The material structure described by MgHoTi2O6 crystallizes in the orthorhombic Pmn2_1 space group. Mg(1) is bonded in a 8-coordinate geometry to one O(1), one O(4), two equivalent O(3), and four equivalent O(2) atoms. Ho(1) is bonded in a 8-coordinate geometry to one O(1), one O(4), two equivalent O(2), and four equivalent O(3) atoms. Ti(1) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms to form corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 36-42°. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one Ho(1), and two equivalent Ti(1) atoms to form distorted corner-sharing OHoMgTi2 trigonal pyramids. In the second O site, O(2) is bonded in a 5-coordinate geometry to two equivalent Mg(1), one Ho(1), and two equivalent Ti(1) atoms. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Mg(1), two equivalent Ho(1), and two equivalent Ti(1) atoms. In the fourth O site, O(4) is bonded to one Mg(1), one Ho(1), and two equivalent Ti(1) atoms to form distorted corner-sharing OHoMgTi2 tetrahedra. is represented by the CIF card [CIF]
data_HoMgTi2O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.244
_cell_length_b   5.486
_cell_length_c   7.613
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   219.009
_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
  Ho  Ho0  1  0.016  0.681  0.000  1.0
  Ho  Ho1  1  0.516  0.319  0.500  1.0
  Mg  Mg2  1  0.488  0.200  0.000  1.0
  Mg  Mg3  1  0.988  0.800  0.500  1.0
  Ti  Ti4  1  0.001  0.242  0.750  1.0
  Ti  Ti5  1  0.001  0.242  0.250  1.0
  Ti  Ti6  1  0.501  0.758  0.250  1.0
  Ti  Ti7  1  0.501  0.758  0.750  1.0
  O  O8  1  0.108  0.195  0.500  1.0
  O  O9  1  0.193  0.948  0.811  1.0
  O  O10  1  0.193  0.948  0.189  1.0
  O  O11  1  0.314  0.441  0.812  1.0
  O  O12  1  0.314  0.441  0.188  1.0
  O  O13  1  0.372  0.712  0.500  1.0
  O  O14  1  0.608  0.805  0.000  1.0
  O  O15  1  0.693  0.052  0.311  1.0
  O  O16  1  0.693  0.052  0.689  1.0
  O  O17  1  0.814  0.559  0.688  1.0
  O  O18  1  0.814  0.559  0.312  1.0
  O  O19  1  0.872  0.288  0.000  1.0
[/CIF]
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The material structure described by MgHoTi2O6 crystallizes in the orthorhombic Pmn2_1 space group. Mg(1) is bonded in a 8-coordinate geometry to one O(1), one O(4), two equivalent O(3), and four equivalent O(2) atoms. Ho(1) is bonded in a 8-coordinate geometry to one O(1), one O(4), two equivalent O(2), and four equivalent O(3) atoms. Ti(1) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms to form corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 36-42°. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one Ho(1), and two equivalent Ti(1) atoms to form distorted corner-sharing OHoMgTi2 trigonal pyramids. In the second O site, O(2) is bonded in a 5-coordinate geometry to two equivalent Mg(1), one Ho(1), and two equivalent Ti(1) atoms. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Mg(1), two equivalent Ho(1), and two equivalent Ti(1) atoms. In the fourth O site, O(4) is bonded to one Mg(1), one Ho(1), and two equivalent Ti(1) atoms to form distorted corner-sharing OHoMgTi2 tetrahedra. is represented by the CIF card [CIF]
data_HoMgTi2O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.244
_cell_length_b   5.486
_cell_length_c   7.613
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   219.009
_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
  Ho  Ho0  1  0.016  0.681  0.000  1.0
  Ho  Ho1  1  0.516  0.319  0.500  1.0
  Mg  Mg2  1  0.488  0.200  0.000  1.0
  Mg  Mg3  1  0.988  0.800  0.500  1.0
  Ti  Ti4  1  0.001  0.242  0.750  1.0
  Ti  Ti5  1  0.001  0.242  0.250  1.0
  Ti  Ti6  1  0.501  0.758  0.250  1.0
  Ti  Ti7  1  0.501  0.758  0.750  1.0
  O  O8  1  0.108  0.195  0.500  1.0
  O  O9  1  0.193  0.948  0.811  1.0
  O  O10  1  0.193  0.948  0.189  1.0
  O  O11  1  0.314  0.441  0.812  1.0
  O  O12  1  0.314  0.441  0.188  1.0
  O  O13  1  0.372  0.712  0.500  1.0
  O  O14  1  0.608  0.805  0.000  1.0
  O  O15  1  0.693  0.052  0.311  1.0
  O  O16  1  0.693  0.052  0.689  1.0
  O  O17  1  0.814  0.559  0.688  1.0
  O  O18  1  0.814  0.559  0.312  1.0
  O  O19  1  0.872  0.288  0.000  1.0
[/CIF]
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