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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/1/53/75/1537543.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_1537543
loop_
_publ_author_name
'Kononova, N.G.'
'Kokh, A.E.'
'Bekker, T.B.'
'Furmanova, N.G.'
'Molchanov, V.N.'
'Maksimov, B.A.'
'Fedorov, P.P.'
_publ_section_title
;
 Growth and structure of barium sodium orthoborate Na Ba B O3 crystals
;
_journal_name_full               Kristallografiya
_journal_page_first              1114
_journal_page_last               1116
_journal_volume                  48
_journal_year                    2003
_chemical_formula_sum            'B Ba Na O3'
_chemical_name_systematic        'Na Ba (B O3)'
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 98.95
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.561
_cell_length_b                   5.561
_cell_length_c                   6.173
_cell_volume                     324.214
_citation_journal_id_ASTM        KRISAJ
_cod_data_source_file            Kononova_KRISAJ_2003_478.cif
_cod_data_source_block           B1Ba1Na1O3
_cod_original_cell_volume        324.2144
_cod_original_formula_sum        'B1 Ba1 Na1 O3'
_cod_database_code               1537543
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z
-x,-y,-z
x,-y,z
x+1/2,y+1/2,z
-x+1/2,y+1/2,-z
-x+1/2,-y+1/2,-z
x+1/2,-y+1/2,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
B1 B+3 0.8321 0 0.2426 1 0.0
O1 O-2 0.7022 0 0.3205 1 0.0
Ba1 Ba+2 0.16655 0 0.24335 1 0.0
O2 O-2 0.8978 0.7876 0.2096 1 0.0
Na1 Na+1 0 0.5 0 1 0.0
Na2 Na+1 0 0.5 0.5 1 0.0
