The compound described by Ca3(NiGa)4 crystallizes in the cubic I-43m space group. Ca(1) is bonded in a 12-coordinate geometry to four equivalent Ni(1) and eight equivalent Ga(1) atoms. Ni(1) is bonded in a 10-coordinate geometry to three equivalent Ca(1), three equivalent Ni(1), and four equivalent Ga(1) atoms. Ga(1) is bonded in a 10-coordinate geometry to six equivalent Ca(1) and four equivalent Ni(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca3(GaNi)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.346
_cell_length_b   6.346
_cell_length_c   6.346
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   196.699
_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  0.500  0.500  1.0
  Ca  Ca1  1  0.500  0.000  0.500  1.0
  Ca  Ca2  1  0.500  0.500  0.000  1.0
  Ga  Ga3  1  0.000  0.000  0.610  1.0
  Ga  Ga4  1  0.610  0.000  0.000  1.0
  Ga  Ga5  1  0.390  0.390  0.390  1.0
  Ga  Ga6  1  0.000  0.610  0.000  1.0
  Ni  Ni7  1  0.000  0.245  0.000  1.0
  Ni  Ni8  1  0.245  0.000  0.000  1.0
  Ni  Ni9  1  0.000  0.000  0.245  1.0
  Ni  Ni10  1  0.755  0.755  0.755  1.0
[/CIF]
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The compound described by Ca3(NiGa)4 crystallizes in the cubic I-43m space group. Ca(1) is bonded in a 12-coordinate geometry to four equivalent Ni(1) and eight equivalent Ga(1) atoms. Ni(1) is bonded in a 10-coordinate geometry to three equivalent Ca(1), three equivalent Ni(1), and four equivalent Ga(1) atoms. Ga(1) is bonded in a 10-coordinate geometry to six equivalent Ca(1) and four equivalent Ni(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca3(GaNi)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.346
_cell_length_b   6.346
_cell_length_c   6.346
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   196.699
_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  0.500  0.500  1.0
  Ca  Ca1  1  0.500  0.000  0.500  1.0
  Ca  Ca2  1  0.500  0.500  0.000  1.0
  Ga  Ga3  1  0.000  0.000  0.610  1.0
  Ga  Ga4  1  0.610  0.000  0.000  1.0
  Ga  Ga5  1  0.390  0.390  0.390  1.0
  Ga  Ga6  1  0.000  0.610  0.000  1.0
  Ni  Ni7  1  0.000  0.245  0.000  1.0
  Ni  Ni8  1  0.245  0.000  0.000  1.0
  Ni  Ni9  1  0.000  0.000  0.245  1.0
  Ni  Ni10  1  0.755  0.755  0.755  1.0
[/CIF]
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