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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/2/10/69/2106996.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2106996
loop_
_publ_author_name
'Jacobson, A.J.'
'Collins, B.M.'
'Fender, B.E.F.'
_publ_section_title
;
 A powder neutron-diffraction determination of the structure of Ba4 Sb3 Li
 O12: The preparation and structure of the perovskite-related compounds
 Ba4 M3 Li O12 (M = Sb, Bi) and Ba5 M3 Li2 O15-x (M = Te, U)
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              1705
_journal_page_last               1711
_journal_volume                  30
_journal_year                    1974
_chemical_formula_sum            'Ba4 Li O12 Sb3'
_chemical_name_systematic        'Ba4 Li (Sb O4)3'
_space_group_IT_number           229
_symmetry_space_group_name_Hall  '-I 4 2 3'
_symmetry_space_group_name_H-M   'I m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   8.217
_cell_length_b                   8.217
_cell_length_c                   8.217
_cell_volume                     554.804
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Jacobson_ACBCAR_1974_1778.cif
_cod_data_source_block           Ba4Li1O12Sb3
_cod_original_cell_volume        554.8044
_cod_original_formula_sum        'Ba4 Li1 O12 Sb3'
_cod_database_code               2106996
loop_
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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
O2 O-2 0.2678 0 0 1 0.0
Sb1 Sb+5 0 0.5 0.5 0.99 0.0
Li1 Li+1 0 0.5 0.5 0.01 0.0
Sb2 Sb+5 0 0 0 0.04 0.0
O1 O-2 0.25 0 0.5 1 0.0
Li2 Li+1 0 0 0 0.96 0.0
Ba1 Ba+2 0.25 0.25 0.25 1 0.0
