#------------------------------------------------------------------------------
#$Date: 2014-07-11 17:04:56 +0100 (Fri, 11 Jul 2014) $
#$Revision: 120072 $
#$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
_chemical_name_systematic          'Tetrabarium cobalt decatantalum oxide'
_chemical_formula_structural       'Ba4 Co Ta10 O30'
_chemical_formula_sum              'Ba4 Co O30 Ta10'
_publ_section_title
;
Ein neues Oxotantalat mit bronzeaehnlicher Kristallstruktur: Ba4 Co
Ta10 O30
;
loop_
_publ_author_name
  'Jasper-Toennies, B'
  'Mueller-Buschbaum, Hk'
_journal_name_full
;
Monatshefte fuer Chemie und verwandte Teile anderer Wissenschaften
(109,1978-)
;
_journal_volume                    115
_journal_year                      1984
_journal_page_first                1151
_journal_page_last                 1157
_cell_length_a                     3.905(1)
_cell_length_b                     10.203(2)
_cell_length_c                     14.954(2)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       595.8
_cell_formula_units_Z              1
_symmetry_space_group_name_H-M     'A m m 2'
_symmetry_Int_Tables_number        38
_symmetry_cell_setting             orthorhombic
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_type_symbol
_atom_type_oxidation_number
  Ta5+   5.000
  Ba2+   2.000
  Co2+   2.000
  O2-   -2.000
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
_refine_ls_R_factor_all            0.094
_cod_database_code 2002323
_journal_paper_doi 10.1007/BF00809346