#------------------------------------------------------------------------------
#$Date: 2018-09-27 06:13:35 +0200 (jue 27 de sep de 2018) $
#$Revision: 211196 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/86/1528696.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_1528696
loop_
_publ_author_name
'Liu, Y.'
'Withers, R.L.'
'Whichello, A.P.'
'Noren, L.'
'Ting, V.'
'Fitz Gerald, J.D.'
'Brink, F.'
_publ_section_title
;
 A combined diffraction and dielectric properties investigation of Ba3 Mn
 Nb2 O9 complex perovskites
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              3389
_journal_page_last               3395
_journal_volume                  178
_journal_year                    2005
_chemical_formula_sum            'Ba3 Mn Nb2 O9'
_space_group_IT_number           164
_symmetry_space_group_name_Hall  '-P 3 2"'
_symmetry_space_group_name_H-M   'P -3 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   5.81249
_cell_length_b                   5.81249
_cell_length_c                   7.14368
_cell_volume                     209.015
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Liu_JSSCBI_2005_740.cif
_cod_data_source_block           Ba3Mn1Nb2O9
_cod_original_cell_volume        209.0148
_cod_original_formula_sum        'Ba3 Mn1 Nb2 O9'
_cod_database_code               1528696
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
y,x,-z
-x,-x+y,-z
x-y,-y,-z
-x,-y,-z
y,-x+y,-z
x-y,x,-z
-y,-x,z
x,x-y,z
-x+y,y,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
Nb1 Nb+5 0.3333 0.6667 0.174 1 0.0
Mn1 Mn+2 0 0 0.5 1 0.0
Ba2 Ba+2 0 0 0 1 0.0
Ba1 Ba+2 0.3333 0.6667 0.6659 1 0.0
O1 O-2 0.5 0 0 1 0.0
O2 O-2 0.1732 0.3464 0.3216 1 0.0
