/usr/share/avogadro/crystals/oxides/GeO2.cif is in avogadro-data 1.2.0-3.
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# All data on this site have been placed in the public domain by the
# contributors.
#------------------------------------------------------------------------------
#$Date: 2010-06-10 15:11:07 +0000 (Thu, 10 Jun 2010) $
#$Revision: 1210 $
#$URL: svn://cod.ibt.lt/cod/cif/9/9007477.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_9007477
loop_
_publ_author_name
'Smith, G. S.'
'Isaacs, P. B.'
_publ_section_title
;
The crystal structure of quartz-like GeO2
Note: polymorph of argutite
;
_journal_name_full 'Acta Crystallographica'
_journal_page_first 842
_journal_page_last 846
_journal_volume 17
_journal_year 1964
_chemical_formula_sum 'Ge O2'
_chemical_name_mineral GeO2
_symmetry_space_group_name_H-M 'P 32 2 1'
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_length_a 4.987
_cell_length_b 4.987
_cell_length_c 5.652
_cell_volume 121.734
_exptl_crystal_density_diffrn 4.281
_cod_database_code 9007477
_amcsd_database_code AMCSD#0009217
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
y,x,2/3-z
-y,x-y,2/3+z
-x,-x+y,1/3-z
-x+y,-x,1/3+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
Ge 0.00718 0.00633 0.00680 0.00321 0.00000 0.00000
O 0.01814 0.01342 0.01343 0.01115 -0.00495 -0.00371
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ge 0.45130 0.00000 0.00000
O 0.39690 0.30210 0.09090
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