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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/1/52/40/1524044.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_1524044
loop_
_publ_author_name
'Baumgartner, O.'
'Voellenkle, H.'
_publ_section_title
;
 Die Kristallstruktur des tetragermanats K2 Ba (Ge4 O9)2
;
_journal_name_full
;
Monatshefte fuer Chemie und verwandte Teile anderer Wissenschaften (109,1978-)
;
_journal_page_first              1145
_journal_page_last               1153
_journal_volume                  109
_journal_year                    1978
_chemical_formula_sum            'Ba Ge8 K2 O18'
_chemical_name_systematic        'K2 Ba (Ge4 O9)2'
_space_group_IT_number           165
_symmetry_space_group_name_Hall  '-P 3 2"c'
_symmetry_space_group_name_H-M   'P -3 c 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   11.729
_cell_length_b                   11.729
_cell_length_c                   19.278
_cell_volume                     2296.755
_citation_journal_id_ASTM        MOCMB7
_cod_data_source_file            Baumgartner_MOCMB7_1978_331.cif
_cod_data_source_block           Ba1Ge8K2O18
_cod_original_formula_sum        'Ba1 Ge8 K2 O18'
_cod_database_code               1524044
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
y,x,-z+1/2
-x,-x+y,-z+1/2
x-y,-y,-z+1/2
-x,-y,-z
y,-x+y,-z
x-y,x,-z
-y,-x,z-1/2
x,x-y,z-1/2
-x+y,y,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
K1 K+1 0.6644 0.0016 0.9606 1 0.0
O3 O-2 0.8173 0.3941 0.5328 1 0.0
Ba1 Ba+2 0.6649 0 0.75 1 0.0
O7 O-2 0.6741 0.7944 0.672 1 0.0
O8 O-2 0.7827 0.6755 0.5849 1 0.0
O4 O-2 0.7591 0.4853 0.4237 1 0.0
O5 O-2 0.0869 0.9366 0.3082 1 0.0
Ge3 Ge+4 0.3333 0.6667 0.7721 1 0.0
Ge7 Ge+4 0.178 0.0038 0.8726 1 0.0
Ge2 Ge+4 0 0 0.25 1 0.0
O2 O-2 0.7263 0.4815 0.1709 1 0.0
Ge6 Ge+4 0.4881 0.3333 0.1087 1 0.0
O1 O-2 0.8156 0.4064 0.2825 1 0.0
Ge4 Ge+4 0.3333 0.6667 0.0225 1 0.0
O6 O-2 0.0675 0.9174 0.5587 1 0.0
Ge1 Ge+4 0 0 0 1 0.0
Ge5 Ge+4 0.4828 0.338 0.3505 1 0.0
O9 O-2 0.9914 0.4752 0.6358 1 0.0
