The compound described by MgLu3 crystallizes in the orthorhombic Cmmm space group. Mg(1) is bonded in a distorted body-centered cubic geometry to four equivalent Mg(1) and four equivalent Lu(1) atoms. There are two inequivalent Lu sites. In the first Lu site, Lu(1) is bonded in a distorted body-centered cubic geometry to two equivalent Mg(1), two equivalent Lu(2), and four equivalent Lu(1) atoms. In the second Lu site, Lu(2) is bonded in a distorted body-centered cubic geometry to four equivalent Lu(1) and four equivalent Lu(2) atoms. is represented by the CIF card [CIF]
data_Lu3Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.315
_cell_length_b   3.315
_cell_length_c   10.937
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   108.808
_symmetry_Int_Tables_number   1
_cell_volume   113.799
_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  0.500  0.500  0.751  1.0
  Lu  Lu1  1  0.000  0.000  0.500  1.0
  Lu  Lu2  1  0.500  0.500  0.249  1.0
  Mg  Mg3  1  0.000  0.000  0.000  1.0
[/CIF]
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The compound described by MgLu3 crystallizes in the orthorhombic Cmmm space group. Mg(1) is bonded in a distorted body-centered cubic geometry to four equivalent Mg(1) and four equivalent Lu(1) atoms. There are two inequivalent Lu sites. In the first Lu site, Lu(1) is bonded in a distorted body-centered cubic geometry to two equivalent Mg(1), two equivalent Lu(2), and four equivalent Lu(1) atoms. In the second Lu site, Lu(2) is bonded in a distorted body-centered cubic geometry to four equivalent Lu(1) and four equivalent Lu(2) atoms. is represented by the CIF card [CIF]
data_Lu3Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.315
_cell_length_b   3.315
_cell_length_c   10.937
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   108.808
_symmetry_Int_Tables_number   1
_cell_volume   113.799
_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  0.500  0.500  0.751  1.0
  Lu  Lu1  1  0.000  0.000  0.500  1.0
  Lu  Lu2  1  0.500  0.500  0.249  1.0
  Mg  Mg3  1  0.000  0.000  0.000  1.0
[/CIF]
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