#------------------------------------------------------------------------------
#$Date: 2009-11-21 12:50:34 +0200 (Sat, 21 Nov 2009) $
#$Revision: 900 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1000057.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_1000057

_audit_creation_method             'generated by DC-CRISMAT'

_chemical_name_systematic          'Lanthanum boride (1/6)'
_chemical_formula_structural       'La B6'
_chemical_formula_sum              'B6 La'

_publ_section_title
;
X-ray structural investigation of single crystals of lanthanum, cerium,
and samarium hexaborides
;
loop_
_publ_author_name
  'Eliseev, A A'
  'Efremmov, V A'
  'Kuz'micheva, G M'
  'Konovalova, E S'
  'Lazorenko, V I'
  'Paderno, Y B'
  'Khlyustova, S Y'
_journal_name_full                 'Kristallografiya'
_journal_coden_ASTM                KRISAJ
_journal_volume                    31
_journal_year                      1986
_journal_page_first                803
_journal_page_last                 805

_cell_length_a                     4.1570(1)
_cell_length_b                     4.1570(1)
_cell_length_c                     4.1570(1)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       71.8
_cell_formula_units_Z              1

_exptl_crystal_density_meas        4.71(0)

_symmetry_space_group_name_H-M     'P m -3 m'
_symmetry_Int_Tables_number        221
_symmetry_cell_setting             cubic

loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  'y,z,x'
  'z,x,y'
  'x,z,y'
  'y,x,z'
  'z,y,x'
  'x,-y,-z'
  'y,-z,-x'
  'z,-x,-y'
  'x,-z,-y'
  'y,-x,-z'
  'z,-y,-x'
  '-x,y,-z'
  '-y,z,-x'
  '-z,x,-y'
  '-x,z,-y'
  '-y,x,-z'
  '-z,y,-x'
  '-x,-y,z'
  '-y,-z,x'
  '-z,-x,y'
  '-x,-z,y'
  '-y,-x,z'
  '-z,-y,x'
  '-x,-y,-z'
  '-y,-z,-x'
  '-z,-x,-y'
  '-x,-z,-y'
  '-y,-x,-z'
  '-z,-y,-x'
  '-x,y,z'
  '-y,z,x'
  '-z,x,y'
  '-x,z,y'
  '-y,x,z'
  '-z,y,x'
  'x,-y,z'
  'y,-z,x'
  'z,-x,y'
  'x,-z,y'
  'y,-x,z'
  'z,-y,x'
  'x,y,-z'
  'y,z,-x'
  'z,x,-y'
  'x,z,-y'
  'y,x,-z'
  'z,y,-x'

loop_
_atom_type_symbol
_atom_type_oxidation_number
  La0    0.000
  B0     0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
  La1   La0    1 a 0. 0. 0. 1.  0 d
  B1    B0     6 f 0.1975(1) 0.5 0.5 1.  0 d