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#$Date: 2018-09-27 07:13:35 +0300 (Thu, 27 Sep 2018) $
#$Revision: 211196 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/52/62/1526227.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_1526227
loop_
_publ_author_name
'Haines, J.'
'Leger, J.M.'
'Chateau, C.'
_publ_section_title
;
 Transition to a crystalline high-pressure phase in alpha-(Ge O2) at room
 temperature
;
_journal_name_full
'Physical Review, Serie 3. B - Condensed Matter (18,1978-)'
_journal_page_first              8701
_journal_page_last               8706
_journal_volume                  61
_journal_year                    2000
_chemical_formula_sum            'Ge O2'
_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                 119.94
_cell_angle_gamma                90
_cell_formula_units_Z            6
_cell_length_a                   8.285
_cell_length_b                   4.32
_cell_length_c                   5.41
_cell_volume                     167.790
_citation_journal_id_ASTM        PRBMDO
_cod_data_source_file            Haines_PRBMDO_2000_473.cif
_cod_data_source_block           Ge1O2
_cod_original_cell_volume        167.7901
_cod_original_formula_sum        'Ge1 O2'
_cod_database_code               1526227
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 0 0.74 0.0
Ge3 Ge+4 0.16 0.521 0.977 1 0.0
O2 O-2 0.721 0.242 0.186 1 0.0
Ge2 Ge+4 0.5 0.5 0 0.26 0.0
O3 O-2 0.387 0.237 0.66 1 0.0
O1 O-2 0.054 0.243 0.651 1 0.0
