#------------------------------------------------------------------------------
#$Date: 2024-04-18 17:56:43 +0200 (jue 18 de abr de 2024) $
#$Revision: 291269 $
#$URL: svn://www.crystallography.net/cod/cif/9/00/00/9000082.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_9000082
loop_
_publ_author_name
'Douglass, R. M.'
_publ_section_title
;
 The crystal structure of sanbornite, BaSi2O5
;
_journal_name_full               'American Mineralogist'
_journal_page_first              517
_journal_page_last               536
_journal_volume                  43
_journal_year                    1958
_chemical_formula_sum            'Ba O5 Si2'
_chemical_name_mineral           Sanbornite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2n 2ac'
_symmetry_space_group_name_H-M   'P c m n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.63
_cell_length_b                   7.69
_cell_length_c                   13.53
_cell_formula_units_Z            4
_cell_volume                     481.732
_database_code_amcsd             0000085
_exptl_crystal_density_diffrn    3.771
_cod_original_formula_sum        'Ba Si2 O5'
_cod_database_code               9000082
loop_
_space_group_symop_operation_xyz
x,y,z
x,1/2-y,z
-x,1/2+y,-z
1/2+x,1/2+y,1/2-z
1/2-x,1/2-y,1/2+z
1/2-x,y,1/2+z
1/2+x,-y,1/2-z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ba 0.28700 0.25000 0.04500
Si 0.36300 0.05000 0.31700
O1 0.48000 0.25000 0.34800
O2 0.14600 0.06000 0.22000
O3 0.22800 0.97000 0.41600
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0000085
