#------------------------------------------------------------------------------
#$Date: 2016-02-14 05:40:26 +0100 (dom 14 de feb de 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/1/51/14/1511411.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_1511411
loop_
_publ_author_name
'Kasper, J.S.'
'Naslain, R.'
_publ_section_title
;
 The crystal structure of the phi-phase in the boron-sodium system
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              150
_journal_page_last               151
_journal_paper_doi               10.1016/0022-4596(70)90006-X
_journal_volume                  1
_journal_year                    1970
_chemical_formula_sum            'B15 Na'
_chemical_name_systematic        'Na B15'
_space_group_IT_number           74
_symmetry_space_group_name_Hall  '-I 2c 2'
_symmetry_space_group_name_H-M   'I m a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.847
_cell_length_b                   8.415
_cell_length_c                   10.298
_cell_volume                     506.687
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            boron0-1_555.cif
_cod_data_source_block           B15Na1
_cod_original_cell_volume        506.6874
_cod_original_sg_symbol_Hall     '-I 2b 2 (-x,z,y)'
_cod_original_formula_sum        'B15 Na1'
_cod_database_code               1511411
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z+1/2
x,-y,-z
-x,-y,z+1/2
-x,-y,-z
x,-y,z-1/2
-x,y,z
x,y,-z-1/2
x+1/2,y+1/2,z+1/2
-x+1/2,y+1/2,-z+1
x+1/2,-y+1/2,-z+1/2
-x+1/2,-y+1/2,z+1
-x+1/2,-y+1/2,-z+1/2
x+1/2,-y+1/2,z
-x+1/2,y+1/2,z+1/2
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 0.2475 0.0364 0.082 1 0.0
Na1 Na+1 0 0.3386 0.75 1 0.0
B6 B 0 0.2541 0.25 1 0.0
B3 B 0 0.1529 0.1011 1 0.0
B4 B 0 -0.0472 0.1641 1 0.0
B5 B 0 0.3941 0.145 1 0.0
B2 B 0.1609 0.8343 0.0484 1 0.0
