The material structure described by CaLiSb crystallizes in the orthorhombic Pnma space group. Li(1) is bonded to four equivalent Sb(1) atoms to form a mixture of distorted corner and edge-sharing LiSb4 tetrahedra. Ca(1) is bonded in a 5-coordinate geometry to five equivalent Sb(1) atoms. Sb(1) is bonded in a 9-coordinate geometry to four equivalent Li(1) and five equivalent Ca(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiCaSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.652
_cell_length_b   7.658
_cell_length_c   8.300
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   295.657
_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  0.844  0.574  1.0
  Li  Li1  1  0.250  0.156  0.426  1.0
  Li  Li2  1  0.250  0.656  0.074  1.0
  Li  Li3  1  0.750  0.344  0.926  1.0
  Ca  Ca4  1  0.750  0.491  0.295  1.0
  Ca  Ca5  1  0.750  0.991  0.205  1.0
  Ca  Ca6  1  0.250  0.509  0.705  1.0
  Ca  Ca7  1  0.250  0.009  0.795  1.0
  Sb  Sb8  1  0.750  0.731  0.902  1.0
  Sb  Sb9  1  0.250  0.269  0.098  1.0
  Sb  Sb10  1  0.750  0.231  0.598  1.0
  Sb  Sb11  1  0.250  0.769  0.402  1.0
[/CIF]
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The material structure described by CaLiSb crystallizes in the orthorhombic Pnma space group. Li(1) is bonded to four equivalent Sb(1) atoms to form a mixture of distorted corner and edge-sharing LiSb4 tetrahedra. Ca(1) is bonded in a 5-coordinate geometry to five equivalent Sb(1) atoms. Sb(1) is bonded in a 9-coordinate geometry to four equivalent Li(1) and five equivalent Ca(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiCaSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.652
_cell_length_b   7.658
_cell_length_c   8.300
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   295.657
_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  0.844  0.574  1.0
  Li  Li1  1  0.250  0.156  0.426  1.0
  Li  Li2  1  0.250  0.656  0.074  1.0
  Li  Li3  1  0.750  0.344  0.926  1.0
  Ca  Ca4  1  0.750  0.491  0.295  1.0
  Ca  Ca5  1  0.750  0.991  0.205  1.0
  Ca  Ca6  1  0.250  0.509  0.705  1.0
  Ca  Ca7  1  0.250  0.009  0.795  1.0
  Sb  Sb8  1  0.750  0.731  0.902  1.0
  Sb  Sb9  1  0.250  0.269  0.098  1.0
  Sb  Sb10  1  0.750  0.231  0.598  1.0
  Sb  Sb11  1  0.250  0.769  0.402  1.0
[/CIF]
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