#------------------------------------------------------------------------------
#$Date: 2020-10-12 12:42:16 +0300 (Mon, 12 Oct 2020) $
#$Revision: 258310 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/65/9016579.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_9016579
loop_
_publ_author_name
'James, R. W.'
'Wood, W. A.'
_publ_section_title
;
 The Crystal Structures of Barytes, Celestine and Anglesite
;
_journal_coden_ASTM              PRLAAZ
_journal_name_full
'Proceedings of the Royal Society of London A'
_journal_page_first              598
_journal_page_last               620
_journal_paper_doi               10.1098/rspa.1925.0148
_journal_volume                  109
_journal_year                    1925
_chemical_formula_sum            'Ba S'
_chemical_name_mineral           Baryte
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.85
_cell_length_b                   5.43
_cell_length_c                   7.13
_cell_volume                     342.636
_database_code_amcsd             0017447
_exptl_crystal_density_diffrn    3.284
_cod_duplicate_entry             1010542
_cod_depositor_comments
;
 Copied several data items from duplicate entry 1010542 and updated
 the bibliographic information.

 Antanas Vaitkus,
 2020-10-12
;
_cod_database_code               9016579
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 x,1/2-y,z
3 -x,1/2+y,-z
4 1/2-x,1/2+y,1/2+z
5 1/2+x,1/2-y,1/2-z
6 1/2+x,y,1/2-z
7 1/2-x,-y,1/2+z
8 -x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ba1 0.31800 0.25000 0.33880
S1 0.43200 0.25000 -0.13860
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0017447
