The structure described by Li2CeAs2 crystallizes in the trigonal P-3m1 space group. Li(1) is bonded to four equivalent As(1) atoms to form LiAs4 tetrahedra that share corners with six equivalent Ce(1)As6 octahedra, corners with six equivalent Li(1)As4 tetrahedra, edges with three equivalent Ce(1)As6 octahedra, and edges with three equivalent Li(1)As4 tetrahedra. The corner-sharing octahedral tilt angles range from 11-57°. Ce(1) is bonded to six equivalent As(1) atoms to form CeAs6 octahedra that share corners with twelve equivalent Li(1)As4 tetrahedra, edges with six equivalent Ce(1)As6 octahedra, and edges with six equivalent Li(1)As4 tetrahedra. As(1) is bonded to four equivalent Li(1) and three equivalent Ce(1) atoms to form a mixture of distorted edge and corner-sharing AsLi4Ce3 pentagonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2CeAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.263
_cell_length_b   4.263
_cell_length_c   6.830
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   107.476
_cell_formula_units_Z   1
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  0.667  0.333  0.377  1.0
  Li  Li1  1  0.333  0.667  0.623  1.0
  Ce  Ce2  1  0.000  0.000  0.000  1.0
  As  As3  1  0.667  0.333  0.768  1.0
  As  As4  1  0.333  0.667  0.232  1.0
[/CIF]
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The structure described by Li2CeAs2 crystallizes in the trigonal P-3m1 space group. Li(1) is bonded to four equivalent As(1) atoms to form LiAs4 tetrahedra that share corners with six equivalent Ce(1)As6 octahedra, corners with six equivalent Li(1)As4 tetrahedra, edges with three equivalent Ce(1)As6 octahedra, and edges with three equivalent Li(1)As4 tetrahedra. The corner-sharing octahedral tilt angles range from 11-57°. Ce(1) is bonded to six equivalent As(1) atoms to form CeAs6 octahedra that share corners with twelve equivalent Li(1)As4 tetrahedra, edges with six equivalent Ce(1)As6 octahedra, and edges with six equivalent Li(1)As4 tetrahedra. As(1) is bonded to four equivalent Li(1) and three equivalent Ce(1) atoms to form a mixture of distorted edge and corner-sharing AsLi4Ce3 pentagonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2CeAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.263
_cell_length_b   4.263
_cell_length_c   6.830
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   107.476
_cell_formula_units_Z   1
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  0.667  0.333  0.377  1.0
  Li  Li1  1  0.333  0.667  0.623  1.0
  Ce  Ce2  1  0.000  0.000  0.000  1.0
  As  As3  1  0.667  0.333  0.768  1.0
  As  As4  1  0.333  0.667  0.232  1.0
[/CIF]
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