The material structure described by LiCaAs crystallizes in the orthorhombic Pnma space group. Li(1) is bonded to four equivalent As(1) atoms to form a mixture of distorted corner and edge-sharing LiAs4 tetrahedra. Ca(1) is bonded in a 5-coordinate geometry to five equivalent As(1) atoms. As(1) is bonded in a 9-coordinate geometry to four equivalent Li(1) and five equivalent Ca(1) atoms. is represented by the CIF card [CIF]
data_LiCaAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.314
_cell_length_b   7.233
_cell_length_c   7.877
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   245.805
_cell_formula_units_Z   4
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  0.750  0.352  0.570  1.0
  Li  Li1  1  0.750  0.852  0.930  1.0
  Li  Li2  1  0.250  0.648  0.430  1.0
  Li  Li3  1  0.250  0.148  0.070  1.0
  Ca  Ca4  1  0.750  0.486  0.198  1.0
  Ca  Ca5  1  0.750  0.986  0.302  1.0
  Ca  Ca6  1  0.250  0.514  0.802  1.0
  Ca  Ca7  1  0.250  0.014  0.698  1.0
  As  As8  1  0.750  0.231  0.898  1.0
  As  As9  1  0.750  0.731  0.602  1.0
  As  As10  1  0.250  0.769  0.102  1.0
  As  As11  1  0.250  0.269  0.398  1.0
[/CIF]
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The material structure described by LiCaAs crystallizes in the orthorhombic Pnma space group. Li(1) is bonded to four equivalent As(1) atoms to form a mixture of distorted corner and edge-sharing LiAs4 tetrahedra. Ca(1) is bonded in a 5-coordinate geometry to five equivalent As(1) atoms. As(1) is bonded in a 9-coordinate geometry to four equivalent Li(1) and five equivalent Ca(1) atoms. is represented by the CIF card [CIF]
data_LiCaAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.314
_cell_length_b   7.233
_cell_length_c   7.877
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   245.805
_cell_formula_units_Z   4
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  0.750  0.352  0.570  1.0
  Li  Li1  1  0.750  0.852  0.930  1.0
  Li  Li2  1  0.250  0.648  0.430  1.0
  Li  Li3  1  0.250  0.148  0.070  1.0
  Ca  Ca4  1  0.750  0.486  0.198  1.0
  Ca  Ca5  1  0.750  0.986  0.302  1.0
  Ca  Ca6  1  0.250  0.514  0.802  1.0
  Ca  Ca7  1  0.250  0.014  0.698  1.0
  As  As8  1  0.750  0.231  0.898  1.0
  As  As9  1  0.750  0.731  0.602  1.0
  As  As10  1  0.250  0.769  0.102  1.0
  As  As11  1  0.250  0.269  0.398  1.0
[/CIF]
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