The material structure described by Ni5Ga21 crystallizes in the orthorhombic Fmm2 space group. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 11-coordinate geometry to one Ga(4), one Ga(5), one Ga(6), one Ga(7), one Ga(8), three equivalent Ga(1), and three equivalent Ga(3) atoms. In the second Ni site, Ni(2) is bonded in a 9-coordinate geometry to one Ga(9), two equivalent Ga(2), two equivalent Ga(4), two equivalent Ga(6), and two equivalent Ga(7) atoms. There are nine inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 1-coordinate geometry to three equivalent Ni(1), one Ga(2), one Ga(4), one Ga(5), and one Ga(8) atom. In the second Ga site, Ga(2) is bonded in a 9-coordinate geometry to one Ni(2), one Ga(5), one Ga(9), two equivalent Ga(1), two equivalent Ga(3), and two equivalent Ga(7) atoms. In the third Ga site, Ga(3) is bonded in a 1-coordinate geometry to three equivalent Ni(1), one Ga(2), one Ga(4), one Ga(6), and one Ga(7) atom. In the fourth Ga site, Ga(4) is bonded in a 11-coordinate geometry to one Ni(2), two equivalent Ni(1), one Ga(6), one Ga(9), two equivalent Ga(1), two equivalent Ga(3), and two equivalent Ga(8) atoms. In the fifth Ga site, Ga(5) is bonded in a 9-coordinate geometry to two equivalent Ni(1), one Ga(2), one Ga(7), one Ga(9), two equivalent Ga(1), and two equivalent Ga(8) atoms. In the sixth Ga site, Ga(6) is bonded in a 9-coordinate geometry to one Ni(2), two equivalent Ni(1), one Ga(4), one Ga(8), two equivalent Ga(3), and two equivalent Ga(7) atoms. In the seventh Ga site, Ga(7) is bonded in a 10-coordinate geometry to one Ni(2), two equivalent Ni(1), one Ga(5), two equivalent Ga(2), two equivalent Ga(3), and two equivalent Ga(6) atoms. In the eighth Ga site, Ga(8) is bonded in a 10-coordinate geometry to two equivalent Ni(1), one Ga(6), one Ga(9), two equivalent Ga(1), two equivalent Ga(4), and two equivalent Ga(5) atoms. In the ninth Ga site, Ga(9) is bonded in a 9-coordinate geometry to one Ni(2), two equivalent Ga(2), two equivalent Ga(4), two equivalent Ga(5), and two equivalent Ga(8) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ga21Ni5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.890
_cell_length_b   8.220
_cell_length_c   8.181
_cell_angle_alpha   74.168
_cell_angle_beta   53.093
_cell_angle_gamma   52.739
_symmetry_Int_Tables_number   1
_cell_volume   418.901
_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
  Ga  Ga0  1  0.314  0.007  0.319  1.0
  Ga  Ga1  1  0.694  0.306  0.644  1.0
  Ga  Ga2  1  0.993  0.686  0.639  1.0
  Ga  Ga3  1  0.638  0.998  0.681  1.0
  Ga  Ga4  1  0.660  0.706  0.340  1.0
  Ga  Ga5  1  0.319  0.317  0.362  1.0
  Ga  Ga6  1  0.683  0.681  0.998  1.0
  Ga  Ga7  1  0.294  0.340  0.706  1.0
  Ga  Ga8  1  0.002  0.362  0.317  1.0
  Ga  Ga9  1  0.361  0.319  0.007  1.0
  Ga  Ga10  1  0.356  0.644  0.306  1.0
  Ga  Ga11  1  0.681  0.639  0.686  1.0
  Ga  Ga12  1  0.007  0.993  0.715  1.0
  Ga  Ga13  1  0.724  0.023  0.276  1.0
  Ga  Ga14  1  0.977  0.276  0.023  1.0
  Ga  Ga15  1  0.285  0.715  0.993  1.0
  Ga  Ga16  1  0.997  0.003  0.323  1.0
  Ga  Ga17  1  0.318  0.998  0.682  1.0
  Ga  Ga18  1  0.002  0.682  0.998  1.0
  Ga  Ga19  1  0.677  0.323  0.003  1.0
  Ga  Ga20  1  0.363  0.637  0.637  1.0
  Ni  Ni21  1  0.004  0.326  0.674  1.0
  Ni  Ni22  1  0.674  0.996  0.004  1.0
  Ni  Ni23  1  0.657  0.343  0.343  1.0
  Ni  Ni24  1  0.996  0.674  0.326  1.0
  Ni  Ni25  1  0.326  0.004  0.996  1.0
[/CIF]
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The material structure described by Ni5Ga21 crystallizes in the orthorhombic Fmm2 space group. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 11-coordinate geometry to one Ga(4), one Ga(5), one Ga(6), one Ga(7), one Ga(8), three equivalent Ga(1), and three equivalent Ga(3) atoms. In the second Ni site, Ni(2) is bonded in a 9-coordinate geometry to one Ga(9), two equivalent Ga(2), two equivalent Ga(4), two equivalent Ga(6), and two equivalent Ga(7) atoms. There are nine inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 1-coordinate geometry to three equivalent Ni(1), one Ga(2), one Ga(4), one Ga(5), and one Ga(8) atom. In the second Ga site, Ga(2) is bonded in a 9-coordinate geometry to one Ni(2), one Ga(5), one Ga(9), two equivalent Ga(1), two equivalent Ga(3), and two equivalent Ga(7) atoms. In the third Ga site, Ga(3) is bonded in a 1-coordinate geometry to three equivalent Ni(1), one Ga(2), one Ga(4), one Ga(6), and one Ga(7) atom. In the fourth Ga site, Ga(4) is bonded in a 11-coordinate geometry to one Ni(2), two equivalent Ni(1), one Ga(6), one Ga(9), two equivalent Ga(1), two equivalent Ga(3), and two equivalent Ga(8) atoms. In the fifth Ga site, Ga(5) is bonded in a 9-coordinate geometry to two equivalent Ni(1), one Ga(2), one Ga(7), one Ga(9), two equivalent Ga(1), and two equivalent Ga(8) atoms. In the sixth Ga site, Ga(6) is bonded in a 9-coordinate geometry to one Ni(2), two equivalent Ni(1), one Ga(4), one Ga(8), two equivalent Ga(3), and two equivalent Ga(7) atoms. In the seventh Ga site, Ga(7) is bonded in a 10-coordinate geometry to one Ni(2), two equivalent Ni(1), one Ga(5), two equivalent Ga(2), two equivalent Ga(3), and two equivalent Ga(6) atoms. In the eighth Ga site, Ga(8) is bonded in a 10-coordinate geometry to two equivalent Ni(1), one Ga(6), one Ga(9), two equivalent Ga(1), two equivalent Ga(4), and two equivalent Ga(5) atoms. In the ninth Ga site, Ga(9) is bonded in a 9-coordinate geometry to one Ni(2), two equivalent Ga(2), two equivalent Ga(4), two equivalent Ga(5), and two equivalent Ga(8) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ga21Ni5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.890
_cell_length_b   8.220
_cell_length_c   8.181
_cell_angle_alpha   74.168
_cell_angle_beta   53.093
_cell_angle_gamma   52.739
_symmetry_Int_Tables_number   1
_cell_volume   418.901
_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
  Ga  Ga0  1  0.314  0.007  0.319  1.0
  Ga  Ga1  1  0.694  0.306  0.644  1.0
  Ga  Ga2  1  0.993  0.686  0.639  1.0
  Ga  Ga3  1  0.638  0.998  0.681  1.0
  Ga  Ga4  1  0.660  0.706  0.340  1.0
  Ga  Ga5  1  0.319  0.317  0.362  1.0
  Ga  Ga6  1  0.683  0.681  0.998  1.0
  Ga  Ga7  1  0.294  0.340  0.706  1.0
  Ga  Ga8  1  0.002  0.362  0.317  1.0
  Ga  Ga9  1  0.361  0.319  0.007  1.0
  Ga  Ga10  1  0.356  0.644  0.306  1.0
  Ga  Ga11  1  0.681  0.639  0.686  1.0
  Ga  Ga12  1  0.007  0.993  0.715  1.0
  Ga  Ga13  1  0.724  0.023  0.276  1.0
  Ga  Ga14  1  0.977  0.276  0.023  1.0
  Ga  Ga15  1  0.285  0.715  0.993  1.0
  Ga  Ga16  1  0.997  0.003  0.323  1.0
  Ga  Ga17  1  0.318  0.998  0.682  1.0
  Ga  Ga18  1  0.002  0.682  0.998  1.0
  Ga  Ga19  1  0.677  0.323  0.003  1.0
  Ga  Ga20  1  0.363  0.637  0.637  1.0
  Ni  Ni21  1  0.004  0.326  0.674  1.0
  Ni  Ni22  1  0.674  0.996  0.004  1.0
  Ni  Ni23  1  0.657  0.343  0.343  1.0
  Ni  Ni24  1  0.996  0.674  0.326  1.0
  Ni  Ni25  1  0.326  0.004  0.996  1.0
[/CIF]
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