The compound described by MgTi4Zn2O10 crystallizes in the orthorhombic Pmm2 space group. Mg(1) is bonded in a 3-coordinate geometry to one O(1) and two equivalent O(6) atoms. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(2), one O(4), one O(5), and two equivalent O(3) atoms to form distorted corner-sharing TiO5 trigonal bipyramids. In the second Ti site, Ti(2) is bonded in a 5-coordinate geometry to one O(1), one O(3), one O(6), and two equivalent O(4) atoms. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 6-coordinate geometry to two equivalent O(2) and four equivalent O(5) atoms. In the second Zn site, Zn(2) is bonded in a distorted bent 120 degrees geometry to two equivalent O(1) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Mg(1), two equivalent Ti(2), and two equivalent Zn(2) atoms. In the second O site, O(2) is bonded to two equivalent Ti(1) and two equivalent Zn(1) atoms to form corner-sharing OTi2Zn2 tetrahedra. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Ti(2) and two equivalent Ti(1) atoms. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Ti(1) and two equivalent Ti(2) atoms. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Ti(1) and two equivalent Zn(1) atoms. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Mg(1) and one Ti(2) atom. is represented by the CIF file [CIF]
data_MgTi4Zn2O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.637
_cell_length_b   4.919
_cell_length_c   12.459
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   222.868
_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  0.750  0.086  0.750  1.0
  Ti  Ti1  1  0.250  0.429  0.110  1.0
  Ti  Ti2  1  0.750  0.622  0.926  1.0
  Ti  Ti3  1  0.750  0.622  0.574  1.0
  Ti  Ti4  1  0.250  0.429  0.390  1.0
  Zn  Zn5  1  0.750  0.895  0.250  1.0
  Zn  Zn6  1  0.250  0.706  0.750  1.0
  O  O7  1  0.750  0.482  0.750  1.0
  O  O8  1  0.250  0.605  0.250  1.0
  O  O9  1  0.750  0.558  0.086  1.0
  O  O10  1  0.250  0.487  0.946  1.0
  O  O11  1  0.750  0.558  0.414  1.0
  O  O12  1  0.250  0.487  0.554  1.0
  O  O13  1  0.250  0.087  0.356  1.0
  O  O14  1  0.750  0.966  0.590  1.0
  O  O15  1  0.750  0.966  0.910  1.0
  O  O16  1  0.250  0.087  0.144  1.0
[/CIF]
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The compound described by MgTi4Zn2O10 crystallizes in the orthorhombic Pmm2 space group. Mg(1) is bonded in a 3-coordinate geometry to one O(1) and two equivalent O(6) atoms. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(2), one O(4), one O(5), and two equivalent O(3) atoms to form distorted corner-sharing TiO5 trigonal bipyramids. In the second Ti site, Ti(2) is bonded in a 5-coordinate geometry to one O(1), one O(3), one O(6), and two equivalent O(4) atoms. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 6-coordinate geometry to two equivalent O(2) and four equivalent O(5) atoms. In the second Zn site, Zn(2) is bonded in a distorted bent 120 degrees geometry to two equivalent O(1) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Mg(1), two equivalent Ti(2), and two equivalent Zn(2) atoms. In the second O site, O(2) is bonded to two equivalent Ti(1) and two equivalent Zn(1) atoms to form corner-sharing OTi2Zn2 tetrahedra. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Ti(2) and two equivalent Ti(1) atoms. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Ti(1) and two equivalent Ti(2) atoms. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Ti(1) and two equivalent Zn(1) atoms. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Mg(1) and one Ti(2) atom. is represented by the CIF file [CIF]
data_MgTi4Zn2O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.637
_cell_length_b   4.919
_cell_length_c   12.459
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   222.868
_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  0.750  0.086  0.750  1.0
  Ti  Ti1  1  0.250  0.429  0.110  1.0
  Ti  Ti2  1  0.750  0.622  0.926  1.0
  Ti  Ti3  1  0.750  0.622  0.574  1.0
  Ti  Ti4  1  0.250  0.429  0.390  1.0
  Zn  Zn5  1  0.750  0.895  0.250  1.0
  Zn  Zn6  1  0.250  0.706  0.750  1.0
  O  O7  1  0.750  0.482  0.750  1.0
  O  O8  1  0.250  0.605  0.250  1.0
  O  O9  1  0.750  0.558  0.086  1.0
  O  O10  1  0.250  0.487  0.946  1.0
  O  O11  1  0.750  0.558  0.414  1.0
  O  O12  1  0.250  0.487  0.554  1.0
  O  O13  1  0.250  0.087  0.356  1.0
  O  O14  1  0.750  0.966  0.590  1.0
  O  O15  1  0.750  0.966  0.910  1.0
  O  O16  1  0.250  0.087  0.144  1.0
[/CIF]
.