The compound described by MgTi4Zn2O10 crystallizes in the orthorhombic Pmm2 space group. Mg(1) is bonded in a 5-coordinate geometry to one Zn(2) and four 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 a mixture of distorted corner and edge-sharing TiO5 trigonal bipyramids. In the second Ti site, Ti(2) is bonded to one O(1), one O(3), one O(6), and two equivalent O(4) atoms to form a mixture of distorted corner and edge-sharing TiO5 trigonal bipyramids. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a distorted square co-planar geometry to four equivalent O(5) atoms. In the second Zn site, Zn(2) is bonded in a 3-coordinate geometry to one Mg(1) and two equivalent O(1) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ti(2) and two equivalent Zn(2) atoms to form distorted corner-sharing OTi2Zn2 tetrahedra. In the second O site, O(2) is bonded in a bent 150 degrees geometry to two equivalent Ti(1) atoms. In the third O site, O(3) is bonded in a 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 trigonal non-coplanar geometry to one Ti(1) and two equivalent Ti(2) atoms. In the fifth O site, O(5) is bonded in a trigonal non-coplanar geometry to one Ti(1) and two equivalent Zn(1) atoms. In the sixth O site, O(6) is bonded in a trigonal non-coplanar geometry to two equivalent Mg(1) and one Ti(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgTi4Zn2O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.345
_cell_length_b   6.978
_cell_length_c   12.437
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   290.299
_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  0.250  0.819  0.750  1.0
  Ti  Ti1  1  0.250  0.435  0.110  1.0
  Ti  Ti2  1  0.750  0.499  0.894  1.0
  Ti  Ti3  1  0.750  0.499  0.606  1.0
  Ti  Ti4  1  0.250  0.435  0.390  1.0
  Zn  Zn5  1  0.750  0.150  0.250  1.0
  Zn  Zn6  1  0.250  0.177  0.750  1.0
  O  O7  1  0.750  0.395  0.750  1.0
  O  O8  1  0.250  0.525  0.250  1.0
  O  O9  1  0.750  0.532  0.067  1.0
  O  O10  1  0.250  0.392  0.934  1.0
  O  O11  1  0.750  0.532  0.433  1.0
  O  O12  1  0.250  0.392  0.566  1.0
  O  O13  1  0.250  0.182  0.353  1.0
  O  O14  1  0.750  0.739  0.646  1.0
  O  O15  1  0.750  0.739  0.854  1.0
  O  O16  1  0.250  0.182  0.147  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 5-coordinate geometry to one Zn(2) and four 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 a mixture of distorted corner and edge-sharing TiO5 trigonal bipyramids. In the second Ti site, Ti(2) is bonded to one O(1), one O(3), one O(6), and two equivalent O(4) atoms to form a mixture of distorted corner and edge-sharing TiO5 trigonal bipyramids. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a distorted square co-planar geometry to four equivalent O(5) atoms. In the second Zn site, Zn(2) is bonded in a 3-coordinate geometry to one Mg(1) and two equivalent O(1) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ti(2) and two equivalent Zn(2) atoms to form distorted corner-sharing OTi2Zn2 tetrahedra. In the second O site, O(2) is bonded in a bent 150 degrees geometry to two equivalent Ti(1) atoms. In the third O site, O(3) is bonded in a 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 trigonal non-coplanar geometry to one Ti(1) and two equivalent Ti(2) atoms. In the fifth O site, O(5) is bonded in a trigonal non-coplanar geometry to one Ti(1) and two equivalent Zn(1) atoms. In the sixth O site, O(6) is bonded in a trigonal non-coplanar geometry to two equivalent Mg(1) and one Ti(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgTi4Zn2O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.345
_cell_length_b   6.978
_cell_length_c   12.437
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   290.299
_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  0.250  0.819  0.750  1.0
  Ti  Ti1  1  0.250  0.435  0.110  1.0
  Ti  Ti2  1  0.750  0.499  0.894  1.0
  Ti  Ti3  1  0.750  0.499  0.606  1.0
  Ti  Ti4  1  0.250  0.435  0.390  1.0
  Zn  Zn5  1  0.750  0.150  0.250  1.0
  Zn  Zn6  1  0.250  0.177  0.750  1.0
  O  O7  1  0.750  0.395  0.750  1.0
  O  O8  1  0.250  0.525  0.250  1.0
  O  O9  1  0.750  0.532  0.067  1.0
  O  O10  1  0.250  0.392  0.934  1.0
  O  O11  1  0.750  0.532  0.433  1.0
  O  O12  1  0.250  0.392  0.566  1.0
  O  O13  1  0.250  0.182  0.353  1.0
  O  O14  1  0.750  0.739  0.646  1.0
  O  O15  1  0.750  0.739  0.854  1.0
  O  O16  1  0.250  0.182  0.147  1.0
[/CIF]
.