The material described by Nb5Ga3 crystallizes in the monoclinic C2/c space group. There are three inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a 6-coordinate geometry to two equivalent Ga(2) and four equivalent Ga(1) atoms. In the second Nb site, Nb(2) is bonded in a 6-coordinate geometry to two equivalent Nb(2) and four equivalent Ga(1) atoms. In the third Nb site, Nb(3) 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 distorted q6 geometry to two equivalent Nb(2), four equivalent Nb(1), and four equivalent Nb(3) atoms. In the second Ga site, Ga(2) is bonded in a 10-coordinate geometry to four equivalent Nb(1), four equivalent Nb(3), and two equivalent Ga(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Nb5Ga3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.087
_cell_length_b   7.734
_cell_length_c   7.734
_cell_angle_alpha   83.828
_cell_angle_beta   70.857
_cell_angle_gamma   70.857
_symmetry_Int_Tables_number   1
_cell_volume   271.560
_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
  Nb  Nb0  1  0.576  0.703  0.145  1.0
  Nb  Nb1  1  0.250  0.499  0.501  1.0
  Nb  Nb2  1  0.076  0.145  0.703  1.0
  Nb  Nb3  1  0.924  0.855  0.297  1.0
  Nb  Nb4  1  0.750  0.501  0.499  1.0
  Nb  Nb5  1  0.721  0.855  0.703  1.0
  Nb  Nb6  1  0.424  0.297  0.855  1.0
  Nb  Nb7  1  0.779  0.297  0.145  1.0
  Nb  Nb8  1  0.279  0.145  0.297  1.0
  Nb  Nb9  1  0.221  0.703  0.855  1.0
  Ga  Ga10  1  0.165  0.500  0.170  1.0
  Ga  Ga11  1  0.250  0.000  1.000  1.0
  Ga  Ga12  1  0.665  0.170  0.500  1.0
  Ga  Ga13  1  0.835  0.500  0.830  1.0
  Ga  Ga14  1  0.750  1.000  0.000  1.0
  Ga  Ga15  1  0.335  0.830  0.500  1.0
[/CIF]
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The material described by Nb5Ga3 crystallizes in the monoclinic C2/c space group. There are three inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a 6-coordinate geometry to two equivalent Ga(2) and four equivalent Ga(1) atoms. In the second Nb site, Nb(2) is bonded in a 6-coordinate geometry to two equivalent Nb(2) and four equivalent Ga(1) atoms. In the third Nb site, Nb(3) 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 distorted q6 geometry to two equivalent Nb(2), four equivalent Nb(1), and four equivalent Nb(3) atoms. In the second Ga site, Ga(2) is bonded in a 10-coordinate geometry to four equivalent Nb(1), four equivalent Nb(3), and two equivalent Ga(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Nb5Ga3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.087
_cell_length_b   7.734
_cell_length_c   7.734
_cell_angle_alpha   83.828
_cell_angle_beta   70.857
_cell_angle_gamma   70.857
_symmetry_Int_Tables_number   1
_cell_volume   271.560
_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
  Nb  Nb0  1  0.576  0.703  0.145  1.0
  Nb  Nb1  1  0.250  0.499  0.501  1.0
  Nb  Nb2  1  0.076  0.145  0.703  1.0
  Nb  Nb3  1  0.924  0.855  0.297  1.0
  Nb  Nb4  1  0.750  0.501  0.499  1.0
  Nb  Nb5  1  0.721  0.855  0.703  1.0
  Nb  Nb6  1  0.424  0.297  0.855  1.0
  Nb  Nb7  1  0.779  0.297  0.145  1.0
  Nb  Nb8  1  0.279  0.145  0.297  1.0
  Nb  Nb9  1  0.221  0.703  0.855  1.0
  Ga  Ga10  1  0.165  0.500  0.170  1.0
  Ga  Ga11  1  0.250  0.000  1.000  1.0
  Ga  Ga12  1  0.665  0.170  0.500  1.0
  Ga  Ga13  1  0.835  0.500  0.830  1.0
  Ga  Ga14  1  0.750  1.000  0.000  1.0
  Ga  Ga15  1  0.335  0.830  0.500  1.0
[/CIF]
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