#------------------------------------------------------------------------------
#$Date: 2017-10-13 07:28:26 +0200 (vie 13 de oct de 2017) $
#$Revision: 201972 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/40/2104027.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_2104027
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_paper_doi               10.1107/S0108768103021761
_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           205
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  '-P 2ac 2ab 3'
_symmetry_space_group_name_H-M   'P a -3'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   4.3365(15)
_cell_length_b                   4.3365(15)
_cell_length_c                   4.3365(15)
_cell_volume                     81.55(5)
_cod_data_source_file            ws0004.cif
_cod_data_source_block           III_phase_1
_cod_database_code               2104027
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x+1/2,-y,z+1/2
3 -x,y+1/2,-z+1/2
4 x+1/2,-y+1/2,-z
5 z,x,y
6 z+1/2,-x+1/2,-y
7 -z+1/2,-x,y+1/2
8 -z,x+1/2,-y+1/2
9 y,z,x
10 -y,z+1/2,-x+1/2
11 y+1/2,-z+1/2,-x
12 -y+1/2,-z,x+1/2
13 -x,-y,-z
14 x+1/2,y,-z+1/2
15 x,-y+1/2,z+1/2
16 -x+1/2,y+1/2,z
17 -z,-x,-y
18 -z+1/2,x+1/2,y
19 z+1/2,x,-y+1/2
20 z,-x+1/2,y+1/2
21 -y,-z,-x
22 y,-z+1/2,x+1/2
23 -y+1/2,z+1/2,x
24 y+1/2,z,-x+1/2
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 0.0 0.0 Biso 1.0 Ge
O1 0.3417(16) 0.3417(16) 0.3417(16) Biso 1.0 O
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 ChemSpider 10605912
