100 -0.17900 0.18200
O4 0.62800 0.17900 0.18200
O5 0.00000 0.00000 0.16667