The compound described by SrMg6Ti crystallizes in the orthorhombic Amm2 space group. Sr(1) is bonded to two equivalent Mg(4), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Ti(1) atoms to form SrMg10Ti2 cuboctahedra that share corners with four equivalent Mg(4)Sr2Mg10 cuboctahedra, corners with six equivalent Sr(1)Mg10Ti2 cuboctahedra, edges with two equivalent Mg(4)Sr2Mg10 cuboctahedra, edges with four equivalent Ti(1)Sr2Mg10 cuboctahedra, faces with two equivalent Sr(1)Mg10Ti2 cuboctahedra, faces with two equivalent Mg(4)Sr2Mg10 cuboctahedra, faces with two equivalent Ti(1)Sr2Mg10 cuboctahedra, and faces with six equivalent Mg(2)Mg10Ti2 cuboctahedra. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 11-coordinate geometry to two equivalent Sr(1), one Mg(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 to two equivalent Mg(4), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Ti(1) atoms to form distorted MgMg10Ti2 cuboctahedra that share corners with four equivalent Ti(1)Sr2Mg10 cuboctahedra, corners with six equivalent Mg(2)Mg10Ti2 cuboctahedra, edges with two equivalent Ti(1)Sr2Mg10 cuboctahedra, edges with four equivalent Mg(4)Sr2Mg10 cuboctahedra, faces with two equivalent Mg(2)Mg10Ti2 cuboctahedra, faces with two equivalent Mg(4)Sr2Mg10 cuboctahedra, faces with two equivalent Ti(1)Sr2Mg10 cuboctahedra, and faces with six equivalent Sr(1)Mg10Ti2 cuboctahedra. In the third Mg site, Mg(3) is bonded in a 11-coordinate geometry to two equivalent Sr(1), one Mg(3), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(4), and two equivalent Ti(1) atoms. In the fourth Mg site, Mg(4) is bonded to two equivalent Sr(1), two equivalent Mg(2), four equivalent Mg(1), and four equivalent Mg(3) atoms to form distorted MgSr2Mg10 cuboctahedra that share corners with four equivalent Sr(1)Mg10Ti2 cuboctahedra, corners with six equivalent Mg(4)Sr2Mg10 cuboctahedra, edges with two equivalent Sr(1)Mg10Ti2 cuboctahedra, edges with four equivalent Mg(2)Mg10Ti2 cuboctahedra, faces with two equivalent Sr(1)Mg10Ti2 cuboctahedra, faces with two equivalent Mg(2)Mg10Ti2 cuboctahedra, faces with two equivalent Mg(4)Sr2Mg10 cuboctahedra, and faces with six equivalent Ti(1)Sr2Mg10 cuboctahedra. Ti(1) is bonded to two equivalent Sr(1), two equivalent Mg(2), four equivalent Mg(1), and four equivalent Mg(3) atoms to form TiSr2Mg10 cuboctahedra that share corners with four equivalent Mg(2)Mg10Ti2 cuboctahedra, corners with six equivalent Ti(1)Sr2Mg10 cuboctahedra, edges with two equivalent Mg(2)Mg10Ti2 cuboctahedra, edges with four equivalent Sr(1)Mg10Ti2 cuboctahedra, faces with two equivalent Sr(1)Mg10Ti2 cuboctahedra, faces with two equivalent Mg(2)Mg10Ti2 cuboctahedra, faces with two equivalent Ti(1)Sr2Mg10 cuboctahedra, and faces with six equivalent Mg(4)Sr2Mg10 cuboctahedra. is represented by the CIF file [CIF]
data_SrMg6Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.225
_cell_length_b   6.641
_cell_length_c   6.641
_cell_angle_alpha   119.273
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   200.997
_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
  Mg  Mg0  1  0.000  0.687  0.847  1.0
  Mg  Mg1  1  0.000  0.153  0.313  1.0
  Mg  Mg2  1  0.000  0.660  0.340  1.0
  Mg  Mg3  1  0.500  0.858  0.682  1.0
  Mg  Mg4  1  0.500  0.318  0.142  1.0
  Mg  Mg5  1  0.500  0.834  0.166  1.0
  Sr  Sr6  1  0.500  0.340  0.660  1.0
  Ti  Ti7  1  0.000  0.150  0.850  1.0
[/CIF]
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The compound described by SrMg6Ti crystallizes in the orthorhombic Amm2 space group. Sr(1) is bonded to two equivalent Mg(4), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Ti(1) atoms to form SrMg10Ti2 cuboctahedra that share corners with four equivalent Mg(4)Sr2Mg10 cuboctahedra, corners with six equivalent Sr(1)Mg10Ti2 cuboctahedra, edges with two equivalent Mg(4)Sr2Mg10 cuboctahedra, edges with four equivalent Ti(1)Sr2Mg10 cuboctahedra, faces with two equivalent Sr(1)Mg10Ti2 cuboctahedra, faces with two equivalent Mg(4)Sr2Mg10 cuboctahedra, faces with two equivalent Ti(1)Sr2Mg10 cuboctahedra, and faces with six equivalent Mg(2)Mg10Ti2 cuboctahedra. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 11-coordinate geometry to two equivalent Sr(1), one Mg(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 to two equivalent Mg(4), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Ti(1) atoms to form distorted MgMg10Ti2 cuboctahedra that share corners with four equivalent Ti(1)Sr2Mg10 cuboctahedra, corners with six equivalent Mg(2)Mg10Ti2 cuboctahedra, edges with two equivalent Ti(1)Sr2Mg10 cuboctahedra, edges with four equivalent Mg(4)Sr2Mg10 cuboctahedra, faces with two equivalent Mg(2)Mg10Ti2 cuboctahedra, faces with two equivalent Mg(4)Sr2Mg10 cuboctahedra, faces with two equivalent Ti(1)Sr2Mg10 cuboctahedra, and faces with six equivalent Sr(1)Mg10Ti2 cuboctahedra. In the third Mg site, Mg(3) is bonded in a 11-coordinate geometry to two equivalent Sr(1), one Mg(3), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(4), and two equivalent Ti(1) atoms. In the fourth Mg site, Mg(4) is bonded to two equivalent Sr(1), two equivalent Mg(2), four equivalent Mg(1), and four equivalent Mg(3) atoms to form distorted MgSr2Mg10 cuboctahedra that share corners with four equivalent Sr(1)Mg10Ti2 cuboctahedra, corners with six equivalent Mg(4)Sr2Mg10 cuboctahedra, edges with two equivalent Sr(1)Mg10Ti2 cuboctahedra, edges with four equivalent Mg(2)Mg10Ti2 cuboctahedra, faces with two equivalent Sr(1)Mg10Ti2 cuboctahedra, faces with two equivalent Mg(2)Mg10Ti2 cuboctahedra, faces with two equivalent Mg(4)Sr2Mg10 cuboctahedra, and faces with six equivalent Ti(1)Sr2Mg10 cuboctahedra. Ti(1) is bonded to two equivalent Sr(1), two equivalent Mg(2), four equivalent Mg(1), and four equivalent Mg(3) atoms to form TiSr2Mg10 cuboctahedra that share corners with four equivalent Mg(2)Mg10Ti2 cuboctahedra, corners with six equivalent Ti(1)Sr2Mg10 cuboctahedra, edges with two equivalent Mg(2)Mg10Ti2 cuboctahedra, edges with four equivalent Sr(1)Mg10Ti2 cuboctahedra, faces with two equivalent Sr(1)Mg10Ti2 cuboctahedra, faces with two equivalent Mg(2)Mg10Ti2 cuboctahedra, faces with two equivalent Ti(1)Sr2Mg10 cuboctahedra, and faces with six equivalent Mg(4)Sr2Mg10 cuboctahedra. is represented by the CIF file [CIF]
data_SrMg6Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.225
_cell_length_b   6.641
_cell_length_c   6.641
_cell_angle_alpha   119.273
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   200.997
_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
  Mg  Mg0  1  0.000  0.687  0.847  1.0
  Mg  Mg1  1  0.000  0.153  0.313  1.0
  Mg  Mg2  1  0.000  0.660  0.340  1.0
  Mg  Mg3  1  0.500  0.858  0.682  1.0
  Mg  Mg4  1  0.500  0.318  0.142  1.0
  Mg  Mg5  1  0.500  0.834  0.166  1.0
  Sr  Sr6  1  0.500  0.340  0.660  1.0
  Ti  Ti7  1  0.000  0.150  0.850  1.0
[/CIF]
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