#------------------------------------------------------------------------------
#$Date: 2024-05-29 17:00:33 +0300 (Wed, 29 May 2024) $
#$Revision: 292100 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/70/9017022.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_9017022
loop_
_publ_author_name
'Matsui, M.'
'Sato, T.'
'Funamori, N.'
_publ_section_title
;
 Crystal structures and stabilities of cristobalite-helium phases at high pressures
 Note: P = 4 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              184
_journal_page_last               189
_journal_volume                  99
_journal_year                    2014
_chemical_compound_source        'calculated structure'
_chemical_formula_sum            'He O2 Si'
_chemical_name_mineral           Cristobalite
_space_group_IT_number           167
_space_group_name_Hall           '-P 3* 2n'
_space_group_name_H-M_alt        'R -3 c :R'
_symmetry_space_group_name_H-M   'R -3 c :R'
_cell_angle_alpha                31.809
_cell_angle_beta                 31.809
_cell_angle_gamma                31.809
_cell_length_a                   9.080
_cell_length_b                   9.080
_cell_length_c                   9.080
_cell_formula_units_Z            4
_cell_volume                     184.735
_database_code_amcsd             0020171
_diffrn_ambient_pressure         4e+06
_exptl_crystal_density_diffrn    2.304
_cod_data_source_file            inputs/fixed/downloads/05/05653.cif
_cod_data_source_block           05653
_cod_original_sg_symbol_H-M      'R -3 c'
_cod_original_formula_sum        'Si O2 He'
_cod_database_code               9017022
loop_
_space_group_symop_operation_xyz
x,y,z
1/2-x,1/2-z,1/2-y
-z,-x,-y
1/2+y,1/2+x,1/2+z
y,z,x
1/2-z,1/2-y,1/2-x
-x,-y,-z
1/2+x,1/2+z,1/2+y
z,x,y
1/2-y,1/2-x,1/2-z
-y,-z,-x
1/2+z,1/2+y,1/2+x
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Si 0.56220 0.56220 0.56220
O1 0.50000 0.50000 0.50000
O2 0.85230 0.64770 0.25000
He 0.82340 0.82340 0.82340
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0020171
