The compound described by Ca5Ga3 crystallizes in the tetragonal I4/mcm space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a square co-planar geometry to four equivalent Ga(2) atoms. In the second Ca site, Ca(2) is bonded to two equivalent Ga(1) and three equivalent Ga(2) atoms to form a mixture of distorted face, corner, and edge-sharing CaGa5 trigonal bipyramids. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 8-coordinate geometry to eight equivalent Ca(2) atoms. In the second Ga site, Ga(2) is bonded in a 9-coordinate geometry to two equivalent Ca(1), six equivalent Ca(2), and one Ga(2) atom. is represented by the CIF file [CIF]
data_Ca5Ga3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.926
_cell_length_b   7.926
_cell_length_c   9.320
_cell_angle_alpha   115.189
_cell_angle_beta   115.189
_cell_angle_gamma   90.005
_symmetry_Int_Tables_number   1
_cell_volume   467.576
_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  0.500  0.500  0.000  1.0
  Ca  Ca1  1  0.000  0.000  0.000  1.0
  Ca  Ca2  1  0.035  0.535  0.713  1.0
  Ca  Ca3  1  0.677  0.177  0.713  1.0
  Ca  Ca4  1  0.177  0.035  0.713  1.0
  Ca  Ca5  1  0.535  0.677  0.713  1.0
  Ca  Ca6  1  0.965  0.465  0.287  1.0
  Ca  Ca7  1  0.323  0.823  0.287  1.0
  Ca  Ca8  1  0.823  0.965  0.287  1.0
  Ca  Ca9  1  0.465  0.323  0.287  1.0
  Ga  Ga10  1  0.250  0.250  0.500  1.0
  Ga  Ga11  1  0.750  0.750  0.500  1.0
  Ga  Ga12  1  0.391  0.891  1.000  1.0
  Ga  Ga13  1  0.609  0.109  0.000  1.0
  Ga  Ga14  1  0.109  0.391  0.000  1.0
  Ga  Ga15  1  0.891  0.609  0.000  1.0
[/CIF]
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The compound described by Ca5Ga3 crystallizes in the tetragonal I4/mcm space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a square co-planar geometry to four equivalent Ga(2) atoms. In the second Ca site, Ca(2) is bonded to two equivalent Ga(1) and three equivalent Ga(2) atoms to form a mixture of distorted face, corner, and edge-sharing CaGa5 trigonal bipyramids. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 8-coordinate geometry to eight equivalent Ca(2) atoms. In the second Ga site, Ga(2) is bonded in a 9-coordinate geometry to two equivalent Ca(1), six equivalent Ca(2), and one Ga(2) atom. is represented by the CIF file [CIF]
data_Ca5Ga3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.926
_cell_length_b   7.926
_cell_length_c   9.320
_cell_angle_alpha   115.189
_cell_angle_beta   115.189
_cell_angle_gamma   90.005
_symmetry_Int_Tables_number   1
_cell_volume   467.576
_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  0.500  0.500  0.000  1.0
  Ca  Ca1  1  0.000  0.000  0.000  1.0
  Ca  Ca2  1  0.035  0.535  0.713  1.0
  Ca  Ca3  1  0.677  0.177  0.713  1.0
  Ca  Ca4  1  0.177  0.035  0.713  1.0
  Ca  Ca5  1  0.535  0.677  0.713  1.0
  Ca  Ca6  1  0.965  0.465  0.287  1.0
  Ca  Ca7  1  0.323  0.823  0.287  1.0
  Ca  Ca8  1  0.823  0.965  0.287  1.0
  Ca  Ca9  1  0.465  0.323  0.287  1.0
  Ga  Ga10  1  0.250  0.250  0.500  1.0
  Ga  Ga11  1  0.750  0.750  0.500  1.0
  Ga  Ga12  1  0.391  0.891  1.000  1.0
  Ga  Ga13  1  0.609  0.109  0.000  1.0
  Ga  Ga14  1  0.109  0.391  0.000  1.0
  Ga  Ga15  1  0.891  0.609  0.000  1.0
[/CIF]
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