#------------------------------------------------------------------------------
#$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/2/00/28/2002811.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_2002811
loop_
_publ_author_name
'Mueller-Buschbaum, Hk'
'Wedel, B'
_publ_section_title
;
Ueber die Kristallchemie der Tellurate Pb3 Fe2 Te2 O12 und Pb2 Co Te O6
;
_journal_name_full
;
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie,
Organische Chemie (42,1987-)
;
_journal_page_first              35
_journal_page_last               39
_journal_volume                  52
_journal_year                    1997
_chemical_formula_structural     'Pb3 (Fe2 Te2 O12)'
_chemical_formula_sum            'Fe2 O12 Pb3 Te2'
_chemical_name_systematic        'Trilead diferro(III)ditellurate'
_space_group_IT_number           9
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      9
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 1'
_cell_angle_alpha                90
_cell_angle_beta                 111.34(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.866(3)
_cell_length_b                   15.332(4)
_cell_length_c                   7.172(2)
_cell_volume                     1010.5
_refine_ls_R_factor_all          0.0529
_cod_database_code               2002811
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x,-y,1/2+z
1/2+x,1/2+y,z
1/2+x,1/2-y,1/2+z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
Pb1 Pb2+ 4 a 0.285840(7) 0.312700(5) 0.260810(9) 1. 0 d
Pb2 Pb2+ 4 a 0.629610(7) 0.180540(5) 0.192570(9) 1. 0 d
Pb3 Pb2+ 4 a 0.72419(1) 0.432340(4) 0.48770(2) 1. 0 d
Te1 Te6+ 4 a 0.408120(13) 0.162600(8) 0.63276(2) 0.75 0 d
Fe1 Fe3+ 4 a 0.408120(13) 0.162600(8) 0.63276(2) 0.25 0 d
Te2 Te6+ 4 a 0.403140(13) 0.496610(8) 0.10225(2) 0.75 0 d
Fe2 Fe3+ 4 a 0.403140(13) 0.496610(8) 0.10225(2) 0.25 0 d
Te3 Te6+ 4 a 0.51690(2) 0.338950(12) 0.83573(3) 0.25 0 d
Fe3 Fe3+ 4 a 0.51690(2) 0.338950(12) 0.83573(3) 0.75 0 d
Te4 Te6+ 4 a 0.52340(2) 0.003060(12) 0.37066(3) 0.25 0 d
Fe4 Fe3+ 4 a 0.52340(2) 0.003060(12) 0.37066(3) 0.75 0 d
O1 O2- 4 a 0.59066(12) 0.44868(7) 0.7508(2) 1. 0 d
O2 O2- 4 a 0.41284(15) 0.23116(9) 0.8719(2) 1. 0 d
O3 O2- 4 a 0.41214(12) 0.55256(8) -0.1358(2) 1. 0 d
O4 O2- 4 a 0.7069(2) 0.28969(7) 0.9820(3) 1. 0 d
O5 O2- 4 a 0.7162(2) 0.05460(7) 0.4850(3) 1. 0 d
O6 O2- 4 a 0.50986(11) 0.04744(7) 0.1132(2) 1. 0 d
O7 O2- 4 a 0.32709(13) -0.05859(9) 0.2080(2) 1. 0 d
O8 O2- 4 a 0.50644(13) 0.26523(9) 0.5908(2) 1. 0 d
O9 O2- 4 a 0.42160(14) 0.10732(8) 0.3963(2) 1. 0 d
O10 O2- 4 a 0.59278(14) -0.11044(9) 0.3120(2) 1. 0 d
O11 O2- 4 a 0.49994(12) 0.38893(8) 0.0773(2) 1. 0 d
O12 O2- 4 a 0.33159(13) 0.39163(8) 0.6628(2) 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Pb2+ 2.000
Te6+ 6.000
Fe3+ 3.000
O2- -2.000
