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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/00/1530086.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_1530086
loop_
_publ_author_name
'Hibble, S.J.'
'Cheetham, A.K.'
'Koehler, J.'
'Simon, A.'
_publ_section_title
;
 The Characterization by Analytical Electron Microscopy and Single Crystal
 X-Ray Diffraction of Ba Nb8 O14, A Metal Oxide Containing Octahedral Nb6
 O12 Clusters
;
_journal_name_full               'Journal of the Less-Common Metals'
_journal_page_first              271
_journal_page_last               283
_journal_volume                  154
_journal_year                    1989
_chemical_formula_sum            'Ba Nb8 O14'
_chemical_name_systematic        'Ba (Nb8 O14)'
_space_group_IT_number           64
_symmetry_space_group_name_Hall  '-C 2ac 2'
_symmetry_space_group_name_H-M   'C m c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   23.8
_cell_length_b                   10.33
_cell_length_c                   9.325
_cell_volume                     2292.589
_citation_journal_id_ASTM        JCOMAH
_cod_data_source_file            Hibble_JCOMAH_1989_1829.cif
_cod_data_source_block           Ba1Nb8O14
_cod_original_cell_volume        2292.588
_cod_original_formula_sum        'Ba1 Nb8 O14'
_cod_database_code               1530086
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x,-y,-z
-x+1/2,y,-z+1/2
-x,-y,-z
x-1/2,y,-z-1/2
-x,y,z
x-1/2,-y,z-1/2
x+1/2,y+1/2,z
-x+1,-y+1/2,z+1/2
x+1/2,-y+1/2,-z
-x+1,y+1/2,-z+1/2
-x+1/2,-y+1/2,-z
x,y+1/2,-z-1/2
-x+1/2,y+1/2,z
x,-y+1/2,z-1/2
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Nb5 Nb+3 0.24675 0.3155 -0.1389 0.504 0.0
O7 O-2 0.1884 -0.0932 -0.2466 1 0.0
O4 O-2 -0.0626 0.2535 -0.0087 1 0.0
O6 O-2 0.1252 0.3439 0.2415 1 0.0
Ba1 Ba+2 0.63531 0 0 1 0.0
O1 O-2 0 0 0 1 0.0
O8 O-2 0.1883 0.2441 -0.0016 1 0.0
O3 O-2 0 0.5 0 1 0.0
Nb2 Nb+3 0.18266 0.07482 -0.124 1 0.0
O10 O-2 0.25 0.1633 0.75 1 0.0
O9 O-2 0.247 0 0 1 0.0
O2 O-2 0 0.1839 -0.2309 1 0.0
Nb4 Nb+3 0 0.3398 -0.1169 1 0.0
O5 O-2 0.062 0.5844 0.2416 1 0.0
Nb3 Nb+3 0.06664 0.07739 -0.12526 1 0.0
Nb1 Nb+3 0.12225 0.1637 0.11814 1 0.0
