The crystal structure described by Ca2Sb crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded to five equivalent Sb(1) atoms to form a mixture of distorted corner and edge-sharing CaSb5 square pyramids. In the second Ca site, Ca(2) is bonded in a distorted square co-planar geometry to four equivalent Sb(1) atoms. Sb(1) is bonded in a 9-coordinate geometry to four equivalent Ca(2) and five equivalent Ca(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.757
_cell_length_b   4.757
_cell_length_c   9.042
_cell_angle_alpha   105.250
_cell_angle_beta   105.250
_cell_angle_gamma   89.996
_symmetry_Int_Tables_number   1
_cell_volume   189.902
_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
  Ca  Ca0  1  0.670  0.670  0.341  1.0
  Ca  Ca1  1  0.995  0.495  0.990  1.0
  Ca  Ca2  1  0.319  0.319  0.639  1.0
  Ca  Ca3  1  0.495  0.995  0.990  1.0
  Sb  Sb4  1  0.859  0.859  0.719  1.0
  Sb  Sb5  1  0.130  0.130  0.260  1.0
[/CIF]
.
The crystal structure described by Ca2Sb crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded to five equivalent Sb(1) atoms to form a mixture of distorted corner and edge-sharing CaSb5 square pyramids. In the second Ca site, Ca(2) is bonded in a distorted square co-planar geometry to four equivalent Sb(1) atoms. Sb(1) is bonded in a 9-coordinate geometry to four equivalent Ca(2) and five equivalent Ca(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.757
_cell_length_b   4.757
_cell_length_c   9.042
_cell_angle_alpha   105.250
_cell_angle_beta   105.250
_cell_angle_gamma   89.996
_symmetry_Int_Tables_number   1
_cell_volume   189.902
_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
  Ca  Ca0  1  0.670  0.670  0.341  1.0
  Ca  Ca1  1  0.995  0.495  0.990  1.0
  Ca  Ca2  1  0.319  0.319  0.639  1.0
  Ca  Ca3  1  0.495  0.995  0.990  1.0
  Sb  Sb4  1  0.859  0.859  0.719  1.0
  Sb  Sb5  1  0.130  0.130  0.260  1.0
[/CIF]
.