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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/12/1531288.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1531288
loop_
_publ_author_name
'Dera, P.'
'Prewitt, C.T.'
'Jayaraman, A.'
'Gramsch, S.A.'
_publ_section_title
;
 Structural basis for high-pressure polymorphism in Cu Ge O3
;
_journal_name_full
'Physical Review, Serie 3. B - Condensed Matter (18,1978-)'
_journal_page_first              134105-1
_journal_page_last               134105-10
_journal_volume                  65
_journal_year                    2002
_chemical_formula_sum            'Cu Ge O3'
_chemical_name_systematic        'Cu (Ge O3)'
_space_group_IT_number           55
_symmetry_space_group_name_Hall  '-P 2 2ab'
_symmetry_space_group_name_H-M   'P b a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   10.052
_cell_length_b                   8.192
_cell_length_c                   5.795
_cell_volume                     477.195
_citation_journal_id_ASTM        PRBMDO
_cod_data_source_file            Dera_PRBMDO_2002_1241.cif
_cod_data_source_block           Cu1Ge1O3
_cod_original_formula_sum        'Cu1 Ge1 O3'
_cod_database_code               1531288
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
x+1/2,-y+1/2,-z
-x+1/2,y+1/2,-z
-x,-y,-z
x,y,-z
-x-1/2,y-1/2,z
x-1/2,-y-1/2,z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Ge2 Ge+4 0.2639 0.1534 0.5 0.87 0.0
O5 O-2 0.3704 -0.0176 0.5 1 0.0
O1 O-2 0.1029 0.0934 0 1 0.0
Cu2 Cu+2 0.5 0 0.2498 1 0.0
Ge3 Ge+4 0.266 0.154 0 0.13 0.0
O3 O-2 0.3106 0.2619 0.7523 1 0.0
O4 O-2 0.094 0.1069 0.5 1 0.0
O2 O-2 0.3806 -0.0537 0 1 0.0
Ge4 Ge+4 0.211 0.256 0.5 0.13 0.0
Cu1 Cu+2 0 0 0.2501 1 0.0
Ge1 Ge+4 0.2082 0.2615 0 0.87 0.0
