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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/1/53/61/1536128.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_1536128
loop_
_publ_author_name
'Voronkova, V.I.'
'Yanovskii, V.K.'
'Sorokina, N.I.'
'Verin, I.A.'
'Simonov, V.I.'
_publ_section_title
;
 Ferroelectric phase transition and crystal structure of KGeOPO4
;
_journal_name_full               Kristallografiya
_journal_page_first              147
_journal_page_last               151
_journal_volume                  38
_journal_year                    1993
_chemical_formula_sum            'Ge K O5 P'
_chemical_name_systematic        'K Ge O P O4'
_space_group_IT_number           33
_symmetry_space_group_name_Hall  'P 2c -2n'
_symmetry_space_group_name_H-M   'P n a 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   12.6013
_cell_length_b                   6.3051
_cell_length_c                   10.0031
_cell_volume                     794.771
_citation_journal_id_ASTM        KRISAJ
_cod_data_source_file            Voronkova_KRISAJ_1993_1378.cif
_cod_data_source_block           Ge1K1O5P1
_cod_original_cell_volume        794.7709
_cod_original_formula_sum        'Ge1 K1 O5 P1'
_cod_database_code               1536128
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z+1/2
-x+1/2,y+1/2,z+1/2
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
O9 O-2 0.2537 0.5429 0.6214 1 0.0
O3 O-2 0.4041 0.1929 0.2746 1 0.0
O6 O-2 0.2234 -0.0348 0.634 1 0.0
O7 O-2 0.1088 0.3115 0.5335 1 0.0
Ge2 Ge+4 0.24882 0.25364 0.25103 1 0.0
O5 O-2 0.2287 0.0474 0.3764 1 0.0
K2 K+1 0.109 0.692 0.0729 1 0.0
O4 O-2 0.5935 0.1879 0.2272 1 0.0
Ge1 Ge+4 0.3708 0.49811 0 1 0.0
K1 K+1 0.3824 0.7809 0.3205 1 0.0
O1 O-2 0.485 0.4814 0.1312 1 0.0
P2 P+5 0.17902 0.50352 0.50233 1 0.0
O2 O-2 0.517 0.4736 0.3755 1 0.0
P1 P+5 0.50201 0.33162 0.25053 1 0.0
O10 O-2 0.2562 0.4599 0.387 1 0.0
O8 O-2 0.1093 0.6962 0.4699 1 0.0
