The compound described by Ni9GaB8 is delta Molybdenum Boride-derived structured and crystallizes in the orthorhombic Cmcm space group. There are four inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 6-coordinate geometry to two equivalent Ga(1), two equivalent B(3), and four equivalent B(4) atoms. In the second Ni site, Ni(2) is bonded in a 7-coordinate geometry to one Ga(1), one B(1), one B(3), and four equivalent B(4) atoms. In the third Ni site, Ni(3) is bonded in a 6-coordinate geometry to two equivalent Ga(1), one B(1), one B(2), two equivalent B(3), and two equivalent B(4) atoms. In the fourth Ni site, Ni(4) is bonded in a 7-coordinate geometry to one Ga(1), one B(1), one B(2), one B(3), and three equivalent B(4) atoms. Ga(1) is bonded in a 12-coordinate geometry to two equivalent Ni(1), two equivalent Ni(2), four equivalent Ni(3), and four equivalent Ni(4) atoms. There are four inequivalent B sites. In the first B site, B(1) is bonded in a 9-coordinate geometry to two equivalent Ni(2), two equivalent Ni(3), four equivalent Ni(4), and one B(2) atom. In the second B site, B(2) is bonded in a 9-coordinate geometry to two equivalent Ni(3), four equivalent Ni(4), one B(1), and two equivalent B(3) atoms. In the third B site, B(3) is bonded in a 9-coordinate geometry to one Ni(1), one Ni(2), two equivalent Ni(3), two equivalent Ni(4), one B(2), and two equivalent B(4) atoms. In the fourth B site, B(4) is bonded in a 9-coordinate geometry to one Ni(1), one Ni(3), two equivalent Ni(2), three equivalent Ni(4), one B(3), and one B(4) atom. is represented by the CIF file [CIF]
data_GaNi9B8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.399
_cell_length_b   5.399
_cell_length_c   10.744
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   97.553
_symmetry_Int_Tables_number   1
_cell_volume   310.430
_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
  Ga  Ga0  1  0.914  0.086  0.750  1.0
  Ga  Ga1  1  0.086  0.914  0.250  1.0
  Ni  Ni2  1  0.000  0.000  0.000  1.0
  Ni  Ni3  1  0.000  0.000  0.500  1.0
  Ni  Ni4  1  0.710  0.290  0.919  1.0
  Ni  Ni5  1  0.290  0.710  0.081  1.0
  Ni  Ni6  1  0.710  0.290  0.581  1.0
  Ni  Ni7  1  0.290  0.710  0.419  1.0
  Ni  Ni8  1  0.397  0.052  0.750  1.0
  Ni  Ni9  1  0.052  0.397  0.250  1.0
  Ni  Ni10  1  0.603  0.948  0.250  1.0
  Ni  Ni11  1  0.948  0.603  0.750  1.0
  Ni  Ni12  1  0.622  0.759  0.886  1.0
  Ni  Ni13  1  0.759  0.622  0.114  1.0
  Ni  Ni14  1  0.622  0.759  0.614  1.0
  Ni  Ni15  1  0.759  0.622  0.386  1.0
  Ni  Ni16  1  0.378  0.241  0.114  1.0
  Ni  Ni17  1  0.241  0.378  0.886  1.0
  Ni  Ni18  1  0.378  0.241  0.386  1.0
  Ni  Ni19  1  0.241  0.378  0.614  1.0
  B  B20  1  0.565  0.435  0.750  1.0
  B  B21  1  0.435  0.565  0.250  1.0
  B  B22  1  0.352  0.648  0.750  1.0
  B  B23  1  0.648  0.352  0.250  1.0
  B  B24  1  0.779  0.221  0.380  1.0
  B  B25  1  0.221  0.779  0.620  1.0
  B  B26  1  0.779  0.221  0.120  1.0
  B  B27  1  0.221  0.779  0.880  1.0
  B  B28  1  0.383  0.040  0.949  1.0
  B  B29  1  0.040  0.383  0.051  1.0
  B  B30  1  0.383  0.040  0.551  1.0
  B  B31  1  0.040  0.383  0.449  1.0
  B  B32  1  0.617  0.960  0.051  1.0
  B  B33  1  0.960  0.617  0.949  1.0
  B  B34  1  0.617  0.960  0.449  1.0
  B  B35  1  0.960  0.617  0.551  1.0
[/CIF]
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The compound described by Ni9GaB8 is delta Molybdenum Boride-derived structured and crystallizes in the orthorhombic Cmcm space group. There are four inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 6-coordinate geometry to two equivalent Ga(1), two equivalent B(3), and four equivalent B(4) atoms. In the second Ni site, Ni(2) is bonded in a 7-coordinate geometry to one Ga(1), one B(1), one B(3), and four equivalent B(4) atoms. In the third Ni site, Ni(3) is bonded in a 6-coordinate geometry to two equivalent Ga(1), one B(1), one B(2), two equivalent B(3), and two equivalent B(4) atoms. In the fourth Ni site, Ni(4) is bonded in a 7-coordinate geometry to one Ga(1), one B(1), one B(2), one B(3), and three equivalent B(4) atoms. Ga(1) is bonded in a 12-coordinate geometry to two equivalent Ni(1), two equivalent Ni(2), four equivalent Ni(3), and four equivalent Ni(4) atoms. There are four inequivalent B sites. In the first B site, B(1) is bonded in a 9-coordinate geometry to two equivalent Ni(2), two equivalent Ni(3), four equivalent Ni(4), and one B(2) atom. In the second B site, B(2) is bonded in a 9-coordinate geometry to two equivalent Ni(3), four equivalent Ni(4), one B(1), and two equivalent B(3) atoms. In the third B site, B(3) is bonded in a 9-coordinate geometry to one Ni(1), one Ni(2), two equivalent Ni(3), two equivalent Ni(4), one B(2), and two equivalent B(4) atoms. In the fourth B site, B(4) is bonded in a 9-coordinate geometry to one Ni(1), one Ni(3), two equivalent Ni(2), three equivalent Ni(4), one B(3), and one B(4) atom. is represented by the CIF file [CIF]
data_GaNi9B8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.399
_cell_length_b   5.399
_cell_length_c   10.744
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   97.553
_symmetry_Int_Tables_number   1
_cell_volume   310.430
_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
  Ga  Ga0  1  0.914  0.086  0.750  1.0
  Ga  Ga1  1  0.086  0.914  0.250  1.0
  Ni  Ni2  1  0.000  0.000  0.000  1.0
  Ni  Ni3  1  0.000  0.000  0.500  1.0
  Ni  Ni4  1  0.710  0.290  0.919  1.0
  Ni  Ni5  1  0.290  0.710  0.081  1.0
  Ni  Ni6  1  0.710  0.290  0.581  1.0
  Ni  Ni7  1  0.290  0.710  0.419  1.0
  Ni  Ni8  1  0.397  0.052  0.750  1.0
  Ni  Ni9  1  0.052  0.397  0.250  1.0
  Ni  Ni10  1  0.603  0.948  0.250  1.0
  Ni  Ni11  1  0.948  0.603  0.750  1.0
  Ni  Ni12  1  0.622  0.759  0.886  1.0
  Ni  Ni13  1  0.759  0.622  0.114  1.0
  Ni  Ni14  1  0.622  0.759  0.614  1.0
  Ni  Ni15  1  0.759  0.622  0.386  1.0
  Ni  Ni16  1  0.378  0.241  0.114  1.0
  Ni  Ni17  1  0.241  0.378  0.886  1.0
  Ni  Ni18  1  0.378  0.241  0.386  1.0
  Ni  Ni19  1  0.241  0.378  0.614  1.0
  B  B20  1  0.565  0.435  0.750  1.0
  B  B21  1  0.435  0.565  0.250  1.0
  B  B22  1  0.352  0.648  0.750  1.0
  B  B23  1  0.648  0.352  0.250  1.0
  B  B24  1  0.779  0.221  0.380  1.0
  B  B25  1  0.221  0.779  0.620  1.0
  B  B26  1  0.779  0.221  0.120  1.0
  B  B27  1  0.221  0.779  0.880  1.0
  B  B28  1  0.383  0.040  0.949  1.0
  B  B29  1  0.040  0.383  0.051  1.0
  B  B30  1  0.383  0.040  0.551  1.0
  B  B31  1  0.040  0.383  0.449  1.0
  B  B32  1  0.617  0.960  0.051  1.0
  B  B33  1  0.960  0.617  0.949  1.0
  B  B34  1  0.617  0.960  0.449  1.0
  B  B35  1  0.960  0.617  0.551  1.0
[/CIF]
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