#------------------------------------------------------------------------------
#$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/2/00/21/2002155.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_2002155
loop_
_publ_author_name
'Wedel, B'
'Sugiyama, K'
'Mueller-Buschbaum, Hk'
_publ_section_title
;
Verknuepfung von (Te O6)6 und (Te O6)3 (Ni O6)3sechringen durch Te Ni
O9-Oktaederdoppel in Pb3 Ni4.5 Te2.5 O15
;
_journal_name_full
;
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie,
Organische Chemie (42,1987-)
;
_journal_page_first              527
_journal_page_last               531
_journal_volume                  53
_journal_year                    1998
_chemical_formula_structural     'Pb3 (Ni4.5 Te2.5 O15)'
_chemical_formula_sum            'Ni4.5 O15 Pb3 Te2.5'
_chemical_name_systematic        'Lead nickel tellurium oxide (3/4.5/2.5/15)'
_space_group_IT_number           182
_symmetry_cell_setting           hexagonal
_symmetry_Int_Tables_number      182
_symmetry_space_group_name_Hall  'P 6c 2c'
_symmetry_space_group_name_H-M   'P 63 2 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            4
_cell_length_a                   10.2579(10)
_cell_length_b                   10.2579(10)
_cell_length_c                   13.554(5)
_cell_volume                     1235.1
_refine_ls_R_factor_all          0.061
_cod_database_code               2002155
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
y-x,-x,z
y,x,-z
x-y,-y,-z
-x,y-x,-z
-x,-y,1/2+z
y,y-x,1/2+z
x-y,x,1/2+z
-y,-x,1/2-z
y-x,y,1/2-z
x,x-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+ 6 g 0.73556(4) 0. 0.5 1. 0 d
Pb2 Pb2+ 6 g 0. 0.38718(5) 0.5 1. 0 d
Te1 Te6+ 4 f 0.6667 0.3333 0.59808(6) 1. 0 d
Te2 Te6+ 6 h 0.33482(9) 0.16741(5) 0.25 1. 0 d
Ni1 Ni2+ 4 f 0.6667 0.3333 0.38830(13) 1. 0 d
Ni2 Ni2+ 6 h 0.16905(11) -0.16905(11) 0.25 1. 0 d
Ni3 Ni2+ 6 h 0.49696(13) 0.50304(13) 0.25 1. 0 d
Ni4 Ni2+ 2 b 0. 0. 0.25 1. 0 d
O1 O2- 12 i 0.3357(6) 0.0084(8) 0.1716(4) 1. 0 d
O2 O2- 12 i 0.1779(6) 0.0123(8) 0.3281(4) 1. 0 d
O3 O2- 12 i 0.4843(8) 0.3271(9) 0.1697(6) 1. 0 d
O4 O2- 12 i 0.1704(7) -0.3299(9) 0.1644(5) 1. 0 d
O5 O2- 12 i 0.6537(6) 0.1789(6) 0.5025(6) 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Pb2+ 2.000
Te6+ 6.000
Ni2+ 2.000
O2- -2.000
