#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/54/10/1541015.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_1541015
loop_
_publ_author_name
'Svensson, G.'
'Koehler, J.'
'Simon, A.'
_publ_section_title
;
 BaNb7O9, ein neues Oxoniobate mit Doppelschichten spitzenverknuepfter
 Nb6-Oktaeder
;
_journal_name_full               'Angewandte Chemie (German Edition)'
_journal_page_first              192
_journal_page_last               194
_journal_volume                  104
_journal_year                    1992
_chemical_formula_sum            'Ba Nb7 O9'
_chemical_name_systematic        'Ba (Nb7 O9)'
_space_group_IT_number           123
_symmetry_space_group_name_Hall  '-P 4 2'
_symmetry_space_group_name_H-M   'P 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   4.195
_cell_length_b                   4.195
_cell_length_c                   12.426
_cell_volume                     218.673
_citation_journal_id_ASTM        ANCEAD
_cod_data_source_file            Svensson_ANCEAD_1992_1511.cif
_cod_data_source_block           Ba1Nb7O9
_cod_original_cell_volume        218.6731
_cod_original_formula_sum        'Ba1 Nb7 O9'
_cod_database_code               1541015
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x,z
-x,-y,z
y,-x,z
x,-y,-z
y,x,-z
-x,y,-z
-y,-x,-z
-x,-y,-z
y,-x,-z
x,y,-z
-y,x,-z
-x,y,z
-y,-x,z
x,-y,z
y,x,z
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
Nb3 Nb+2 0.5 0.5 0.1681 1 0.0
Ba1 Ba+2 0 0 0 1 0.0
Nb1 Nb+2 0.5 0.5 0.5 1 0.0
O3 O-2 0 0.5 0.16 1 0.0
O4 O-2 0.5 0.5 0 1 0.0
O2 O-2 0 0 0.335 1 0.0
Nb2 Nb+2 0.5 0 0.3291 1 0.0
O1 O-2 0 0.5 0.5 1 0.0
