The material described by MgHo4Ti2O10 crystallizes in the triclinic P-1 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 two equivalent Ti(2)O6 octahedra and edges with two equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles are 42°. There are two inequivalent Ho sites. In the first Ho site, Ho(1) is bonded in a 8-coordinate geometry to one O(3), one O(4), two equivalent O(1), two equivalent O(2), and two equivalent O(5) atoms. In the second Ho site, Ho(2) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(4), two equivalent O(3), and two equivalent O(5) atoms. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form TiO6 octahedra that share corners with two equivalent Ti(2)O6 octahedra and edges with two equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles are 55°. In the second Ti site, Ti(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms to form TiO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra and corners with two equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-55°. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one Ho(2), two equivalent Ho(1), and one Ti(1) atom to form distorted OHo3MgTi square pyramids that share corners with two equivalent O(1)Ho3MgTi square pyramids, corners with four equivalent O(5)Ho4Ti trigonal bipyramids, corners with three equivalent O(4)Ho2Ti2 trigonal pyramids,  an edgeedge with one O(1)Ho3MgTi square pyramid,  an edgeedge with one O(5)Ho4Ti trigonal bipyramid, edges with four equivalent O(3)Ho3MgTi trigonal bipyramids, and  an edgeedge with one O(4)Ho2Ti2 trigonal pyramid. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Mg(1), one Ho(2), two equivalent Ho(1), and one Ti(2) atom. In the third O site, O(3) is bonded to one Mg(1), one Ho(1), two equivalent Ho(2), and one Ti(1) atom to form distorted OHo3MgTi trigonal bipyramids that share corners with two equivalent O(3)Ho3MgTi trigonal bipyramids, corners with four equivalent O(5)Ho4Ti trigonal bipyramids,  a cornercorner with one O(4)Ho2Ti2 trigonal pyramid, edges with four equivalent O(1)Ho3MgTi square pyramids,  an edgeedge with one O(3)Ho3MgTi trigonal bipyramid,  an edgeedge with one O(5)Ho4Ti trigonal bipyramid, and edges with two equivalent O(4)Ho2Ti2 trigonal pyramids. In the fourth O site, O(4) is bonded to one Ho(1), one Ho(2), one Ti(1), and one Ti(2) atom to form distorted OHo2Ti2 trigonal pyramids that share corners with three equivalent O(1)Ho3MgTi square pyramids,  a cornercorner with one O(3)Ho3MgTi trigonal bipyramid, corners with two equivalent O(5)Ho4Ti trigonal bipyramids, corners with two equivalent O(4)Ho2Ti2 trigonal pyramids,  an edgeedge with one O(1)Ho3MgTi square pyramid, edges with two equivalent O(3)Ho3MgTi trigonal bipyramids, and edges with two equivalent O(5)Ho4Ti trigonal bipyramids. In the fifth O site, O(5) is bonded to two equivalent Ho(1), two equivalent Ho(2), and one Ti(2) atom to form distorted OHo4Ti trigonal bipyramids that share corners with four equivalent O(1)Ho3MgTi square pyramids,  a cornercorner with one O(5)Ho4Ti trigonal bipyramid, corners with four equivalent O(3)Ho3MgTi trigonal bipyramids, corners with two equivalent O(4)Ho2Ti2 trigonal pyramids,  an edgeedge with one O(1)Ho3MgTi square pyramid,  an edgeedge with one O(3)Ho3MgTi trigonal bipyramid, edges with two equivalent O(5)Ho4Ti trigonal bipyramids, and edges with two equivalent O(4)Ho2Ti2 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ho4MgTi2O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.285
_cell_length_b   6.742
_cell_length_c   7.770
_cell_angle_alpha   66.655
_cell_angle_beta   118.353
_cell_angle_gamma   131.797
_symmetry_Int_Tables_number   1
_cell_volume   214.423
_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
  Ho  Ho0  1  0.289  0.501  0.740  1.0
  Ho  Ho1  1  0.289  0.605  0.242  1.0
  Ho  Ho2  1  0.711  0.395  0.758  1.0
  Ho  Ho3  1  0.711  0.499  0.260  1.0
  Mg  Mg4  1  0.500  0.000  0.500  1.0
  Ti  Ti5  1  0.000  0.000  0.500  1.0
  Ti  Ti6  1  0.000  0.000  0.000  1.0
  O  O7  1  0.053  0.693  0.578  1.0
  O  O8  1  0.293  0.953  0.216  1.0
  O  O9  1  0.584  0.725  0.550  1.0
  O  O10  1  0.224  0.123  0.772  1.0
  O  O11  1  0.780  0.589  0.974  1.0
  O  O12  1  0.220  0.411  0.026  1.0
  O  O13  1  0.776  0.877  0.228  1.0
  O  O14  1  0.416  0.275  0.450  1.0
  O  O15  1  0.707  0.047  0.784  1.0
  O  O16  1  0.947  0.307  0.422  1.0
[/CIF]
.
The material described by MgHo4Ti2O10 crystallizes in the triclinic P-1 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 two equivalent Ti(2)O6 octahedra and edges with two equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles are 42°. There are two inequivalent Ho sites. In the first Ho site, Ho(1) is bonded in a 8-coordinate geometry to one O(3), one O(4), two equivalent O(1), two equivalent O(2), and two equivalent O(5) atoms. In the second Ho site, Ho(2) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(4), two equivalent O(3), and two equivalent O(5) atoms. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form TiO6 octahedra that share corners with two equivalent Ti(2)O6 octahedra and edges with two equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles are 55°. In the second Ti site, Ti(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms to form TiO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra and corners with two equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-55°. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one Ho(2), two equivalent Ho(1), and one Ti(1) atom to form distorted OHo3MgTi square pyramids that share corners with two equivalent O(1)Ho3MgTi square pyramids, corners with four equivalent O(5)Ho4Ti trigonal bipyramids, corners with three equivalent O(4)Ho2Ti2 trigonal pyramids,  an edgeedge with one O(1)Ho3MgTi square pyramid,  an edgeedge with one O(5)Ho4Ti trigonal bipyramid, edges with four equivalent O(3)Ho3MgTi trigonal bipyramids, and  an edgeedge with one O(4)Ho2Ti2 trigonal pyramid. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Mg(1), one Ho(2), two equivalent Ho(1), and one Ti(2) atom. In the third O site, O(3) is bonded to one Mg(1), one Ho(1), two equivalent Ho(2), and one Ti(1) atom to form distorted OHo3MgTi trigonal bipyramids that share corners with two equivalent O(3)Ho3MgTi trigonal bipyramids, corners with four equivalent O(5)Ho4Ti trigonal bipyramids,  a cornercorner with one O(4)Ho2Ti2 trigonal pyramid, edges with four equivalent O(1)Ho3MgTi square pyramids,  an edgeedge with one O(3)Ho3MgTi trigonal bipyramid,  an edgeedge with one O(5)Ho4Ti trigonal bipyramid, and edges with two equivalent O(4)Ho2Ti2 trigonal pyramids. In the fourth O site, O(4) is bonded to one Ho(1), one Ho(2), one Ti(1), and one Ti(2) atom to form distorted OHo2Ti2 trigonal pyramids that share corners with three equivalent O(1)Ho3MgTi square pyramids,  a cornercorner with one O(3)Ho3MgTi trigonal bipyramid, corners with two equivalent O(5)Ho4Ti trigonal bipyramids, corners with two equivalent O(4)Ho2Ti2 trigonal pyramids,  an edgeedge with one O(1)Ho3MgTi square pyramid, edges with two equivalent O(3)Ho3MgTi trigonal bipyramids, and edges with two equivalent O(5)Ho4Ti trigonal bipyramids. In the fifth O site, O(5) is bonded to two equivalent Ho(1), two equivalent Ho(2), and one Ti(2) atom to form distorted OHo4Ti trigonal bipyramids that share corners with four equivalent O(1)Ho3MgTi square pyramids,  a cornercorner with one O(5)Ho4Ti trigonal bipyramid, corners with four equivalent O(3)Ho3MgTi trigonal bipyramids, corners with two equivalent O(4)Ho2Ti2 trigonal pyramids,  an edgeedge with one O(1)Ho3MgTi square pyramid,  an edgeedge with one O(3)Ho3MgTi trigonal bipyramid, edges with two equivalent O(5)Ho4Ti trigonal bipyramids, and edges with two equivalent O(4)Ho2Ti2 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ho4MgTi2O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.285
_cell_length_b   6.742
_cell_length_c   7.770
_cell_angle_alpha   66.655
_cell_angle_beta   118.353
_cell_angle_gamma   131.797
_symmetry_Int_Tables_number   1
_cell_volume   214.423
_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
  Ho  Ho0  1  0.289  0.501  0.740  1.0
  Ho  Ho1  1  0.289  0.605  0.242  1.0
  Ho  Ho2  1  0.711  0.395  0.758  1.0
  Ho  Ho3  1  0.711  0.499  0.260  1.0
  Mg  Mg4  1  0.500  0.000  0.500  1.0
  Ti  Ti5  1  0.000  0.000  0.500  1.0
  Ti  Ti6  1  0.000  0.000  0.000  1.0
  O  O7  1  0.053  0.693  0.578  1.0
  O  O8  1  0.293  0.953  0.216  1.0
  O  O9  1  0.584  0.725  0.550  1.0
  O  O10  1  0.224  0.123  0.772  1.0
  O  O11  1  0.780  0.589  0.974  1.0
  O  O12  1  0.220  0.411  0.026  1.0
  O  O13  1  0.776  0.877  0.228  1.0
  O  O14  1  0.416  0.275  0.450  1.0
  O  O15  1  0.707  0.047  0.784  1.0
  O  O16  1  0.947  0.307  0.422  1.0
[/CIF]
.