The material described by Sm2CuGa3 is hexagonal omega structure-derived structured and crystallizes in the orthorhombic Pmm2 space group. There are two inequivalent Sm sites. In the first Sm site, Sm(1) is bonded to two equivalent Cu(1), two equivalent Ga(3), four equivalent Ga(1), and four equivalent Ga(2) atoms to form SmGa10Cu2 cuboctahedra that share edges with four equivalent Sm(1)Ga10Cu2 cuboctahedra, edges with eight equivalent Sm(2)Ga8Cu4 cuboctahedra, faces with four equivalent Sm(1)Ga10Cu2 cuboctahedra, and faces with four equivalent Sm(2)Ga8Cu4 cuboctahedra. In the second Sm site, Sm(2) is bonded to four equivalent Cu(1), two equivalent Ga(1), two equivalent Ga(2), and four equivalent Ga(3) atoms to form SmGa8Cu4 cuboctahedra that share edges with four equivalent Sm(2)Ga8Cu4 cuboctahedra, edges with eight equivalent Sm(1)Ga10Cu2 cuboctahedra, faces with four equivalent Sm(1)Ga10Cu2 cuboctahedra, and faces with four equivalent Sm(2)Ga8Cu4 cuboctahedra. Cu(1) is bonded in a 9-coordinate geometry to two equivalent Sm(1), four equivalent Sm(2), one Ga(3), and two equivalent Ga(2) atoms. There are three inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 9-coordinate geometry to two equivalent Sm(2), four equivalent Sm(1), one Ga(2), and two equivalent Ga(3) atoms. In the second Ga site, Ga(2) is bonded in a 9-coordinate geometry to two equivalent Sm(2), four equivalent Sm(1), two equivalent Cu(1), and one Ga(1) atom. In the third Ga site, Ga(3) is bonded in a 9-coordinate geometry to two equivalent Sm(1), four equivalent Sm(2), one Cu(1), and two equivalent Ga(1) atoms. is represented by the CIF card [CIF]
data_Sm2Ga3Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.781
_cell_length_b   4.355
_cell_length_c   7.550
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   124.313
_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
  Sm  Sm0  1  0.000  0.500  0.004  1.0
  Sm  Sm1  1  0.000  0.000  0.497  1.0
  Ga  Ga2  1  0.500  0.000  0.836  1.0
  Ga  Ga3  1  0.500  0.000  0.175  1.0
  Ga  Ga4  1  0.500  0.500  0.658  1.0
  Cu  Cu5  1  0.500  0.500  0.331  1.0
[/CIF]
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The material described by Sm2CuGa3 is hexagonal omega structure-derived structured and crystallizes in the orthorhombic Pmm2 space group. There are two inequivalent Sm sites. In the first Sm site, Sm(1) is bonded to two equivalent Cu(1), two equivalent Ga(3), four equivalent Ga(1), and four equivalent Ga(2) atoms to form SmGa10Cu2 cuboctahedra that share edges with four equivalent Sm(1)Ga10Cu2 cuboctahedra, edges with eight equivalent Sm(2)Ga8Cu4 cuboctahedra, faces with four equivalent Sm(1)Ga10Cu2 cuboctahedra, and faces with four equivalent Sm(2)Ga8Cu4 cuboctahedra. In the second Sm site, Sm(2) is bonded to four equivalent Cu(1), two equivalent Ga(1), two equivalent Ga(2), and four equivalent Ga(3) atoms to form SmGa8Cu4 cuboctahedra that share edges with four equivalent Sm(2)Ga8Cu4 cuboctahedra, edges with eight equivalent Sm(1)Ga10Cu2 cuboctahedra, faces with four equivalent Sm(1)Ga10Cu2 cuboctahedra, and faces with four equivalent Sm(2)Ga8Cu4 cuboctahedra. Cu(1) is bonded in a 9-coordinate geometry to two equivalent Sm(1), four equivalent Sm(2), one Ga(3), and two equivalent Ga(2) atoms. There are three inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 9-coordinate geometry to two equivalent Sm(2), four equivalent Sm(1), one Ga(2), and two equivalent Ga(3) atoms. In the second Ga site, Ga(2) is bonded in a 9-coordinate geometry to two equivalent Sm(2), four equivalent Sm(1), two equivalent Cu(1), and one Ga(1) atom. In the third Ga site, Ga(3) is bonded in a 9-coordinate geometry to two equivalent Sm(1), four equivalent Sm(2), one Cu(1), and two equivalent Ga(1) atoms. is represented by the CIF card [CIF]
data_Sm2Ga3Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.781
_cell_length_b   4.355
_cell_length_c   7.550
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   124.313
_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
  Sm  Sm0  1  0.000  0.500  0.004  1.0
  Sm  Sm1  1  0.000  0.000  0.497  1.0
  Ga  Ga2  1  0.500  0.000  0.836  1.0
  Ga  Ga3  1  0.500  0.000  0.175  1.0
  Ga  Ga4  1  0.500  0.500  0.658  1.0
  Cu  Cu5  1  0.500  0.500  0.331  1.0
[/CIF]
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