#------------------------------------------------------------------------------
#$Date: 2023-03-26 10:09:57 +0200 (Sun 26 de Mar de 2023) $
#$Revision: 282068 $
#$URL: svn://www.crystallography.net/cod/cif/9/01/14/9011495.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_9011495
loop_
_publ_author_name
'Glinnemann, J.'
'King, H. E.'
'Schulz, H.'
'Hahn, T.'
'La Placa, S. J.'
'Dacol, F.'
_publ_section_title
;Crystal structures of the low-temperature quartz-type phases of SiO2 and GeO2
 at elevated pressure P = 7.2GPa = 72 kbar
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              177
_journal_page_last               212
_journal_volume                  198
_journal_year                    1992
_chemical_formula_sum            'O2 Si'
_chemical_name_mineral           Quartz
_symmetry_space_group_name_H-M   'P 31 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   4.6764
_cell_length_b                   4.6764
_cell_length_c                   5.2475
_cell_volume                     99.382
_database_code_amcsd             0011009
_diffrn_ambient_pressure         7.2e+06
_exptl_crystal_density_diffrn    3.012
_cod_original_formula_sum        'Si O2'
_cod_database_code               9011495
loop_
_space_group_symop_operation_xyz
x,y,z
y,x,1/3-z
-y,x-y,1/3+z
-x,-x+y,2/3-z
-x+y,-x,2/3+z
x-y,-y,-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 0.00530 0.00410 0.00510 0.00205 0.00030 0.00060
O 0.01190 0.00820 0.00830 0.00700 0.00260 0.00300
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Si 0.45030 0.00000 0.00000
O 0.40120 0.29710 -0.09610
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0011009
