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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/87/1528754.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_1528754
loop_
_publ_author_name
'Negas, T.'
'Roth, R.S.'
'Brower, W.S.'
'Parker, S.'
_publ_section_title
;
 Crystal chemistry of lithium in octahedrally coordinated structures. I.
 Synthesis of Ba8 (Me6 Li2) O24 (Me = Nb or Ta) and Ba10 (W6 Li4) O30. II.
 The tetragonal bronze phase in the system Ba O - Nb2 O5 Li2 O
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              1
_journal_page_last               13
_journal_volume                  8
_journal_year                    1973
_chemical_formula_sum            'Ba4 Li O12 Ta3'
_chemical_name_systematic        'Li Ba4 Ta3 O12'
_space_group_IT_number           186
_symmetry_space_group_name_Hall  'P 6c -2c'
_symmetry_space_group_name_H-M   'P 63 m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   5.802
_cell_length_b                   5.802
_cell_length_c                   19.08499
_cell_volume                     556.388
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Negas_JSSCBI_1973_1993.cif
_cod_data_source_block           Ba4Li1O12Ta3
_cod_original_cell_volume        556.3883
_cod_original_formula_sum        'Ba4 Li1 O12 Ta3'
_cod_database_code               1528754
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x-y,x,z+1/2
-y,x-y,z
-x,-y,z+1/2
-x+y,-x,z
y,-x+y,z+1/2
y,x,z+1/2
-x+y,y,z
-x,-x+y,z+1/2
-y,-x,z
x-y,-y,z+1/2
x,x-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
O4 O-2 0.8333 -0.8333 0.75 1 0.0
O3 O-2 0.8333 -0.8333 0.375 1 0.0
Ba3 Ba+2 0.3333 0.6666 0.375 1 0.0
Ta1 Ta+5 0 0 0.3125 1 0.0
Ba4 Ba+2 0.3333 0.6666 0.75 1 0.0
O2 O-2 0.8333 -0.8333 0.125 1 0.0
Ba1 Ba+2 0 0 0 1 0.0
Li1 Li+1 0 0 0.1875 1 0.0
Ta3 Ta+5 0.3333 0.6666 0.9375 1 0.0
O1 O-2 0.5 -0.5 0 1 0.0
Ta2 Ta+5 0.3333 0.6666 0.5625 1 0.0
Ba2 Ba+2 0.3333 0.6666 0.125 1 0.0
