#------------------------------------------------------------------------------
#$Date: 2024-05-06 10:39:41 +0300 (Mon, 06 May 2024) $
#$Revision: 291735 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/96/9009685.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_9009685
loop_
_publ_author_name
'Pluth, J. J.'
'Smith, J. V.'
'Faber, J.'
_publ_section_title
;
 Crystal structure of low cristobalite at 10, 293, and 473 K:
 Variation of framework geometry with temperature
 Sample: T = 10 K
;
_journal_name_full               'Journal of Applied Physics'
_journal_page_first              1045
_journal_page_last               1049
_journal_paper_doi               10.1063/1.334545
_journal_volume                  57
_journal_year                    1985
_chemical_compound_source        Synthetic
_chemical_formula_sum            'O2 Si'
_chemical_name_mineral           Cristobalite
_space_group_IT_number           92
_symmetry_space_group_name_Hall  'P 4abw 2nw'
_symmetry_space_group_name_H-M   'P 41 21 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.9570
_cell_length_b                   4.9570
_cell_length_c                   6.8903
_cell_formula_units_Z            4
_cell_volume                     169.307
_database_code_amcsd             0012928
_diffrn_ambient_temperature      10
_exptl_crystal_density_diffrn    2.357
_cod_original_formula_sum        'Si O2'
_cod_database_code               9009685
loop_
_space_group_symop_operation_xyz
x,y,z
y,x,-z
1/2-y,1/2+x,1/4+z
1/2-x,1/2+y,1/4-z
-x,-y,1/2+z
-y,-x,1/2-z
1/2+y,1/2-x,3/4+z
1/2+x,1/2-y,3/4-z
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Si 0.00187 0.00187 0.00289 0.00050 0.00087 -0.00087
O 0.00909 0.00050 0.00529 -0.00075 0.00104 0.00225
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Si 0.30470 0.30470 0.00000
O 0.23810 0.11090 0.18260
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0012928
