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#$Date: 2013-03-28 18:17:04 +0200 (Thu, 28 Mar 2013) $
#$Revision: 77586 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/68/9006861.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_9006861
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 = 35 GPa
 Note: O y-coordinate altered from the reported value
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              575
_journal_page_last               582
_journal_volume                  27
_journal_year                    2000
_chemical_formula_structural     GeO2
_chemical_formula_sum            'Ge O2'
_chemical_name_mineral           GeO2
_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                   4.2834
_cell_length_b                   4.1508
_cell_length_c                   2.7941
_cell_volume                     49.678
_diffrn_ambient_pressure         3.5e+07
_exptl_crystal_density_diffrn    6.993
_cod_database_code               9006861
_amcsd_database_code             AMCSD#0008382
loop_
_symmetry_equiv_pos_as_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 0.33600 0.25500 0.00000