The material described by LaNi4Ga crystallizes in the hexagonal P-6m2 space group. La(1) is bonded in a 18-coordinate geometry to three equivalent Ni(1), twelve equivalent Ni(2), and three equivalent Ga(1) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to three equivalent La(1), six equivalent Ni(2), and three equivalent Ga(1) atoms to form distorted NiLa3Ga3Ni6 cuboctahedra that share corners with twelve equivalent Ni(2)La4Ga2Ni6 cuboctahedra, edges with six equivalent Ni(1)La3Ga3Ni6 cuboctahedra, faces with two equivalent Ni(1)La3Ga3Ni6 cuboctahedra, and faces with eighteen equivalent Ni(2)La4Ga2Ni6 cuboctahedra. In the second Ni site, Ni(2) is bonded to four equivalent La(1), two equivalent Ni(1), four equivalent Ni(2), and two equivalent Ga(1) atoms to form distorted NiLa4Ga2Ni6 cuboctahedra that share corners with four equivalent Ni(1)La3Ga3Ni6 cuboctahedra, corners with sixteen equivalent Ni(2)La4Ga2Ni6 cuboctahedra, edges with ten equivalent Ni(2)La4Ga2Ni6 cuboctahedra, faces with six equivalent Ni(1)La3Ga3Ni6 cuboctahedra, and faces with ten equivalent Ni(2)La4Ga2Ni6 cuboctahedra. Ga(1) is bonded in a 9-coordinate geometry to three equivalent La(1), three equivalent Ni(1), and six equivalent Ni(2) atoms. is represented by the CIF card [CIF]
data_LaGaNi4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.149
_cell_length_b   5.149
_cell_length_c   3.839
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   88.134
_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
  La  La0  1  0.000  0.000  0.000  1.0
  Ga  Ga1  1  0.333  0.667  0.000  1.0
  Ni  Ni2  1  0.667  0.333  0.000  1.0
  Ni  Ni3  1  0.994  0.497  0.500  1.0
  Ni  Ni4  1  0.503  0.497  0.500  1.0
  Ni  Ni5  1  0.503  0.006  0.500  1.0
[/CIF]
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The material described by LaNi4Ga crystallizes in the hexagonal P-6m2 space group. La(1) is bonded in a 18-coordinate geometry to three equivalent Ni(1), twelve equivalent Ni(2), and three equivalent Ga(1) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to three equivalent La(1), six equivalent Ni(2), and three equivalent Ga(1) atoms to form distorted NiLa3Ga3Ni6 cuboctahedra that share corners with twelve equivalent Ni(2)La4Ga2Ni6 cuboctahedra, edges with six equivalent Ni(1)La3Ga3Ni6 cuboctahedra, faces with two equivalent Ni(1)La3Ga3Ni6 cuboctahedra, and faces with eighteen equivalent Ni(2)La4Ga2Ni6 cuboctahedra. In the second Ni site, Ni(2) is bonded to four equivalent La(1), two equivalent Ni(1), four equivalent Ni(2), and two equivalent Ga(1) atoms to form distorted NiLa4Ga2Ni6 cuboctahedra that share corners with four equivalent Ni(1)La3Ga3Ni6 cuboctahedra, corners with sixteen equivalent Ni(2)La4Ga2Ni6 cuboctahedra, edges with ten equivalent Ni(2)La4Ga2Ni6 cuboctahedra, faces with six equivalent Ni(1)La3Ga3Ni6 cuboctahedra, and faces with ten equivalent Ni(2)La4Ga2Ni6 cuboctahedra. Ga(1) is bonded in a 9-coordinate geometry to three equivalent La(1), three equivalent Ni(1), and six equivalent Ni(2) atoms. is represented by the CIF card [CIF]
data_LaGaNi4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.149
_cell_length_b   5.149
_cell_length_c   3.839
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   88.134
_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
  La  La0  1  0.000  0.000  0.000  1.0
  Ga  Ga1  1  0.333  0.667  0.000  1.0
  Ni  Ni2  1  0.667  0.333  0.000  1.0
  Ni  Ni3  1  0.994  0.497  0.500  1.0
  Ni  Ni4  1  0.503  0.497  0.500  1.0
  Ni  Ni5  1  0.503  0.006  0.500  1.0
[/CIF]
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