#------------------------------------------------------------------------------
#$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/2/00/23/2002323.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_2002323
loop_
_publ_author_name
'Jasper-Toennies, B'
'Mueller-Buschbaum, Hk'
_publ_section_title
;
Ein neues Oxotantalat mit bronzeaehnlicher Kristallstruktur: Ba4 Co
Ta10 O30
;
_journal_name_full
;
Monatshefte fuer Chemie und verwandte Teile anderer Wissenschaften
(109,1978-)
;
_journal_page_first              1151
_journal_page_last               1157
_journal_paper_doi               10.1007/BF00809346
_journal_volume                  115
_journal_year                    1984
_chemical_formula_structural     'Ba4 Co Ta10 O30'
_chemical_formula_sum            'Ba4 Co O30 Ta10'
_chemical_name_systematic        'Tetrabarium cobalt decatantalum oxide'
_space_group_IT_number           38
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      38
_symmetry_space_group_name_Hall  'A 2 -2'
_symmetry_space_group_name_H-M   'A m m 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   3.905(1)
_cell_length_b                   10.203(2)
_cell_length_c                   14.954(2)
_cell_volume                     595.8
_refine_ls_R_factor_all          0.094
_cod_database_code               2002323
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
-x,y,z
x,-y,z
x,1/2+y,1/2+z
-x,1/2-y,1/2+z
-x,1/2+y,1/2+z
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
Ta1 Ta5+ 2 a 0. 0. 0.2027(5) 1. 0 d
Ta2 Ta5+ 4 d 0. 0.3155(2) 0.0769(4) 1. 0 d
Ta3 Ta5+ 4 d 0. 0.3156(3) 0.3304(4) 1. 0 d
Ba1 Ba2+ 2 b 0.5 0. 0.4044(3) 1. 0 d
Ba2 Ba2+ 2 b 0.5 0. 0. 1. 0 d
Co1 Co2+ 2 b 0.5 0. 0.7018(25) 0.5 0 d
O1 O2- 2 b 0.5 0. 0.207(5) 1. 0 d
O2 O2- 4 e 0.5 0.316(2) 0.048(2) 1. 0 d
O3 O2- 4 e 0.5 0.340(4) 0.314(3) 1. 0 d
O4 O2- 4 d 0. 0.141(4) 0.112(3) 1. 0 d
O5 O2- 4 d 0. 0.129(2) 0.304(2) 1. 0 d
O6 O2- 4 d 0. 0.245(8) 0.448(5) 1. 0 d
O7 O2- 4 d 0. 0.339(4) 0.317(3) 1. 0 d
O8 O2- 2 a 0. 0. 0.870(3) 1. 0 d
O9 O2- 2 a 0. 0. 0.529(2) 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Ta5+ 5.000
Ba2+ 2.000
Co2+ 2.000
O2- -2.000
