The compound described by BaMg6Ti crystallizes in the orthorhombic Amm2 space group. Ba(1) is bonded to two equivalent Mg(4), four equivalent Mg(1), four equivalent Mg(2), and two equivalent Ti(1) atoms to form BaMg10Ti2 cuboctahedra that share corners with four equivalent Ti(1)Ba2Mg10 cuboctahedra, corners with six equivalent Ba(1)Mg10Ti2 cuboctahedra, edges with two equivalent Ti(1)Ba2Mg10 cuboctahedra, faces with two equivalent Ba(1)Mg10Ti2 cuboctahedra, and faces with two equivalent Ti(1)Ba2Mg10 cuboctahedra. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 10-coordinate geometry to two equivalent Ba(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), and two equivalent Ti(1) atoms. In the second Mg site, Mg(2) is bonded in a 9-coordinate geometry to two equivalent Ba(1), one Mg(2), one Mg(3), one Mg(4), two equivalent Mg(1), and two equivalent Ti(1) atoms. In the third Mg site, Mg(3) is bonded in a 8-coordinate geometry to two equivalent Mg(2), four equivalent Mg(1), and two equivalent Ti(1) atoms. In the fourth Mg site, Mg(4) is bonded in a 8-coordinate geometry to two equivalent Ba(1), two equivalent Mg(2), and four equivalent Mg(1) atoms. Ti(1) is bonded to two equivalent Ba(1), two equivalent Mg(3), four equivalent Mg(1), and four equivalent Mg(2) atoms to form TiBa2Mg10 cuboctahedra that share corners with four equivalent Ba(1)Mg10Ti2 cuboctahedra, corners with six equivalent Ti(1)Ba2Mg10 cuboctahedra, edges with two equivalent Ba(1)Mg10Ti2 cuboctahedra, faces with two equivalent Ba(1)Mg10Ti2 cuboctahedra, and faces with two equivalent Ti(1)Ba2Mg10 cuboctahedra. is represented by the CIF file [CIF]
data_BaMg6Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.270
_cell_length_b   6.705
_cell_length_c   6.705
_cell_angle_alpha   116.670
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   211.731
_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
  Ba  Ba0  1  0.500  0.665  0.335  1.0
  Mg  Mg1  1  0.500  0.666  0.834  1.0
  Mg  Mg2  1  0.500  0.166  0.334  1.0
  Mg  Mg3  1  0.000  0.865  0.695  1.0
  Mg  Mg4  1  0.000  0.305  0.135  1.0
  Mg  Mg5  1  0.000  0.328  0.672  1.0
  Mg  Mg6  1  0.000  0.853  0.147  1.0
  Ti  Ti7  1  0.500  0.151  0.849  1.0
[/CIF]
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The compound described by BaMg6Ti crystallizes in the orthorhombic Amm2 space group. Ba(1) is bonded to two equivalent Mg(4), four equivalent Mg(1), four equivalent Mg(2), and two equivalent Ti(1) atoms to form BaMg10Ti2 cuboctahedra that share corners with four equivalent Ti(1)Ba2Mg10 cuboctahedra, corners with six equivalent Ba(1)Mg10Ti2 cuboctahedra, edges with two equivalent Ti(1)Ba2Mg10 cuboctahedra, faces with two equivalent Ba(1)Mg10Ti2 cuboctahedra, and faces with two equivalent Ti(1)Ba2Mg10 cuboctahedra. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 10-coordinate geometry to two equivalent Ba(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), and two equivalent Ti(1) atoms. In the second Mg site, Mg(2) is bonded in a 9-coordinate geometry to two equivalent Ba(1), one Mg(2), one Mg(3), one Mg(4), two equivalent Mg(1), and two equivalent Ti(1) atoms. In the third Mg site, Mg(3) is bonded in a 8-coordinate geometry to two equivalent Mg(2), four equivalent Mg(1), and two equivalent Ti(1) atoms. In the fourth Mg site, Mg(4) is bonded in a 8-coordinate geometry to two equivalent Ba(1), two equivalent Mg(2), and four equivalent Mg(1) atoms. Ti(1) is bonded to two equivalent Ba(1), two equivalent Mg(3), four equivalent Mg(1), and four equivalent Mg(2) atoms to form TiBa2Mg10 cuboctahedra that share corners with four equivalent Ba(1)Mg10Ti2 cuboctahedra, corners with six equivalent Ti(1)Ba2Mg10 cuboctahedra, edges with two equivalent Ba(1)Mg10Ti2 cuboctahedra, faces with two equivalent Ba(1)Mg10Ti2 cuboctahedra, and faces with two equivalent Ti(1)Ba2Mg10 cuboctahedra. is represented by the CIF file [CIF]
data_BaMg6Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.270
_cell_length_b   6.705
_cell_length_c   6.705
_cell_angle_alpha   116.670
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   211.731
_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
  Ba  Ba0  1  0.500  0.665  0.335  1.0
  Mg  Mg1  1  0.500  0.666  0.834  1.0
  Mg  Mg2  1  0.500  0.166  0.334  1.0
  Mg  Mg3  1  0.000  0.865  0.695  1.0
  Mg  Mg4  1  0.000  0.305  0.135  1.0
  Mg  Mg5  1  0.000  0.328  0.672  1.0
  Mg  Mg6  1  0.000  0.853  0.147  1.0
  Ti  Ti7  1  0.500  0.151  0.849  1.0
[/CIF]
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