#------------------------------------------------------------------------------
#$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/2/00/28/2002812.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_2002812
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     'Pb2 Co (Te O6)'
_chemical_formula_sum            'Co O6 Pb2 Te'
_chemical_name_systematic        'Dilead cobalt tellurate'
_space_group_IT_number           139
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      139
_symmetry_space_group_name_Hall  '-I 4 2'
_symmetry_space_group_name_H-M   'I 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.6611(5)
_cell_length_b                   5.6611(5)
_cell_length_c                   8.0036(7)
_cell_volume                     256.5
_refine_ls_R_factor_all          0.0502
_cod_database_code               2002812
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
-x,y,z
x,-y,z
-y,x,z
y,-x,z
y,x,z
-y,-x,z
-x,-y,-z
x,y,-z
x,-y,-z
-x,y,-z
y,-x,-z
-y,x,-z
-y,-x,-z
y,x,-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+x,1/2-y,1/2+z
1/2-y,1/2+x,1/2+z
1/2+y,1/2-x,1/2+z
1/2+y,1/2+x,1/2+z
1/2-y,1/2-x,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-x,1/2+y,1/2-z
1/2+y,1/2-x,1/2-z
1/2-y,1/2+x,1/2-z
1/2-y,1/2-x,1/2-z
1/2+y,1/2+x,1/2-z
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_22
_atom_site_aniso_U_23
_atom_site_aniso_U_33
Pb1 0.01997(2) 0. 0. 0.01997(2) 0. 0.01866(4)
Co1 0.01315(8) 0. 0. 0.01315(8) 0. 0.00535(14)
Te1 0.00831(3) 0. 0. 0.00831(3) 0. 0.00901(6)
O1 0.0247(3) -0.0188(4) 0. 0.0247(3) 0. 0.0400(8)
O2 0.0446(8) 0. 0. 0.0446(8) 0. .0000(6)
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 d 0.5 0. 0.25 1. 0 d
Co1 Co2+ 2 a 0. 0. 0. 1. 0 d
Te1 Te6+ 2 b 0.5 0.5 0. 1. 0 d
O1 O2- 8 h 0.26145(13) 0.26145(13) 0. 1. 0 d
O2 O2- 4 e 0. 0. 0.2596(2) 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Pb2+ 2.000
Co2+ 2.000
Te6+ 6.000
O2- -2.000
