The compound described by MgTi2Cd2O6 is Orthorhombic Perovskite-derived structured and crystallizes in the triclinic P1 space group. Mg(1) 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. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in an octahedral geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. In the second Ti site, Ti(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. There are two inequivalent Cd sites. In the first Cd site, Cd(1) 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. In the second Cd site, Cd(2) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Mg(1), one Ti(1), one Ti(2), one Cd(1), and one Cd(2) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Mg(1), one Ti(1), one Ti(2), one Cd(1), and one Cd(2) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Mg(1), one Ti(1), one Ti(2), one Cd(1), and one Cd(2) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Mg(1), one Ti(1), one Ti(2), and one Cd(1) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Mg(1), one Ti(1), one Ti(2), and one Cd(1) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Mg(1), one Ti(1), one Ti(2), and one Cd(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgTi2Cd2O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.037
_cell_length_b   6.036
_cell_length_c   6.030
_cell_angle_alpha   54.786
_cell_angle_beta   54.795
_cell_angle_gamma   54.792
_symmetry_Int_Tables_number   1
_cell_volume   136.528
_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  0.791  0.791  0.792  1.0
  Ti  Ti1  1  0.979  0.979  0.980  1.0
  Ti  Ti2  1  0.168  0.165  0.167  1.0
  Cd  Cd3  1  0.586  0.585  0.585  1.0
  Cd  Cd4  1  0.406  0.405  0.406  1.0
  O  O5  1  0.838  0.365  0.945  1.0
  O  O6  1  0.365  0.945  0.840  1.0
  O  O7  1  0.944  0.838  0.366  1.0
  O  O8  1  0.078  0.560  0.032  1.0
  O  O9  1  0.033  0.075  0.561  1.0
  O  O10  1  0.562  0.031  0.077  1.0
[/CIF]
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The compound described by MgTi2Cd2O6 is Orthorhombic Perovskite-derived structured and crystallizes in the triclinic P1 space group. Mg(1) 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. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in an octahedral geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. In the second Ti site, Ti(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. There are two inequivalent Cd sites. In the first Cd site, Cd(1) 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. In the second Cd site, Cd(2) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Mg(1), one Ti(1), one Ti(2), one Cd(1), and one Cd(2) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Mg(1), one Ti(1), one Ti(2), one Cd(1), and one Cd(2) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Mg(1), one Ti(1), one Ti(2), one Cd(1), and one Cd(2) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Mg(1), one Ti(1), one Ti(2), and one Cd(1) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Mg(1), one Ti(1), one Ti(2), and one Cd(1) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Mg(1), one Ti(1), one Ti(2), and one Cd(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgTi2Cd2O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.037
_cell_length_b   6.036
_cell_length_c   6.030
_cell_angle_alpha   54.786
_cell_angle_beta   54.795
_cell_angle_gamma   54.792
_symmetry_Int_Tables_number   1
_cell_volume   136.528
_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  0.791  0.791  0.792  1.0
  Ti  Ti1  1  0.979  0.979  0.980  1.0
  Ti  Ti2  1  0.168  0.165  0.167  1.0
  Cd  Cd3  1  0.586  0.585  0.585  1.0
  Cd  Cd4  1  0.406  0.405  0.406  1.0
  O  O5  1  0.838  0.365  0.945  1.0
  O  O6  1  0.365  0.945  0.840  1.0
  O  O7  1  0.944  0.838  0.366  1.0
  O  O8  1  0.078  0.560  0.032  1.0
  O  O9  1  0.033  0.075  0.561  1.0
  O  O10  1  0.562  0.031  0.077  1.0
[/CIF]
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