#------------------------------------------------------------------------------
#$Date: 2024-05-23 11:45:01 +0200 (Thu 23 de May de 2024) $
#$Revision: 292002 $
#$URL: svn://www.crystallography.net/cod/cif/9/01/40/9014081.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_9014081
loop_
_publ_author_name
'Abrashev, K. K.'
'Ilyukhin, V. V.'
'Belov, N. V.'
_publ_section_title
;
 Crystal structure of barylite, BaBe2Si2O7
 Coordinates of x(O2), z(O3), x(O7), z(Be1) modified acording to ICSD
;
_journal_name_full               'Soviet Physics Crystallography'
_journal_page_first              691
_journal_page_last               699
_journal_volume                  9
_journal_year                    1965
_chemical_compound_source        'Vishnevye Hills, USSR'
_chemical_formula_sum            'Ba Be2 O7 Si2'
_chemical_name_mineral           Barylite
_space_group_IT_number           33
_symmetry_space_group_name_Hall  'P -2ac -2n'
_symmetry_space_group_name_H-M   'P n 21 a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   9.79
_cell_length_b                   11.01
_cell_length_c                   4.63
_cell_formula_units_Z            4
_cell_volume                     499.058
_database_code_amcsd             0019221
_exptl_crystal_density_diffrn    4.306
_cod_original_formula_sum        'Ba Be2 Si2 O7'
_cod_database_code               9014081
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,y,1/2-z
1/2-x,1/2+y,1/2+z
-x,1/2+y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ba 0.14200 0.75000 0.25000
Bel 0.17500 0.00100 -0.25000
Be2 -0.17000 0.00500 0.25000
Si1 -0.09600 0.88000 -0.25000
Si2 0.10000 0.12500 0.25000
O1 0.07300 0.89700 0.72000
O2 0.87000 0.88500 0.13000
O3 0.18100 0.03000 0.40200
O4 -0.13000 0.75000 0.69000
O5 -0.07000 0.11000 0.21000
O6 -0.18500 -0.02500 0.59500
O7 0.11000 0.11500 0.87400
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0019221
