#------------------------------------------------------------------------------
#$Date: 2024-05-02 12:48:35 +0200 (Thu 02 de May de 2024) $
#$Revision: 291455 $
#$URL: svn://www.crystallography.net/cod/cif/9/00/80/9008093.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_9008093
loop_
_publ_author_name
'Arnold, H.'
_publ_section_title
;Die struktur des hochquarzes Note: sample is at T = 650 deg C, under the
 false assumption that it is twinned
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              467
_journal_page_last               469
_journal_volume                  117
_journal_year                    1962
_chemical_formula_sum            'O2 Si'
_chemical_name_mineral           Quartz
_space_group_IT_number           152
_symmetry_space_group_name_Hall  'P 31 2"'
_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                   5.01
_cell_length_b                   5.01
_cell_length_c                   5.47
_cell_formula_units_Z            3
_cell_volume                     118.903
_database_code_amcsd             0010605
_diffrn_ambient_temperature      923.15
_exptl_crystal_density_diffrn    2.517
_cod_original_formula_sum        'Si O2'
_cod_database_code               9008093
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
y,x,-z
-y,x-y,1/3+z
-x,-x+y,1/3-z
-x+y,-x,2/3+z
x-y,-y,2/3-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 0.00315 0.00315 0.00379 0.00114 -0.00289 -0.00577
O 0.00353 0.00353 0.02713 0.00095 -0.00120 0.00036
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Si 0.46660 0.00000 0.33333
O 0.42750 0.18740 0.12870
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0010605
