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#$Date: 2016-02-13 14:50:18 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176428 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/02/01/2020150.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2020150
loop_
_publ_author_name
'Cadee, M.C.'
'Verschoor, G.C.'
'Ijdo, D.J.W.'
_publ_section_title
;
 Structures of Pb3 Ge Ga10 O20 and Ba3 Sn Fe10 O20
;
_journal_name_full               'Acta Crystallographica C (39,1983-)'
_journal_page_first              921
_journal_page_last               925
_journal_volume                  39
_journal_year                    1983
_chemical_formula_sum            'Ga10 Ge O20 Pb3'
_chemical_name_systematic        'Pb3 Ge Ga10 O20'
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y (x,y,-x+z)'
_symmetry_space_group_name_H-M   'C 1 2/m 1 (a+c,b,c)'
_cell_angle_alpha                90
_cell_angle_beta                 90.23
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   14.751
_cell_length_b                   11.695
_cell_length_c                   5.106
_cell_volume                     880.844
_citation_journal_id_ASTM        ACSCEE
_cod_data_source_file            Cadee_ACSCEE_1983_244.cif
_cod_data_source_block           Ga10Ge1O20Pb3
_cod_original_sg_symbol_H-M      'I 1 2/m 1'
_cod_chemical_formula_sum_orig   'Ga10 Ge1 O20 Pb3'
_cod_database_code               2020150
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z
-x,-y,-z
x,-y,z
x+1/2,y+1/2,z+1/2
-x+1/2,y+1/2,-z+1/2
-x+1/2,-y+1/2,-z+1/2
x+1/2,-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
O6 O-2 0.93 0.384 0.821 1 0.0
Ga2 Ga+3 0.3558 0.3634 0.0129 1 0.0
Ge1 Ge+4 0 0.5 0 1 0.0
Ga3 Ga+3 0.1356 0.2876 0.9744 1 0.0
Ga1 Ga+3 0 0.3665 0.5 1 0.0
Pb2 Pb+2 0.2817 0 0.9512 1 0.0
Pb1 Pb+2 0 0 0 1 0.0
O5 O-2 0.861 0.147 0.867 1 0.0
O3 O-2 0.24 0.365 0.889 1 0.0
O4 O-2 0.417 0.246 0.85 1 0.0
O1 O-2 0.432 0 0.822 1 0.0
O2 O-2 0.903 0 0.41 1 0.0