The crystal structure described by MgTb2TiO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic P2_1/c space group. Mg(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MgO6 octahedra that share corners with six equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 34-37°. Tb(1) is bonded in a 8-coordinate geometry to two equivalent O(1), three equivalent O(2), and three equivalent O(3) atoms. Ti(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form TiO6 octahedra that share corners with six equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 34-37°. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), two equivalent Tb(1), and one Ti(1) atom to form distorted corner-sharing OTb2MgTi trigonal pyramids. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Mg(1), three equivalent Tb(1), and one Ti(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Mg(1), three equivalent Tb(1), and one Ti(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Tb2MgTiO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.651
_cell_length_b   5.356
_cell_length_c   9.376
_cell_angle_alpha   55.590
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   234.150
_cell_formula_units_Z   2
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
  Tb  Tb0  1  0.065  0.729  0.753  1.0
  Tb  Tb1  1  0.935  0.271  0.247  1.0
  Tb  Tb2  1  0.565  0.271  0.747  1.0
  Tb  Tb3  1  0.435  0.729  0.253  1.0
  Mg  Mg4  1  0.500  0.500  0.000  1.0
  Mg  Mg5  1  0.000  0.500  0.500  1.0
  Ti  Ti6  1  0.500  0.000  0.500  1.0
  Ti  Ti7  1  0.000  0.000  0.000  1.0
  O  O8  1  0.458  0.869  0.743  1.0
  O  O9  1  0.542  0.131  0.257  1.0
  O  O10  1  0.958  0.131  0.757  1.0
  O  O11  1  0.042  0.869  0.243  1.0
  O  O12  1  0.793  0.749  0.563  1.0
  O  O13  1  0.207  0.251  0.437  1.0
  O  O14  1  0.293  0.251  0.937  1.0
  O  O15  1  0.707  0.749  0.063  1.0
  O  O16  1  0.310  0.649  0.553  1.0
  O  O17  1  0.690  0.351  0.447  1.0
  O  O18  1  0.810  0.351  0.947  1.0
  O  O19  1  0.190  0.649  0.053  1.0
[/CIF]
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The crystal structure described by MgTb2TiO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic P2_1/c space group. Mg(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MgO6 octahedra that share corners with six equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 34-37°. Tb(1) is bonded in a 8-coordinate geometry to two equivalent O(1), three equivalent O(2), and three equivalent O(3) atoms. Ti(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form TiO6 octahedra that share corners with six equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 34-37°. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), two equivalent Tb(1), and one Ti(1) atom to form distorted corner-sharing OTb2MgTi trigonal pyramids. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Mg(1), three equivalent Tb(1), and one Ti(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Mg(1), three equivalent Tb(1), and one Ti(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Tb2MgTiO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.651
_cell_length_b   5.356
_cell_length_c   9.376
_cell_angle_alpha   55.590
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   234.150
_cell_formula_units_Z   2
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
  Tb  Tb0  1  0.065  0.729  0.753  1.0
  Tb  Tb1  1  0.935  0.271  0.247  1.0
  Tb  Tb2  1  0.565  0.271  0.747  1.0
  Tb  Tb3  1  0.435  0.729  0.253  1.0
  Mg  Mg4  1  0.500  0.500  0.000  1.0
  Mg  Mg5  1  0.000  0.500  0.500  1.0
  Ti  Ti6  1  0.500  0.000  0.500  1.0
  Ti  Ti7  1  0.000  0.000  0.000  1.0
  O  O8  1  0.458  0.869  0.743  1.0
  O  O9  1  0.542  0.131  0.257  1.0
  O  O10  1  0.958  0.131  0.757  1.0
  O  O11  1  0.042  0.869  0.243  1.0
  O  O12  1  0.793  0.749  0.563  1.0
  O  O13  1  0.207  0.251  0.437  1.0
  O  O14  1  0.293  0.251  0.937  1.0
  O  O15  1  0.707  0.749  0.063  1.0
  O  O16  1  0.310  0.649  0.553  1.0
  O  O17  1  0.690  0.351  0.447  1.0
  O  O18  1  0.810  0.351  0.947  1.0
  O  O19  1  0.190  0.649  0.053  1.0
[/CIF]
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