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#$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/2/00/21/2002146.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_2002146
loop_
_publ_author_name
'Mueller-Buschbaum, H'
'Wulff, L'
_publ_section_title
;
Zur Kristallchemie der Kupfer(II)-Zink-Tellurate Cu5 Zn4 Te3 O18 und
Cu1.5 Zn1.5 Te O6, mit einer Notiz ueber Cu1.5 Co1.5 Te O6
;
_journal_name_full
;
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie,
Organische Chemie (42,1987-)
;
_journal_page_first              53
_journal_page_last               57
_journal_volume                  53
_journal_year                    1998
_chemical_formula_analytical     'Cu1.6 Zn1.1 Te O5.7'
_chemical_formula_structural     'Cu5 Zn4 (Te O6)3'
_chemical_formula_sum            'Cu5 O18 Te3 Zn4'
_chemical_name_systematic        'Pentacopper tetrazinc tris(tellurate)'
_space_group_IT_number           5
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      5
_symmetry_space_group_name_Hall  'C 2y'
_symmetry_space_group_name_H-M   'C 1 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 93.272(15)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.8343(15)
_cell_length_b                   8.8012(7)
_cell_length_c                   10.375(2)
_cell_volume                     1352.3
_refine_ls_R_factor_all          0.0795
_cod_database_code               2002146
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z
1/2+x,1/2+y,z
1/2-x,1/2+y,-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
Cu1 Cu2+ 2 a 0. 0. 0. 1. 0 d
Te1 Te6+ 4 c 0.00042(4) 0.80648(7) 0.25088(6) 1. 0 d
Te2 Te6+ 4 c 0.163250(11) 0.30258(2) 0.05387(2) 1. 0 d
Te3 Te6+ 4 c 0.163120(12) 0.30686(2) 0.55379(2) 1. 0 d
Cu2 Cu2+ 4 c 0.16261(3) 0.07380(6) 0.80998(4) 1. 0 d
Cu3 Cu2+ 4 c 0.16474(3) 0.51772(7) 0.30603(5) 1. 0 d
Cu4 Cu2+ 4 c 0.13793(3) 0.66511(4) 0.00775(4) 1. 0 d
Cu5 Cu2+ 4 c 0.14100(3) 0.94779(5) 0.50851(4) 1. 0 d
Cu6 Cu2+ 2 b 0. 0.60897(7) 0.5 1. 0 d
Zn1 Zn2+ 4 c 0.02292(3) 0.45919(4) 0.79739(4) 1. 0 d
Zn2 Zn2+ 4 c 0.02457(3) 0.15308(4) 0.30023(4) 1. 0 d
Zn3 Zn2+ 4 c 0.20410(2) 0.66799(4) 0.67679(4) 1. 0 d
Zn4 Zn2+ 4 c 0.20363(3) 0.94271(4) 0.17789(4) 1. 0 d
O1 O2- 4 c 0.07727(13) 0.3031(2) 0.6854(2) 1. 0 d
O2 O2- 4 c 0.09840(12) 0.4646(2) 0.4570(2) 1. 0 d
O3 O2- 4 c 0.24312(14) 0.7817(2) 0.0685(2) 1. 0 d
O4 O2- 4 c 0.1002(2) 0.1486(3) -0.0450(2) 1. 0 d
O5 O2- 4 c 0.0752(2) 0.3109(3) 0.1812(2) 1. 0 d
O6 O2- 4 c -0.07333(14) 0.6375(2) 0.3054(2) 1. 0 d
O7 O2- 4 c 0.0725(2) 0.6474(3) 0.1819(2) 1. 0 d
O8 O2- 4 c -0.0706(2) 0.9688(2) 0.3197(2) 1. 0 d
O9 O2- 4 c 0.25350(14) 0.3236(2) 0.4229(2) 1. 0 d
O10 O2- 4 c 0.0740(2) 0.9639(3) 0.1897(3) 1. 0 d
O11 O2- 4 c 0.1081(2) 0.1475(2) 0.4536(2) 1. 0 d
O12 O2- 4 c 0.1055(2) 0.4584(2) -0.0487(2) 1. 0 d
O13 O2- 4 c 0.07075(13) 0.8275(2) -0.0897(2) 1. 0 d
O14 O2- 4 c 0.0691(2) 0.7841(3) 0.4068(3) 1. 0 d
O15 O2- 4 c 0.2661(2) 0.6556(3) 0.8481(3) 1. 0 d
O16 O2- 4 c 0.25902(14) 0.9552(2) 0.3568(2) 1. 0 d
O17 O2- 4 c 0.22504(13) 0.4568(2) 0.1505(2) 1. 0 d
O18 O2- 4 c 0.2261(2) 0.1414(3) 0.6443(3) 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Cu2+ 2.000
Te6+ 6.000
Zn2+ 2.000
O2- -2.000
