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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/1/52/87/1528797.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_1528797
loop_
_publ_author_name
'Peters, L.'
'Evans, J.S.O.'
_publ_section_title
;
 Redetermination of the crystal structure of Ge (H P O4)2 * H2 O, and its
 thermal behaviour in the range 300 >= T >= 16 K
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              2363
_journal_page_last               2370
_journal_volume                  180
_journal_year                    2007
_chemical_formula_sum            'Ge H4 O9 P2'
_chemical_name_systematic        'Ge (H P O4)2 (H2 O)'
_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                 108.984
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.293
_cell_length_b                   4.7885
_cell_length_c                   16.4092
_cell_volume                     616.184
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Peters_JSSCBI_2007_1545.cif
_cod_data_source_block           H4Ge1O9P2
_cod_original_formula_sum        'H4 Ge1 O9 P2'
_cod_database_code               1528797
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
O3 O-2 0.831 0.94 0.5805 1 0.0
O1 O-2 0.1212 0.855 0.5613 1 0.0
O2 O-2 0.9469 0.456 0.5792 1 0.0
O4 O-2 0.0821 0.756 0.7056 1 0.0
O5 O-2 0.3077 0.075 0.056 1 0.0
O6 O-2 0.4372 0.559 0.0682 1 0.0
P2 P+5 0.4676 0.257 0.095 1 0.0
O8 O-2 0.3747 0.859 0.9217 1 0.0
Ge1 Ge+4 0.755 0.252 0.5092 1 0.0
P1 P+5 -0.0077 0.757 0.6035 1 0.0
O9 O-2 0.253 0.276 0.2586 1 0.0
O7 O-2 0.5085 0.252 0.1953 1 0.0
