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#$Date: 2015-01-27 19:58:39 +0000 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/2/00/23/2002360.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_2002360
loop_
_publ_author_name
'Waburg, M'
'Mueller-Buschbaum, Hk'
_publ_section_title
;
Kristallchemische Untersuchungen an den Phasen: (I) Zn (V0.12 Nb0.88)2
O6, (II) Zn (V0.28 Ta0.72)2 O6 und (III) Zn (Nb0.58 Ta0.42)2 O6
;
_journal_name_full
;
Zeitschrift fuer Anorganische und Allgemeine Chemie
;
_journal_page_first              31
_journal_page_last               36
_journal_paper_doi               10.1002/zaac.19865421106
_journal_volume                  542
_journal_year                    1986
_chemical_formula_structural     'Zn (V0.28 Ta0.72)2 O6'
_chemical_formula_sum            'O6 Ta1.44 V0.56 Zn'
_chemical_name_systematic
;
Zinc vanadium tantalum oxide (1/0.56/1.44/6)
;
_space_group_IT_number           136
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      136
_symmetry_space_group_name_Hall  '-P 4n 2n'
_symmetry_space_group_name_H-M   'P 42/m n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   4.712(2)
_cell_length_b                   4.712(2)
_cell_length_c                   9.191(2)
_cell_volume                     204.1
_refine_ls_R_factor_all          0.052
_[local]_cod_chemical_formula_sum_orig 'O6 Ta1.44 V.56 Zn'
_cod_database_code               2002360
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
1/2+x,1/2-y,1/2+z
1/2-x,1/2+y,1/2+z
-x,-y,-z
x,y,-z
1/2-x,1/2+y,1/2-z
1/2+x,1/2-y,1/2-z
y,x,z
-y,-x,z
1/2-y,1/2+x,1/2+z
1/2+y,1/2-x,1/2+z
-y,-x,-z
y,x,-z
1/2+y,1/2-x,1/2-z
1/2-y,1/2+x,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
Zn1 Zn2+ 2 a 0. 0. 0. 1. 0 d
V1 V5+ 4 e 0. 0. 0.3324(1) 0.28 0 d
Ta1 Ta5+ 4 e 0. 0. 0.3324(1) 0.72 0 d
O1 O2- 4 f 0.307(5) 0.307(5) 0. 1. 0 d
O2 O2- 8 j 0.297(3) 0.297(3) 0.325(2) 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Zn2+ 2.000
V5+ 5.000
Ta5+ 5.000
O2- -2.000