The material described by CaNi2Ga3 crystallizes in the orthorhombic Cmcm space group. Ca(1) is bonded in a 7-coordinate geometry to three equivalent Ga(2) and eight equivalent Ga(1) atoms. Ni(1) is bonded in a 6-coordinate geometry to two equivalent Ga(2) and four equivalent Ga(1) atoms. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 11-coordinate geometry to four equivalent Ca(1), four equivalent Ni(1), one Ga(2), and two equivalent Ga(1) atoms. In the second Ga site, Ga(2) is bonded in a 11-coordinate geometry to three equivalent Ca(1), four equivalent Ni(1), two equivalent Ga(1), and two equivalent Ga(2) atoms. is represented by the CIF card [CIF]
data_CaGa3Ni2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.097
_cell_length_b   6.248
_cell_length_c   6.248
_cell_angle_alpha   103.095
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   193.804
_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  0.250  0.343  0.343  1.0
  Ca  Ca1  1  0.750  0.657  0.657  1.0
  Ga  Ga2  1  0.750  0.469  0.088  1.0
  Ga  Ga3  1  0.750  0.088  0.469  1.0
  Ga  Ga4  1  0.250  0.531  0.912  1.0
  Ga  Ga5  1  0.750  0.056  0.056  1.0
  Ga  Ga6  1  0.250  0.944  0.944  1.0
  Ga  Ga7  1  0.250  0.912  0.531  1.0
  Ni  Ni8  1  0.500  0.792  0.208  1.0
  Ni  Ni9  1  0.000  0.792  0.208  1.0
  Ni  Ni10  1  0.000  0.208  0.792  1.0
  Ni  Ni11  1  0.500  0.208  0.792  1.0
[/CIF]
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The material described by CaNi2Ga3 crystallizes in the orthorhombic Cmcm space group. Ca(1) is bonded in a 7-coordinate geometry to three equivalent Ga(2) and eight equivalent Ga(1) atoms. Ni(1) is bonded in a 6-coordinate geometry to two equivalent Ga(2) and four equivalent Ga(1) atoms. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 11-coordinate geometry to four equivalent Ca(1), four equivalent Ni(1), one Ga(2), and two equivalent Ga(1) atoms. In the second Ga site, Ga(2) is bonded in a 11-coordinate geometry to three equivalent Ca(1), four equivalent Ni(1), two equivalent Ga(1), and two equivalent Ga(2) atoms. is represented by the CIF card [CIF]
data_CaGa3Ni2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.097
_cell_length_b   6.248
_cell_length_c   6.248
_cell_angle_alpha   103.095
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   193.804
_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  0.250  0.343  0.343  1.0
  Ca  Ca1  1  0.750  0.657  0.657  1.0
  Ga  Ga2  1  0.750  0.469  0.088  1.0
  Ga  Ga3  1  0.750  0.088  0.469  1.0
  Ga  Ga4  1  0.250  0.531  0.912  1.0
  Ga  Ga5  1  0.750  0.056  0.056  1.0
  Ga  Ga6  1  0.250  0.944  0.944  1.0
  Ga  Ga7  1  0.250  0.912  0.531  1.0
  Ni  Ni8  1  0.500  0.792  0.208  1.0
  Ni  Ni9  1  0.000  0.792  0.208  1.0
  Ni  Ni10  1  0.000  0.208  0.792  1.0
  Ni  Ni11  1  0.500  0.208  0.792  1.0
[/CIF]
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