The material structure described by LiBeAs is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. Li(1) is bonded in a 5-coordinate geometry to five equivalent As(1) atoms. Be(1) is bonded to four equivalent As(1) atoms to form a mixture of distorted edge and corner-sharing BeAs4 tetrahedra. As(1) is bonded in a 9-coordinate geometry to five equivalent Li(1) and four equivalent Be(1) atoms. is represented by the CIF file [CIF]
data_LiBeAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.737
_cell_length_b   3.737
_cell_length_c   6.165
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   86.077
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Li  Li0  1  0.250  0.250  0.347  1.0
  Li  Li1  1  0.750  0.750  0.653  1.0
  Be  Be2  1  0.250  0.750  0.000  1.0
  Be  Be3  1  0.750  0.250  0.000  1.0
  As  As4  1  0.250  0.250  0.777  1.0
  As  As5  1  0.750  0.750  0.223  1.0
[/CIF]
.
The material structure described by LiBeAs is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. Li(1) is bonded in a 5-coordinate geometry to five equivalent As(1) atoms. Be(1) is bonded to four equivalent As(1) atoms to form a mixture of distorted edge and corner-sharing BeAs4 tetrahedra. As(1) is bonded in a 9-coordinate geometry to five equivalent Li(1) and four equivalent Be(1) atoms. is represented by the CIF file [CIF]
data_LiBeAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.737
_cell_length_b   3.737
_cell_length_c   6.165
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   86.077
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Li  Li0  1  0.250  0.250  0.347  1.0
  Li  Li1  1  0.750  0.750  0.653  1.0
  Be  Be2  1  0.250  0.750  0.000  1.0
  Be  Be3  1  0.750  0.250  0.000  1.0
  As  As4  1  0.250  0.250  0.777  1.0
  As  As5  1  0.750  0.750  0.223  1.0
[/CIF]
.