#------------------------------------------------------------------------------
#$Date: 2024-04-25 16:59:02 +0200 (jue 25 de abr de 2024) $
#$Revision: 291351 $
#$URL: svn://www.crystallography.net/cod/cif/9/00/27/9002782.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_9002782
loop_
_publ_author_name
'Dera, P.'
'Prewitt, C. T.'
'Boctor, N. Z.'
'Hemley, R. J.'
_publ_section_title
;
 Characterization of a high-pressure phase of silica from the
 Martian meteorite Shergotty
 alpha-PbO2-like
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1018
_journal_page_last               1023
_journal_volume                  87
_journal_year                    2002
_chemical_formula_structural     SiO2
_chemical_formula_sum            'O2 Si'
_chemical_name_mineral           Seifertite
_space_group_IT_number           60
_symmetry_space_group_name_Hall  '-P 2n 2ab'
_symmetry_space_group_name_H-M   'P b c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.097
_cell_length_b                   5.0462
_cell_length_c                   4.4946
_cell_formula_units_Z            4
_cell_volume                     92.923
_database_code_amcsd             0002871
_exptl_crystal_density_diffrn    4.295
_cod_original_formula_sum        'Si O2'
_cod_database_code               9002782
loop_
_space_group_symop_operation_xyz
x,y,z
x,-y,1/2+z
-x,y,1/2-z
1/2-x,1/2+y,z
1/2+x,1/2-y,-z
1/2+x,1/2+y,1/2-z
1/2-x,1/2-y,1/2+z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Si 0.00000 0.15220 0.25000 0.01013
O 0.73360 0.62450 0.91860 0.00127
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 ChemSpider 21241293
2 AMCSD 0002871
