The crystal structure described by Sr2MgTiMoO6 crystallizes in the triclinic P1 space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 8-coordinate geometry to one O(1), one O(3), one O(4), one O(5), two equivalent O(2), and two equivalent O(6) atoms. In the second Sr site, Sr(2) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. Mg(1) is bonded to one O(1), one O(2), one O(3), one O(4), and one O(5) atom to form MgO5 trigonal bipyramids that share corners with three equivalent Mo(1)O6 octahedra,  an edgeedge with one Mo(1)O6 octahedra, and edges with two equivalent Ti(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 9-60°. Ti(1) is bonded to one O(1), one O(2), one O(3), one O(4), and one O(6) atom to form TiO5 trigonal bipyramids that share corners with three equivalent Mo(1)O6 octahedra,  an edgeedge with one Mo(1)O6 octahedra, and edges with two equivalent Mg(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 11-56°. Mo(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form MoO6 octahedra that share corners with three equivalent Mg(1)O5 trigonal bipyramids, corners with three equivalent Ti(1)O5 trigonal bipyramids,  an edgeedge with one Mg(1)O5 trigonal bipyramid, and  an edgeedge with one Ti(1)O5 trigonal bipyramid. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Sr(1), one Sr(2), one Mg(1), one Ti(1), and one Mo(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Sr(2), two equivalent Sr(1), one Mg(1), one Ti(1), and one Mo(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Sr(1), one Sr(2), one Mg(1), one Ti(1), and one Mo(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal bipyramidal geometry to one Sr(1), one Sr(2), one Mg(1), one Ti(1), and one Mo(1) 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 Mo(1) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Sr(2), two equivalent Sr(1), one Ti(1), and one Mo(1) atom. is represented by the CIF file [CIF]
data_Sr2MgTiMoO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.343
_cell_length_b   6.034
_cell_length_c   5.596
_cell_angle_alpha   72.846
_cell_angle_beta   129.414
_cell_angle_gamma   128.126
_symmetry_Int_Tables_number   1
_cell_volume   148.742
_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  0.568  0.758  0.233  1.0
  Sr  Sr1  1  0.371  0.197  0.781  1.0
  Mg  Mg2  1  0.835  0.408  0.659  1.0
  Ti  Ti3  1  0.110  0.550  0.351  1.0
  Mo  Mo4  1  0.982  0.978  0.016  1.0
  O  O5  1  0.945  0.706  0.367  1.0
  O  O6  1  0.000  0.246  0.650  1.0
  O  O7  1  0.843  0.210  0.049  1.0
  O  O8  1  0.128  0.761  0.992  1.0
  O  O9  1  0.429  0.278  0.359  1.0
  O  O10  1  0.503  0.692  0.662  1.0
[/CIF]
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The crystal structure described by Sr2MgTiMoO6 crystallizes in the triclinic P1 space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 8-coordinate geometry to one O(1), one O(3), one O(4), one O(5), two equivalent O(2), and two equivalent O(6) atoms. In the second Sr site, Sr(2) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. Mg(1) is bonded to one O(1), one O(2), one O(3), one O(4), and one O(5) atom to form MgO5 trigonal bipyramids that share corners with three equivalent Mo(1)O6 octahedra,  an edgeedge with one Mo(1)O6 octahedra, and edges with two equivalent Ti(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 9-60°. Ti(1) is bonded to one O(1), one O(2), one O(3), one O(4), and one O(6) atom to form TiO5 trigonal bipyramids that share corners with three equivalent Mo(1)O6 octahedra,  an edgeedge with one Mo(1)O6 octahedra, and edges with two equivalent Mg(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 11-56°. Mo(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form MoO6 octahedra that share corners with three equivalent Mg(1)O5 trigonal bipyramids, corners with three equivalent Ti(1)O5 trigonal bipyramids,  an edgeedge with one Mg(1)O5 trigonal bipyramid, and  an edgeedge with one Ti(1)O5 trigonal bipyramid. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Sr(1), one Sr(2), one Mg(1), one Ti(1), and one Mo(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Sr(2), two equivalent Sr(1), one Mg(1), one Ti(1), and one Mo(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Sr(1), one Sr(2), one Mg(1), one Ti(1), and one Mo(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal bipyramidal geometry to one Sr(1), one Sr(2), one Mg(1), one Ti(1), and one Mo(1) 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 Mo(1) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Sr(2), two equivalent Sr(1), one Ti(1), and one Mo(1) atom. is represented by the CIF file [CIF]
data_Sr2MgTiMoO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.343
_cell_length_b   6.034
_cell_length_c   5.596
_cell_angle_alpha   72.846
_cell_angle_beta   129.414
_cell_angle_gamma   128.126
_symmetry_Int_Tables_number   1
_cell_volume   148.742
_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  0.568  0.758  0.233  1.0
  Sr  Sr1  1  0.371  0.197  0.781  1.0
  Mg  Mg2  1  0.835  0.408  0.659  1.0
  Ti  Ti3  1  0.110  0.550  0.351  1.0
  Mo  Mo4  1  0.982  0.978  0.016  1.0
  O  O5  1  0.945  0.706  0.367  1.0
  O  O6  1  0.000  0.246  0.650  1.0
  O  O7  1  0.843  0.210  0.049  1.0
  O  O8  1  0.128  0.761  0.992  1.0
  O  O9  1  0.429  0.278  0.359  1.0
  O  O10  1  0.503  0.692  0.662  1.0
[/CIF]
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