The material structure described by Mg6LaTi is beta Cu3Ti-derived structured and crystallizes in the orthorhombic Amm2 space group. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), two equivalent La(1), and two equivalent Ti(1) atoms to form distorted MgLa2Mg8Ti2 cuboctahedra that share corners with four equivalent Mg(2)Mg10Ti2 cuboctahedra, corners with four equivalent Ti(1)La2Mg10 cuboctahedra, corners with ten equivalent Mg(1)La2Mg8Ti2 cuboctahedra, edges with two equivalent Mg(1)La2Mg8Ti2 cuboctahedra, edges with two equivalent Mg(2)Mg10Ti2 cuboctahedra, edges with two equivalent Ti(1)La2Mg10 cuboctahedra, edges with four equivalent Mg(4)La2Mg10 cuboctahedra, edges with four equivalent La(1)Mg10Ti2 cuboctahedra, faces with two equivalent Mg(4)La2Mg10 cuboctahedra, faces with two equivalent Mg(2)Mg10Ti2 cuboctahedra, faces with two equivalent La(1)Mg10Ti2 cuboctahedra, faces with two equivalent Ti(1)La2Mg10 cuboctahedra, and faces with four equivalent Mg(1)La2Mg8Ti2 cuboctahedra. In the second Mg site, Mg(2) is bonded to two equivalent Mg(4), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Ti(1) atoms to form MgMg10Ti2 cuboctahedra that share corners with four equivalent Ti(1)La2Mg10 cuboctahedra, corners with six equivalent Mg(2)Mg10Ti2 cuboctahedra, corners with eight equivalent Mg(1)La2Mg8Ti2 cuboctahedra, edges with two equivalent Ti(1)La2Mg10 cuboctahedra, edges with four equivalent Mg(4)La2Mg10 cuboctahedra, edges with four equivalent Mg(1)La2Mg8Ti2 cuboctahedra, faces with two equivalent Mg(4)La2Mg10 cuboctahedra, faces with two equivalent Mg(2)Mg10Ti2 cuboctahedra, faces with two equivalent Ti(1)La2Mg10 cuboctahedra, faces with four equivalent Mg(1)La2Mg8Ti2 cuboctahedra, and faces with six equivalent La(1)Mg10Ti2 cuboctahedra. In the third Mg site, Mg(3) is bonded in a 12-coordinate geometry to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), two equivalent La(1), and two equivalent Ti(1) atoms. In the fourth Mg site, Mg(4) is bonded to two equivalent Mg(2), four equivalent Mg(1), four equivalent Mg(3), and two equivalent La(1) atoms to form MgLa2Mg10 cuboctahedra that share corners with four equivalent La(1)Mg10Ti2 cuboctahedra, corners with six equivalent Mg(4)La2Mg10 cuboctahedra, edges with two equivalent La(1)Mg10Ti2 cuboctahedra, edges with four equivalent Mg(2)Mg10Ti2 cuboctahedra, edges with eight equivalent Mg(1)La2Mg8Ti2 cuboctahedra, faces with two equivalent Mg(4)La2Mg10 cuboctahedra, faces with two equivalent Mg(2)Mg10Ti2 cuboctahedra, faces with two equivalent La(1)Mg10Ti2 cuboctahedra, faces with four equivalent Mg(1)La2Mg8Ti2 cuboctahedra, and faces with six equivalent Ti(1)La2Mg10 cuboctahedra. La(1) is bonded to two equivalent Mg(4), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Ti(1) atoms to form LaMg10Ti2 cuboctahedra that share corners with four equivalent Mg(4)La2Mg10 cuboctahedra, corners with six equivalent La(1)Mg10Ti2 cuboctahedra, edges with two equivalent Mg(4)La2Mg10 cuboctahedra, edges with four equivalent Ti(1)La2Mg10 cuboctahedra, edges with eight equivalent Mg(1)La2Mg8Ti2 cuboctahedra, faces with two equivalent Mg(4)La2Mg10 cuboctahedra, faces with two equivalent La(1)Mg10Ti2 cuboctahedra, faces with two equivalent Ti(1)La2Mg10 cuboctahedra, faces with four equivalent Mg(1)La2Mg8Ti2 cuboctahedra, and faces with six equivalent Mg(2)Mg10Ti2 cuboctahedra. Ti(1) is bonded to two equivalent Mg(2), four equivalent Mg(1), four equivalent Mg(3), and two equivalent La(1) atoms to form TiLa2Mg10 cuboctahedra that share corners with four equivalent Mg(2)Mg10Ti2 cuboctahedra, corners with six equivalent Ti(1)La2Mg10 cuboctahedra, corners with eight equivalent Mg(1)La2Mg8Ti2 cuboctahedra, edges with two equivalent Mg(2)Mg10Ti2 cuboctahedra, edges with four equivalent Mg(1)La2Mg8Ti2 cuboctahedra, edges with four equivalent La(1)Mg10Ti2 cuboctahedra, faces with two equivalent Mg(2)Mg10Ti2 cuboctahedra, faces with two equivalent La(1)Mg10Ti2 cuboctahedra, faces with two equivalent Ti(1)La2Mg10 cuboctahedra, faces with four equivalent Mg(1)La2Mg8Ti2 cuboctahedra, and faces with six equivalent Mg(4)La2Mg10 cuboctahedra. is represented by the CIF card [CIF]
data_LaMg6Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.169
_cell_length_b   6.613
_cell_length_c   6.613
_cell_angle_alpha   119.842
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   196.079
_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
  La  La0  1  0.500  0.330  0.670  1.0
  Mg  Mg1  1  1.000  0.678  0.839  1.0
  Mg  Mg2  1  0.000  0.161  0.322  1.0
  Mg  Mg3  1  0.000  0.666  0.334  1.0
  Mg  Mg4  1  0.500  0.845  0.678  1.0
  Mg  Mg5  1  0.500  0.322  0.155  1.0
  Mg  Mg6  1  0.500  0.836  0.164  1.0
  Ti  Ti7  1  0.000  0.162  0.838  1.0
[/CIF]
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The material structure described by Mg6LaTi is beta Cu3Ti-derived structured and crystallizes in the orthorhombic Amm2 space group. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), two equivalent La(1), and two equivalent Ti(1) atoms to form distorted MgLa2Mg8Ti2 cuboctahedra that share corners with four equivalent Mg(2)Mg10Ti2 cuboctahedra, corners with four equivalent Ti(1)La2Mg10 cuboctahedra, corners with ten equivalent Mg(1)La2Mg8Ti2 cuboctahedra, edges with two equivalent Mg(1)La2Mg8Ti2 cuboctahedra, edges with two equivalent Mg(2)Mg10Ti2 cuboctahedra, edges with two equivalent Ti(1)La2Mg10 cuboctahedra, edges with four equivalent Mg(4)La2Mg10 cuboctahedra, edges with four equivalent La(1)Mg10Ti2 cuboctahedra, faces with two equivalent Mg(4)La2Mg10 cuboctahedra, faces with two equivalent Mg(2)Mg10Ti2 cuboctahedra, faces with two equivalent La(1)Mg10Ti2 cuboctahedra, faces with two equivalent Ti(1)La2Mg10 cuboctahedra, and faces with four equivalent Mg(1)La2Mg8Ti2 cuboctahedra. In the second Mg site, Mg(2) is bonded to two equivalent Mg(4), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Ti(1) atoms to form MgMg10Ti2 cuboctahedra that share corners with four equivalent Ti(1)La2Mg10 cuboctahedra, corners with six equivalent Mg(2)Mg10Ti2 cuboctahedra, corners with eight equivalent Mg(1)La2Mg8Ti2 cuboctahedra, edges with two equivalent Ti(1)La2Mg10 cuboctahedra, edges with four equivalent Mg(4)La2Mg10 cuboctahedra, edges with four equivalent Mg(1)La2Mg8Ti2 cuboctahedra, faces with two equivalent Mg(4)La2Mg10 cuboctahedra, faces with two equivalent Mg(2)Mg10Ti2 cuboctahedra, faces with two equivalent Ti(1)La2Mg10 cuboctahedra, faces with four equivalent Mg(1)La2Mg8Ti2 cuboctahedra, and faces with six equivalent La(1)Mg10Ti2 cuboctahedra. In the third Mg site, Mg(3) is bonded in a 12-coordinate geometry to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), two equivalent La(1), and two equivalent Ti(1) atoms. In the fourth Mg site, Mg(4) is bonded to two equivalent Mg(2), four equivalent Mg(1), four equivalent Mg(3), and two equivalent La(1) atoms to form MgLa2Mg10 cuboctahedra that share corners with four equivalent La(1)Mg10Ti2 cuboctahedra, corners with six equivalent Mg(4)La2Mg10 cuboctahedra, edges with two equivalent La(1)Mg10Ti2 cuboctahedra, edges with four equivalent Mg(2)Mg10Ti2 cuboctahedra, edges with eight equivalent Mg(1)La2Mg8Ti2 cuboctahedra, faces with two equivalent Mg(4)La2Mg10 cuboctahedra, faces with two equivalent Mg(2)Mg10Ti2 cuboctahedra, faces with two equivalent La(1)Mg10Ti2 cuboctahedra, faces with four equivalent Mg(1)La2Mg8Ti2 cuboctahedra, and faces with six equivalent Ti(1)La2Mg10 cuboctahedra. La(1) is bonded to two equivalent Mg(4), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Ti(1) atoms to form LaMg10Ti2 cuboctahedra that share corners with four equivalent Mg(4)La2Mg10 cuboctahedra, corners with six equivalent La(1)Mg10Ti2 cuboctahedra, edges with two equivalent Mg(4)La2Mg10 cuboctahedra, edges with four equivalent Ti(1)La2Mg10 cuboctahedra, edges with eight equivalent Mg(1)La2Mg8Ti2 cuboctahedra, faces with two equivalent Mg(4)La2Mg10 cuboctahedra, faces with two equivalent La(1)Mg10Ti2 cuboctahedra, faces with two equivalent Ti(1)La2Mg10 cuboctahedra, faces with four equivalent Mg(1)La2Mg8Ti2 cuboctahedra, and faces with six equivalent Mg(2)Mg10Ti2 cuboctahedra. Ti(1) is bonded to two equivalent Mg(2), four equivalent Mg(1), four equivalent Mg(3), and two equivalent La(1) atoms to form TiLa2Mg10 cuboctahedra that share corners with four equivalent Mg(2)Mg10Ti2 cuboctahedra, corners with six equivalent Ti(1)La2Mg10 cuboctahedra, corners with eight equivalent Mg(1)La2Mg8Ti2 cuboctahedra, edges with two equivalent Mg(2)Mg10Ti2 cuboctahedra, edges with four equivalent Mg(1)La2Mg8Ti2 cuboctahedra, edges with four equivalent La(1)Mg10Ti2 cuboctahedra, faces with two equivalent Mg(2)Mg10Ti2 cuboctahedra, faces with two equivalent La(1)Mg10Ti2 cuboctahedra, faces with two equivalent Ti(1)La2Mg10 cuboctahedra, faces with four equivalent Mg(1)La2Mg8Ti2 cuboctahedra, and faces with six equivalent Mg(4)La2Mg10 cuboctahedra. is represented by the CIF card [CIF]
data_LaMg6Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.169
_cell_length_b   6.613
_cell_length_c   6.613
_cell_angle_alpha   119.842
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   196.079
_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
  La  La0  1  0.500  0.330  0.670  1.0
  Mg  Mg1  1  1.000  0.678  0.839  1.0
  Mg  Mg2  1  0.000  0.161  0.322  1.0
  Mg  Mg3  1  0.000  0.666  0.334  1.0
  Mg  Mg4  1  0.500  0.845  0.678  1.0
  Mg  Mg5  1  0.500  0.322  0.155  1.0
  Mg  Mg6  1  0.500  0.836  0.164  1.0
  Ti  Ti7  1  0.000  0.162  0.838  1.0
[/CIF]
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