#------------------------------------------------------------------------------
#$Date: 2018-09-27 06:13:35 +0200 (jue 27 de sep de 2018) $
#$Revision: 211196 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/49/1534920.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_1534920
loop_
_publ_author_name
'Sirotinkin, S.P.'
'Sirotinkin, V.P.'
'Trunov, V.K.'
_publ_section_title
;
 Structure of low temperature modification of Ba Nb2 O6
;
_journal_name_full               'Zhurnal Neorganicheskoi Khimii'
_journal_page_first              1609
_journal_page_last               1611
_journal_volume                  35
_journal_year                    1990
_chemical_formula_sum            'Ba Nb2 O6'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.35
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   3.952
_cell_length_b                   6.049
_cell_length_c                   10.434
_cell_volume                     249.427
_citation_journal_id_ASTM        ZNOKAQ
_cod_data_source_file            Sirotinkin_ZNOKAQ_1990_1013.cif
_cod_data_source_block           Ba1Nb2O6
_cod_original_cell_volume        249.4269
_cod_original_formula_sum        'Ba1 Nb2 O6'
_cod_database_code               1534920
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z+1/2
-x,-y,-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
Ba1 Ba+2 0 0.5 0.5 1 0.0
O1 O-2 0.499 0.198 0.464 1 0.0
O3 O-2 0.007 0.084 0.65 1 0.0
Nb1 Nb+5 0.531 0.0465 0.6504 1 0.0
O2 O-2 0.501 0.384 0.697 1 0.0
