#------------------------------------------------------------------------------
#$Date: 2024-05-02 12:48:35 +0200 (Thu 02 de May de 2024) $
#$Revision: 291455 $
#$URL: svn://www.crystallography.net/cod/cif/9/00/68/9006859.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_9006859
loop_
_publ_author_name
'Haines, J.'
'Leger, J. M.'
'Chateau, C.'
'Pereira, A. S.'
_publ_section_title
;
 Structural evolution of rutile-type and CaCl2-type germanium dioxide
 at high pressure
 Sample: CaCl2-type, post-argutite, P = 29 GPa
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              575
_journal_page_last               582
_journal_paper_doi               10.1007/s002690000092
_journal_volume                  27
_journal_year                    2000
_chemical_formula_structural     GeO2
_chemical_formula_sum            'Ge O2'
_space_group_IT_number           58
_symmetry_space_group_name_Hall  '-P 2 2n'
_symmetry_space_group_name_H-M   'P n n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.2852
_cell_length_b                   4.1959
_cell_length_c                   2.8062
_cell_formula_units_Z            2
_cell_volume                     50.456
_database_code_amcsd             0008441
_diffrn_ambient_pressure         2.9e+07
_exptl_crystal_density_diffrn    6.885
_cod_database_code               9006859
_amcsd_formula_title             GeO2
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2-y,1/2+z
1/2-x,1/2+y,1/2-z
1/2-x,1/2+y,1/2+z
1/2+x,1/2-y,1/2-z
x,y,-z
-x,-y,z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ge 0.00000 0.00000 0.00000
O 0.33500 0.26200 0.00000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 ChemSpider 10605912
2 AMCSD 0008441
