#------------------------------------------------------------------------------
#$Date: 2010-01-30 13:59:17 +0000 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: svn://www.crystallography.net/cod/cif/2/2104024.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# 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_2104024
loop_
_publ_author_name
'Shiraki, Koichi'
'Tsuchiya, Taku'
'Ono, Shigeaki'
_publ_section_title
;
 Structural refinements of high-pressure phases in germanium dioxide
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              701
_journal_page_last               708
_journal_volume                  59
_journal_year                    2003
_chemical_formula_moiety         'Ge O2'
_chemical_formula_structural     'Ge O2'
_chemical_formula_sum            'Ge O2'
_chemical_formula_weight         104.6088
_chemical_name_systematic        ' germanium dioxide'
_space_group_IT_number           60
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2n 2ab'
_symmetry_space_group_name_H-M   'P b c n'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   4.0519(6)
_cell_length_b                   5.0269(6)
_cell_length_c                   4.5223(6)
_cell_volume                     92.11(2)
_[local]_cod_data_source_file    ws0004.cif
_[local]_cod_data_source_block   II_phase_1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x+1/2,-y+1/2,z+1/2
3 -x,y,-z+1/2
4 x+1/2,-y+1/2,-z
5 -x,-y,-z
6 x+1/2,y+1/2,-z+1/2
7 x,-y,z+1/2
8 -x+1/2,y+1/2,z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_thermal_displace_type
_atom_site_occupancy
_atom_site_type_symbol
Ge1 0.0 0.1690(10) 0.25 Biso 1.0 Ge
O1 0.211(5) 0.895(3) 0.400(2) Biso 1.0 O
_cod_database_code 2104024