The crystal structure described by Lu(MnGa)6 crystallizes in the orthorhombic Fmmm space group. Lu(1) is bonded in a 20-coordinate geometry to four equivalent Mn(1), four equivalent Mn(2), four equivalent Ga(2), and eight equivalent Ga(1) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 4-coordinate geometry to two equivalent Lu(1), four equivalent Mn(2), and four equivalent Ga(1) atoms. In the second Mn site, Mn(2) is bonded in a 14-coordinate geometry to one Lu(1), two equivalent Mn(1), five equivalent Mn(2), two equivalent Ga(2), and four equivalent Ga(1) atoms. There are two inequivalent Ga sites. In the first Ga site, Ga(2) is bonded to two equivalent Lu(1), four equivalent Mn(2), two equivalent Ga(2), and four equivalent Ga(1) atoms to form a mixture of distorted corner and face-sharing GaLu2Mn4Ga6 cuboctahedra. In the second Ga site, Ga(1) is bonded in a 12-coordinate geometry to two equivalent Lu(1), two equivalent Mn(1), four equivalent Mn(2), two equivalent Ga(1), and two equivalent Ga(2) atoms. is represented by the CIF card [CIF]
data_Lu(MnGa)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.895
_cell_length_b   6.832
_cell_length_c   6.646
_cell_angle_alpha   82.578
_cell_angle_beta   49.610
_cell_angle_gamma   47.813
_symmetry_Int_Tables_number   1
_cell_volume   191.507
_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
  Lu  Lu0  1  0.000  0.000  0.000  1.0
  Mn  Mn1  1  0.000  0.000  0.500  1.0
  Mn  Mn2  1  0.500  0.500  0.000  1.0
  Mn  Mn3  1  0.996  0.353  0.647  1.0
  Mn  Mn4  1  0.004  0.647  0.353  1.0
  Mn  Mn5  1  0.647  0.004  0.996  1.0
  Mn  Mn6  1  0.353  0.996  0.004  1.0
  Ga  Ga7  1  0.510  0.263  0.737  1.0
  Ga  Ga8  1  0.490  0.737  0.263  1.0
  Ga  Ga9  1  0.737  0.490  0.510  1.0
  Ga  Ga10  1  0.263  0.510  0.490  1.0
  Ga  Ga11  1  0.500  0.000  0.500  1.0
  Ga  Ga12  1  0.000  0.500  0.000  1.0
[/CIF]
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The crystal structure described by Lu(MnGa)6 crystallizes in the orthorhombic Fmmm space group. Lu(1) is bonded in a 20-coordinate geometry to four equivalent Mn(1), four equivalent Mn(2), four equivalent Ga(2), and eight equivalent Ga(1) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 4-coordinate geometry to two equivalent Lu(1), four equivalent Mn(2), and four equivalent Ga(1) atoms. In the second Mn site, Mn(2) is bonded in a 14-coordinate geometry to one Lu(1), two equivalent Mn(1), five equivalent Mn(2), two equivalent Ga(2), and four equivalent Ga(1) atoms. There are two inequivalent Ga sites. In the first Ga site, Ga(2) is bonded to two equivalent Lu(1), four equivalent Mn(2), two equivalent Ga(2), and four equivalent Ga(1) atoms to form a mixture of distorted corner and face-sharing GaLu2Mn4Ga6 cuboctahedra. In the second Ga site, Ga(1) is bonded in a 12-coordinate geometry to two equivalent Lu(1), two equivalent Mn(1), four equivalent Mn(2), two equivalent Ga(1), and two equivalent Ga(2) atoms. is represented by the CIF card [CIF]
data_Lu(MnGa)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.895
_cell_length_b   6.832
_cell_length_c   6.646
_cell_angle_alpha   82.578
_cell_angle_beta   49.610
_cell_angle_gamma   47.813
_symmetry_Int_Tables_number   1
_cell_volume   191.507
_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
  Lu  Lu0  1  0.000  0.000  0.000  1.0
  Mn  Mn1  1  0.000  0.000  0.500  1.0
  Mn  Mn2  1  0.500  0.500  0.000  1.0
  Mn  Mn3  1  0.996  0.353  0.647  1.0
  Mn  Mn4  1  0.004  0.647  0.353  1.0
  Mn  Mn5  1  0.647  0.004  0.996  1.0
  Mn  Mn6  1  0.353  0.996  0.004  1.0
  Ga  Ga7  1  0.510  0.263  0.737  1.0
  Ga  Ga8  1  0.490  0.737  0.263  1.0
  Ga  Ga9  1  0.737  0.490  0.510  1.0
  Ga  Ga10  1  0.263  0.510  0.490  1.0
  Ga  Ga11  1  0.500  0.000  0.500  1.0
  Ga  Ga12  1  0.000  0.500  0.000  1.0
[/CIF]
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