#------------------------------------------------------------------------------
#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1000056.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_Mg2B14

_publ_section_title                
;
Crystal structure of magnesium heptaboride Mg2 B14
;

_journal_name_full                 'Journal of the Less-Common Metals'
_journal_coden_ASTM                JCOMAH
_journal_volume                    82
_journal_year                      1981
_journal_page_first                325


_chemical_formula_sum              'B14 Mg1.93'
_cell_length_a                     5.970(3)
_cell_length_b                     8.125(3)
_cell_length_c                     10.480(5)
_cell_angle_alpha                      90.0
_cell_angle_beta                       90.0
_cell_angle_gamma                      90.0

_symmetry_space_group_name_H-M     'I m a m'


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
  B1    B0    16 j 0.250(1) 0.0407(9) 0.0830(7) 1.  
  B2    B0    16 j 0.160(1) 0.834(1) 0.0671(6) 1.  
  B3    B0     8 h 0. 0.181(1) 0.081(1) 1.  
  B4    B0     8 h 0. -0.028(1) 0.1644(8) 1.  
  B5    B0     8 h 0. 0.382(1) 0.142(1) 1.  
  Mg1   Mg0    4 e 0. 0.3664(5) 0.75 0.930(15)  
  Mg2   Mg0    4 d 0.25 0.25 0.25 1.