The compound described by Y3Cu4Ga7 crystallizes in the monoclinic C2/m space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a 15-coordinate geometry to two equivalent Cu(1), three equivalent Cu(2), two equivalent Ga(3), two equivalent Ga(4), three equivalent Ga(1), and three equivalent Ga(2) atoms. In the second Y site, Y(2) is bonded to four equivalent Cu(2), two equivalent Ga(1), two equivalent Ga(2), and four equivalent Ga(4) atoms to form distorted YGa8Cu4 cuboctahedra that share edges with two equivalent Ga(3)Y4Ga4Cu4 cuboctahedra and faces with two equivalent Y(2)Ga8Cu4 cuboctahedra. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 10-coordinate geometry to two equivalent Y(1), one Cu(2), one Ga(4), two equivalent Ga(1), two equivalent Ga(2), and two equivalent Ga(3) atoms. In the second Cu site, Cu(2) is bonded in a 9-coordinate geometry to two equivalent Y(2), three equivalent Y(1), one Cu(1), one Ga(4), and three equivalent Ga(2) atoms. There are four inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 10-coordinate geometry to one Y(2), three equivalent Y(1), two equivalent Cu(1), one Ga(3), and three equivalent Ga(4) atoms. In the second Ga site, Ga(2) is bonded in a 10-coordinate geometry to one Y(2), three equivalent Y(1), two equivalent Cu(1), three equivalent Cu(2), and one Ga(3) atom. In the third Ga site, Ga(3) is bonded to four equivalent Y(1), four equivalent Cu(1), two equivalent Ga(1), and two equivalent Ga(2) atoms to form GaY4Ga4Cu4 cuboctahedra that share edges with two equivalent Y(2)Ga8Cu4 cuboctahedra and faces with two equivalent Ga(3)Y4Ga4Cu4 cuboctahedra. In the fourth Ga site, Ga(4) is bonded in a 9-coordinate geometry to two equivalent Y(1), two equivalent Y(2), one Cu(1), one Cu(2), and three equivalent Ga(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Y3Ga7Cu4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.011
_cell_length_b   8.011
_cell_length_c   9.417
_cell_angle_alpha   54.095
_cell_angle_beta   54.095
_cell_angle_gamma   29.898
_symmetry_Int_Tables_number   1
_cell_volume   239.434
_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
  Y  Y0  1  0.309  0.309  0.701  1.0
  Y  Y1  1  0.691  0.691  0.299  1.0
  Y  Y2  1  0.000  0.000  0.000  1.0
  Ga  Ga3  1  0.862  0.862  0.417  1.0
  Ga  Ga4  1  0.138  0.138  0.583  1.0
  Ga  Ga5  1  0.137  0.137  0.135  1.0
  Ga  Ga6  1  0.863  0.863  0.865  1.0
  Ga  Ga7  1  0.000  0.000  0.500  1.0
  Ga  Ga8  1  0.341  0.341  0.277  1.0
  Ga  Ga9  1  0.659  0.659  0.723  1.0
  Cu  Cu10  1  0.496  0.496  0.298  1.0
  Cu  Cu11  1  0.504  0.504  0.702  1.0
  Cu  Cu12  1  0.660  0.660  0.980  1.0
  Cu  Cu13  1  0.340  0.340  0.020  1.0
[/CIF]
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The compound described by Y3Cu4Ga7 crystallizes in the monoclinic C2/m space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a 15-coordinate geometry to two equivalent Cu(1), three equivalent Cu(2), two equivalent Ga(3), two equivalent Ga(4), three equivalent Ga(1), and three equivalent Ga(2) atoms. In the second Y site, Y(2) is bonded to four equivalent Cu(2), two equivalent Ga(1), two equivalent Ga(2), and four equivalent Ga(4) atoms to form distorted YGa8Cu4 cuboctahedra that share edges with two equivalent Ga(3)Y4Ga4Cu4 cuboctahedra and faces with two equivalent Y(2)Ga8Cu4 cuboctahedra. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 10-coordinate geometry to two equivalent Y(1), one Cu(2), one Ga(4), two equivalent Ga(1), two equivalent Ga(2), and two equivalent Ga(3) atoms. In the second Cu site, Cu(2) is bonded in a 9-coordinate geometry to two equivalent Y(2), three equivalent Y(1), one Cu(1), one Ga(4), and three equivalent Ga(2) atoms. There are four inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 10-coordinate geometry to one Y(2), three equivalent Y(1), two equivalent Cu(1), one Ga(3), and three equivalent Ga(4) atoms. In the second Ga site, Ga(2) is bonded in a 10-coordinate geometry to one Y(2), three equivalent Y(1), two equivalent Cu(1), three equivalent Cu(2), and one Ga(3) atom. In the third Ga site, Ga(3) is bonded to four equivalent Y(1), four equivalent Cu(1), two equivalent Ga(1), and two equivalent Ga(2) atoms to form GaY4Ga4Cu4 cuboctahedra that share edges with two equivalent Y(2)Ga8Cu4 cuboctahedra and faces with two equivalent Ga(3)Y4Ga4Cu4 cuboctahedra. In the fourth Ga site, Ga(4) is bonded in a 9-coordinate geometry to two equivalent Y(1), two equivalent Y(2), one Cu(1), one Cu(2), and three equivalent Ga(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Y3Ga7Cu4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.011
_cell_length_b   8.011
_cell_length_c   9.417
_cell_angle_alpha   54.095
_cell_angle_beta   54.095
_cell_angle_gamma   29.898
_symmetry_Int_Tables_number   1
_cell_volume   239.434
_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
  Y  Y0  1  0.309  0.309  0.701  1.0
  Y  Y1  1  0.691  0.691  0.299  1.0
  Y  Y2  1  0.000  0.000  0.000  1.0
  Ga  Ga3  1  0.862  0.862  0.417  1.0
  Ga  Ga4  1  0.138  0.138  0.583  1.0
  Ga  Ga5  1  0.137  0.137  0.135  1.0
  Ga  Ga6  1  0.863  0.863  0.865  1.0
  Ga  Ga7  1  0.000  0.000  0.500  1.0
  Ga  Ga8  1  0.341  0.341  0.277  1.0
  Ga  Ga9  1  0.659  0.659  0.723  1.0
  Cu  Cu10  1  0.496  0.496  0.298  1.0
  Cu  Cu11  1  0.504  0.504  0.702  1.0
  Cu  Cu12  1  0.660  0.660  0.980  1.0
  Cu  Cu13  1  0.340  0.340  0.020  1.0
[/CIF]
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