#------------------------------------------------------------------------------
#$Date: 2023-03-27 09:00:38 +0200 (Mon 27 de Mar de 2023) $
#$Revision: 282074 $
#$URL: svn://www.crystallography.net/cod/cif/9/01/72/9017293.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_9017293
loop_
_publ_author_name
'Dollase, W. A.'
_publ_section_title
;
 The crystal structure at 220 C of orthothombic high tridymite
 from the Steinbach meteorite
 Note: T = 220 C
;
_journal_name_full               'Acta Crystallographica'
_journal_page_first              617
_journal_page_last               623
_journal_volume                  23
_journal_year                    1967
_chemical_compound_source        'Steinbach meteorite'
_chemical_formula_sum            'O2 Si'
_chemical_name_mineral           Tridymite
_space_group_IT_number           20
_space_group_name_Hall           'C 2c 2 (x,y,z-1/4)'
_space_group_name_H-M_alt        'C 2 2 21 (a,b,c+1/4)'
_symmetry_space_group_name_H-M   'C 2 2 21 (a,b,c+1/4)'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.74
_cell_length_b                   5.04
_cell_length_c                   8.24
_cell_volume                     362.969
_database_code_amcsd             0020733
_diffrn_ambient_temperature      493.15
_exptl_crystal_density_diffrn    2.199
_cod_data_source_file            inputs/fixed/downloads/10/10734.cif
_cod_data_source_block           10734
_cod_original_sg_symbol_H-M      'C 2 2 21'
_cod_original_formula_sum        'Si O2'
_cod_database_code               9017293
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,z
-x,y,-z
1/2-x,1/2+y,-z
x,-y,1/2-z
1/2+x,1/2-y,1/2-z
-x,-y,1/2+z
1/2-x,1/2-y,1/2+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 0.04605 0.03346 0.04093 0.00268 -0.00036 -0.00274
O1 0.15479 0.10295 0.05848 0.00000 0.00000 0.01894
O2 0.04644 0.17501 0.10319 0.00000 0.00730 0.00000
O3 0.15866 0.06949 0.08599 0.05356 -0.02189 0.01683
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Si 0.16846 0.53589 0.43857
O1 0.33360 0.00000 0.75000
O2 0.00000 0.55970 0.50000
O3 0.25470 0.30290 0.52130
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0020733
