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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/1/53/30/1533065.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_1533065
loop_
_publ_author_name
'Romano, R.'
'Ruiz, A.I.'
'Alves, O.L.'
_publ_section_title
;
 Multiple-step preparation and physicochemical characterization of
 crystalline alpha-germanium hydrogenphosphate
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              1520
_journal_page_last               1528
_journal_volume                  177
_journal_year                    2004
_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                 110.2
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.23
_cell_length_b                   4.784
_cell_length_c                   16.502
_cell_volume                     609.760
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Romano_JSSCBI_2004_1680.cif
_cod_data_source_block           H4Ge1O9P2
_cod_original_cell_volume        609.7596
_cod_original_formula_sum        'H4 Ge1 O9 P2'
_cod_database_code               1533065
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
O5 O-2 0.318 0.066 0.065 1 0.0
O3 O-2 0.836 0.923 0.575 1 0.0
O8 O-2 0.356 0.85 0.906 1 0.0
O2 O-2 0.912 0.307 0.544 1 0.0
P1 P+5 -0.022 0.66 0.595 1 0.0
P2 P+5 0.479 0.236 0.099 1 0.0
O4 O-2 0.163 0.706 0.714 1 0.0
O9 O-2 0.268 0.272 0.26 1 0.0
O1 O-2 0.136 0.93 0.594 1 0.0
O6 O-2 0.403 0.533 0.071 1 0.0
Ge1 Ge+4 0.732 0.239 0.504 1 0.0
O7 O-2 0.613 0.26 0.204 1 0.0
