data_9009881
_chemical_name 'LiBO2'
loop_
_publ_author_name
'Marezio M'
'Remeika J P'
_journal_name_full "Journal of Chemical Physics"
_journal_volume 44
_journal_year 1966
_journal_page_first 3348
_journal_page_last 3353
_publ_section_title
;
 Polymorphism of LiMO2 compounds and high-pressure single-crystal synthetis of L
 Note: this is the gamma phase, synthesized at 15 kbar and 950 C
;
_chemical_formula_sum 'Li B O2'
_cell_length_a 4.1961
_cell_length_b 4.1961
_cell_length_c 6.5112
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 114.644
_symmetry_space_group_name_H-M 'I -4 2 d'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2+x,1/2+y,1/2+z'
  '1/2-y,-x,3/4+z'
  '-y,1/2-x,1/4+z'
  'y,-x,-z'
  '1/2+y,1/2-x,1/2-z'
  '-x,1/2+y,1/4-z'
  '1/2-x,+y,3/4-z'
  '-x,-y,z'
  '1/2-x,1/2-y,1/2+z'
  '1/2+y,x,3/4+z'
  '+y,1/2+x,1/4+z'
  '-y,x,-z'
  '1/2-y,1/2+x,1/2-z'
  'x,1/2-y,1/4-z'
  '1/2+x,-y,3/4-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Li   0.00000   0.00000   0.50000
B   0.00000   0.00000   0.00000
O   0.15740   0.25000   0.12500