The structure described by Sr2MgTi2O6 crystallizes in the triclinic P1 space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(4), one O(5), one O(6), and two equivalent O(3) atoms. In the second Sr site, Sr(2) is bonded in a 7-coordinate geometry to one O(2), one O(3), one O(4), one O(5), one O(6), and two equivalent O(1) atoms. Mg(1) is bonded to one O(1), one O(2), one O(4), and one O(5) atom to form MgO4 tetrahedra that share corners with two equivalent Ti(1)O4 tetrahedra and corners with three equivalent Ti(2)O5 trigonal bipyramids. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(2), one O(3), one O(4), and one O(6) atom to form TiO4 tetrahedra that share corners with two equivalent Mg(1)O4 tetrahedra and corners with three equivalent Ti(2)O5 trigonal bipyramids. In the second Ti site, Ti(2) is bonded to one O(1), one O(3), one O(4), one O(5), and one O(6) atom to form TiO5 trigonal bipyramids that share corners with three equivalent Mg(1)O4 tetrahedra and corners with three equivalent Ti(1)O4 tetrahedra. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Sr(1), two equivalent Sr(2), one Mg(1), and one Ti(2) atom. In the second O site, O(2) is bonded in a distorted trigonal pyramidal geometry to one Sr(1), one Sr(2), one Mg(1), and one Ti(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Sr(2), two equivalent Sr(1), one Ti(1), and one Ti(2) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Sr(1), one Sr(2), one Mg(1), one Ti(1), and one Ti(2) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Sr(1), one Sr(2), one Mg(1), and one Ti(2) atom. In the sixth O site, O(6) is bonded in a distorted see-saw-like geometry to one Sr(1), one Sr(2), one Ti(1), and one Ti(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr2MgTi2O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.218
_cell_length_b   5.814
_cell_length_c   6.735
_cell_angle_alpha   118.001
_cell_angle_beta   126.895
_cell_angle_gamma   88.747
_symmetry_Int_Tables_number   1
_cell_volume   159.847
_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
  Sr  Sr0  1  0.780  0.257  0.385  1.0
  Sr  Sr1  1  0.348  0.847  0.583  1.0
  Mg  Mg2  1  0.699  0.458  0.852  1.0
  Ti  Ti3  1  0.412  0.585  0.099  1.0
  Ti  Ti4  1  0.063  0.019  0.992  1.0
  O  O5  1  0.862  0.257  0.057  1.0
  O  O6  1  0.549  0.745  0.982  1.0
  O  O7  1  0.259  0.189  0.916  1.0
  O  O8  1  0.044  0.641  0.948  1.0
  O  O9  1  0.402  0.175  0.418  1.0
  O  O10  1  0.713  0.732  0.506  1.0
[/CIF]
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The structure described by Sr2MgTi2O6 crystallizes in the triclinic P1 space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(4), one O(5), one O(6), and two equivalent O(3) atoms. In the second Sr site, Sr(2) is bonded in a 7-coordinate geometry to one O(2), one O(3), one O(4), one O(5), one O(6), and two equivalent O(1) atoms. Mg(1) is bonded to one O(1), one O(2), one O(4), and one O(5) atom to form MgO4 tetrahedra that share corners with two equivalent Ti(1)O4 tetrahedra and corners with three equivalent Ti(2)O5 trigonal bipyramids. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(2), one O(3), one O(4), and one O(6) atom to form TiO4 tetrahedra that share corners with two equivalent Mg(1)O4 tetrahedra and corners with three equivalent Ti(2)O5 trigonal bipyramids. In the second Ti site, Ti(2) is bonded to one O(1), one O(3), one O(4), one O(5), and one O(6) atom to form TiO5 trigonal bipyramids that share corners with three equivalent Mg(1)O4 tetrahedra and corners with three equivalent Ti(1)O4 tetrahedra. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Sr(1), two equivalent Sr(2), one Mg(1), and one Ti(2) atom. In the second O site, O(2) is bonded in a distorted trigonal pyramidal geometry to one Sr(1), one Sr(2), one Mg(1), and one Ti(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Sr(2), two equivalent Sr(1), one Ti(1), and one Ti(2) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Sr(1), one Sr(2), one Mg(1), one Ti(1), and one Ti(2) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Sr(1), one Sr(2), one Mg(1), and one Ti(2) atom. In the sixth O site, O(6) is bonded in a distorted see-saw-like geometry to one Sr(1), one Sr(2), one Ti(1), and one Ti(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr2MgTi2O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.218
_cell_length_b   5.814
_cell_length_c   6.735
_cell_angle_alpha   118.001
_cell_angle_beta   126.895
_cell_angle_gamma   88.747
_symmetry_Int_Tables_number   1
_cell_volume   159.847
_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
  Sr  Sr0  1  0.780  0.257  0.385  1.0
  Sr  Sr1  1  0.348  0.847  0.583  1.0
  Mg  Mg2  1  0.699  0.458  0.852  1.0
  Ti  Ti3  1  0.412  0.585  0.099  1.0
  Ti  Ti4  1  0.063  0.019  0.992  1.0
  O  O5  1  0.862  0.257  0.057  1.0
  O  O6  1  0.549  0.745  0.982  1.0
  O  O7  1  0.259  0.189  0.916  1.0
  O  O8  1  0.044  0.641  0.948  1.0
  O  O9  1  0.402  0.175  0.418  1.0
  O  O10  1  0.713  0.732  0.506  1.0
[/CIF]
.