#------------------------------------------------------------------------------
#$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/2/00/27/2002792.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_2002792
loop_
_publ_author_name
'Mueller-Buschbaum, Hk'
'Wedel, B'
_publ_section_title
;
Zur Kenntnis eines Barium-Oxoniobat-Tellurats: Ba2 Nb2 Te O10
;
_journal_name_full
;
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie,
Organische Chemie (42,1987-)
;
_journal_page_first              1407
_journal_page_last               1410
_journal_volume                  51
_journal_year                    1996
_chemical_formula_structural     'Ba2 (Nb2 Te O10)'
_chemical_formula_sum            'Ba2 Nb2 O10 Te'
_chemical_name_systematic        'Dibarium diniobotellurate'
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.242(4)
_cell_length_b                   12.433(3)
_cell_length_c                   9.932(3)
_cell_volume                     894.3
_refine_ls_R_factor_all          0.0527
_cod_database_code               2002792
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2+x,1/2-y,-z
-x,1/2+y,1/2-z
1/2-x,-y,1/2+z
-x,-y,-z
1/2-x,1/2+y,z
x,1/2-y,1/2+z
1/2+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
Ba1 Ba2+ 8 c 0.01572(3) 0.35845(2) 0.60716(3) 1. 0 d
Nb1 Nb5+ 8 c 0.29229(5) 0.60418(2) 0.74457(3) 1. 0 d
Te1 Te6+ 4 b 0.5 0.5 0.5 1. 0 d
O1 O2- 8 c 0.0554(4) 0.5838(2) 0.6672(3) 1. 0 d
O2 O2- 8 c 0.4219(4) 0.6395(2) 0.5699(3) 1. 0 d
O3 O2- 8 c 0.3790(4) 0.4450(2) 0.6557(3) 1. 0 d
O4 O2- 8 c 0.2663(4) 0.4854(2) 0.4048(3) 1. 0 d
O5 O2- 8 c 0.2810(4) 0.7405(3) 0.7985(4) 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Ba2+ 2.000
Nb5+ 5.000
Te6+ 6.000
O2- -2.000
