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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/12/1531289.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_1531289
loop_
_publ_author_name
'Dera, P.'
'Gramsch, S.A.'
'Prewitt, C.T.'
'Jayaraman, 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           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 92.387
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   4.783
_cell_length_b                   6.718
_cell_length_c                   6.157
_cell_volume                     197.666
_citation_journal_id_ASTM        PRBMDO
_cod_data_source_file            Dera_PRBMDO_2002_1242.cif
_cod_data_source_block           Cu1Ge1O3
_cod_original_cell_volume        197.6663
_cod_original_formula_sum        'Cu1 Ge1 O3'
_cod_database_code               1531289
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z+1/2
-x,-y,-z
x,-y-1/2,z-1/2
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
Ge1 Ge+4 0.5 0.2958 0.731 1 0.0
O1 O-2 0.11 0.369 0.749 1 0.0
Cu2 Cu+2 0 0 0 1 0.0
Cu1 Cu+2 0 0.5 0 1 0.0
O2 O-2 0.69 0.188 0.012 1 0.0
O3 O-2 0.36 0.044 0.69 1 0.0
