#------------------------------------------------------------------------------
#$Date: 2016-02-14 15:26:36 +0100 (dom 14 de feb de 2016) $
#$Revision: 176435 $
#$URL: svn://www.crystallography.net/cod/cif/2/00/13/2001366.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_2001366
loop_
_publ_author_name
'Reis, K. P.'
'Jacobson, A. J.'
_publ_section_title
;
 Structure of Ba₄NaSb₃O₁₂ by neutron powder diffraction
;
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1585
_journal_page_last               1588
_journal_paper_doi               10.1107/S0108270193002379
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'Ba4 Na O12 Sb3'
_chemical_formula_weight         1129.6
_symmetry_cell_setting           cubic
_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                   8.2785(2)
_cell_length_b                   8.2785(2)
_cell_length_c                   8.2785(2)
_cell_measurement_temperature    298
_cell_volume                     567.36(2)
_diffrn_measurement_device       'TOF detector banks at +-90°, +-148°'
_diffrn_radiation_probe          neutron
_diffrn_radiation_type           'Neutron TOF'
_exptl_crystal_density_diffrn    6.62
_refine_ls_number_parameters     41
_refine_ls_number_reflns         303
_refine_ls_R_factor_obs          '7.25 (profile)'
_refine_ls_wR_factor_obs         '10.63 (weighted profile)'
_cod_data_source_file            st1048.cif
_cod_data_source_block           st1048_structure_1_of_1
_cod_original_cell_volume        566.22
_cod_original_formula_sum        'Ba4 Na1 O12 Sb3'
_cod_database_code               2001366
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Ba1 .25 .25 .25 0.00964(2)
Sb1 .5 .0 .0 0.00546(2)
Na1 .0 .0 .0 0.01082(9)
O1 .5 .0 .25 ?
O2 .27140(10) .0 .0 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
Ba1 O1 2.9270(10) yes
Ba1 O2 2.9320(10) yes
Na1 O2 2.2470(10) yes
Sb1 O1 2.0680(10) yes
Sb1 O2 1.8910(10) yes
