The structure described by Ca3Ga8 crystallizes in the orthorhombic Immm space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded to four equivalent Ga(3) and eight equivalent Ga(2) atoms to form a mixture of edge and face-sharing CaGa12 cuboctahedra. In the second Ca site, Ca(2) is bonded in a 14-coordinate geometry to two equivalent Ga(2), four equivalent Ga(1), four equivalent Ga(3), and four equivalent Ga(4) atoms. There are four inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to four equivalent Ca(2), four equivalent Ga(1), and four equivalent Ga(4) atoms to form a mixture of distorted corner and face-sharing GaCa4Ga8 cuboctahedra. In the second Ga site, Ga(2) is bonded in a 9-coordinate geometry to two equivalent Ca(2), four equivalent Ca(1), one Ga(2), and two equivalent Ga(3) atoms. In the third Ga site, Ga(3) is bonded in a 9-coordinate geometry to two equivalent Ca(1), four equivalent Ca(2), one Ga(4), and two equivalent Ga(2) atoms. In the fourth Ga site, Ga(4) is bonded in a 9-coordinate geometry to four equivalent Ca(2), one Ga(3), and four equivalent Ga(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca3Ga8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.268
_cell_length_b   4.298
_cell_length_c   13.109
_cell_angle_alpha   99.435
_cell_angle_beta   99.368
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   233.953
_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
  Ca  Ca0  1  0.000  0.000  0.000  1.0
  Ca  Ca1  1  0.354  0.854  0.708  1.0
  Ca  Ca2  1  0.646  0.146  0.292  1.0
  Ga  Ga3  1  0.250  0.250  0.501  1.0
  Ga  Ga4  1  0.750  0.750  0.499  1.0
  Ga  Ga5  1  0.452  0.452  0.903  1.0
  Ga  Ga6  1  0.548  0.548  0.097  1.0
  Ga  Ga7  1  0.095  0.595  0.189  1.0
  Ga  Ga8  1  0.905  0.405  0.811  1.0
  Ga  Ga9  1  0.191  0.691  0.382  1.0
  Ga  Ga10  1  0.809  0.309  0.618  1.0
[/CIF]
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The structure described by Ca3Ga8 crystallizes in the orthorhombic Immm space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded to four equivalent Ga(3) and eight equivalent Ga(2) atoms to form a mixture of edge and face-sharing CaGa12 cuboctahedra. In the second Ca site, Ca(2) is bonded in a 14-coordinate geometry to two equivalent Ga(2), four equivalent Ga(1), four equivalent Ga(3), and four equivalent Ga(4) atoms. There are four inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to four equivalent Ca(2), four equivalent Ga(1), and four equivalent Ga(4) atoms to form a mixture of distorted corner and face-sharing GaCa4Ga8 cuboctahedra. In the second Ga site, Ga(2) is bonded in a 9-coordinate geometry to two equivalent Ca(2), four equivalent Ca(1), one Ga(2), and two equivalent Ga(3) atoms. In the third Ga site, Ga(3) is bonded in a 9-coordinate geometry to two equivalent Ca(1), four equivalent Ca(2), one Ga(4), and two equivalent Ga(2) atoms. In the fourth Ga site, Ga(4) is bonded in a 9-coordinate geometry to four equivalent Ca(2), one Ga(3), and four equivalent Ga(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca3Ga8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.268
_cell_length_b   4.298
_cell_length_c   13.109
_cell_angle_alpha   99.435
_cell_angle_beta   99.368
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   233.953
_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
  Ca  Ca0  1  0.000  0.000  0.000  1.0
  Ca  Ca1  1  0.354  0.854  0.708  1.0
  Ca  Ca2  1  0.646  0.146  0.292  1.0
  Ga  Ga3  1  0.250  0.250  0.501  1.0
  Ga  Ga4  1  0.750  0.750  0.499  1.0
  Ga  Ga5  1  0.452  0.452  0.903  1.0
  Ga  Ga6  1  0.548  0.548  0.097  1.0
  Ga  Ga7  1  0.095  0.595  0.189  1.0
  Ga  Ga8  1  0.905  0.405  0.811  1.0
  Ga  Ga9  1  0.191  0.691  0.382  1.0
  Ga  Ga10  1  0.809  0.309  0.618  1.0
[/CIF]
.