#------------------------------------------------------------------------------
#$Date: 2017-09-13 03:01:21 +0300 (Wed, 13 Sep 2017) $
#$Revision: 200795 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/02/06/2020636.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_2020636
loop_
_publ_author_name
'Ozima, M.'
_publ_section_title
;
 Structure of high-pressure phases of barium germanium oxide, BaGe₂O₅
;
_journal_coden_ASTM              ACSCEE
_journal_issue                   7
_journal_name_full
;
 Acta Crystallographica, Section C: Crystal Structure Communications
;
_journal_page_first              1003
_journal_page_last               1007
_journal_paper_doi               10.1107/s0108270185006357
_journal_volume                  41
_journal_year                    1985
_chemical_formula_sum            'Ba Ge2 O5'
_chemical_name_common            'BaGe2O5 III'
_space_group_IT_number           64
_space_group_name_H-M_alt        'C m c e'
_symmetry_space_group_name_Hall  '-C 2ac 2'
_symmetry_space_group_name_H-M   'C m c e'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   5.5632(2)
_cell_length_b                   9.8711(6)
_cell_length_c                   14.3231(12)
_cell_volume                     786.55(9)
_cod_data_source_file            BaGe2O5-III.cif
_cod_data_source_block           BaGe2O5-III
_cod_original_formula_sum        'O5 Ge2 Ba'
_cod_database_code               2020636
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
'-x, -y+1/2, z+1/2'
'x, y+1/2, -z+1/2'
'-x, y+1/2, -z+1/2'
'x, -y+1/2, z+1/2'
'x, -y, -z'
'-x, y, z'
'x+1/2, y+1/2, z'
'-x+1/2, -y+1/2, -z'
'-x+1/2, -y, z+1/2'
'x+1/2, y, -z+1/2'
'-x+1/2, y, -z+1/2'
'x+1/2, -y, z+1/2'
'x+1/2, -y+1/2, -z'
'-x+1/2, y+1/2, z'
loop_
_atom_site_label
_atom_site_occupancy
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_adp_type
_atom_site_B_iso_or_equiv
_atom_site_type_symbol
Ba 1.0 0.000000 0.33673(12) 0.07885(8) Biso 0.740000 Ba
Ge1 1.0 0.500000 0.1715(3) 0.18228(13) Biso 0.660000 Ge
Ge2 1.0 0.000000 0.000000 0.13995(14) Biso 0.800000 Ge
O1 1.0 0.500000 0.000000 0.2409(10) Biso 1.000000 O
O2 1.0 0.500000 0.3310(15) 0.1004(9) Biso 0.730000 O
O3 1.0 0.250000 0.250000 0.250000 Biso 0.860000 O
O4 1.0 0.260(2) 0.0898(10) 0.0934(7) Biso 0.660000 O
