The structure described by MgTi4MnNiZnO12 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 4-coordinate geometry to one O(11), one O(4), one O(5), and one O(7) atom. There are four inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 2-coordinate geometry to one O(10), one O(11), one O(2), one O(6), and one O(8) atom. In the second Ti site, Ti(2) is bonded in a 2-coordinate geometry to one O(1), one O(12), one O(5), one O(7), and one O(9) atom. In the third Ti site, Ti(3) is bonded in a 2-coordinate geometry to one O(12), one O(2), one O(4), one O(5), and one O(8) atom. In the fourth Ti site, Ti(4) is bonded in a 5-coordinate geometry to one O(1), one O(11), one O(3), one O(6), and one O(7) atom. Mn(1) is bonded in a 4-coordinate geometry to one O(12), one O(2), one O(6), and one O(9) atom. Ni(1) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(10), one O(11), and one O(5) atom. Zn(1) is bonded in a distorted rectangular see-saw-like geometry to one O(12), one O(3), one O(6), and one O(8) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Ti(2), one Ti(4), and one Ni(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Ti(1), one Ti(3), and one Mn(1) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Ti(4) and one Zn(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Mg(1) and one Ti(3) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Mg(1), one Ti(2), one Ti(3), and one Ni(1) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Ti(1), one Ti(4), one Mn(1), and one Zn(1) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Mg(1), one Ti(2), and one Ti(4) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Ti(1), one Ti(3), and one Zn(1) atom. In the ninth O site, O(9) is bonded in a distorted bent 120 degrees geometry to one Ti(2) and one Mn(1) atom. In the tenth O site, O(10) is bonded in a distorted bent 120 degrees geometry to one Ti(1) and one Ni(1) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Mg(1), one Ti(1), one Ti(4), and one Ni(1) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Ti(2), one Ti(3), one Mn(1), and one Zn(1) atom. is represented by the CIF card [CIF]
data_MgTi4MnZnNiO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.122
_cell_length_b   5.553
_cell_length_c   8.880
_cell_angle_alpha   105.393
_cell_angle_beta   90.009
_cell_angle_gamma   117.415
_symmetry_Int_Tables_number   1
_cell_volume   213.895
_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  0.532  0.885  0.180  1.0
  Ti  Ti1  1  0.715  0.864  0.571  1.0
  Ti  Ti2  1  0.220  0.360  0.074  1.0
  Ti  Ti3  1  0.783  0.636  0.931  1.0
  Ti  Ti4  1  0.283  0.141  0.424  1.0
  Mn  Mn5  1  0.462  0.106  0.820  1.0
  Zn  Zn6  1  0.040  0.402  0.678  1.0
  Ni  Ni7  1  0.973  0.620  0.325  1.0
  O  O8  1  0.509  0.458  0.281  1.0
  O  O9  1  0.994  0.952  0.781  1.0
  O  O10  1  0.037  0.262  0.472  1.0
  O  O11  1  0.541  0.757  0.981  1.0
  O  O12  1  0.065  0.626  0.114  1.0
  O  O13  1  0.562  0.126  0.606  1.0
  O  O14  1  0.993  0.040  0.218  1.0
  O  O15  1  0.493  0.547  0.718  1.0
  O  O16  1  0.464  0.236  0.028  1.0
  O  O17  1  0.959  0.736  0.523  1.0
  O  O18  1  0.434  0.870  0.387  1.0
  O  O19  1  0.943  0.378  0.888  1.0
[/CIF]
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The structure described by MgTi4MnNiZnO12 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 4-coordinate geometry to one O(11), one O(4), one O(5), and one O(7) atom. There are four inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 2-coordinate geometry to one O(10), one O(11), one O(2), one O(6), and one O(8) atom. In the second Ti site, Ti(2) is bonded in a 2-coordinate geometry to one O(1), one O(12), one O(5), one O(7), and one O(9) atom. In the third Ti site, Ti(3) is bonded in a 2-coordinate geometry to one O(12), one O(2), one O(4), one O(5), and one O(8) atom. In the fourth Ti site, Ti(4) is bonded in a 5-coordinate geometry to one O(1), one O(11), one O(3), one O(6), and one O(7) atom. Mn(1) is bonded in a 4-coordinate geometry to one O(12), one O(2), one O(6), and one O(9) atom. Ni(1) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(10), one O(11), and one O(5) atom. Zn(1) is bonded in a distorted rectangular see-saw-like geometry to one O(12), one O(3), one O(6), and one O(8) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Ti(2), one Ti(4), and one Ni(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Ti(1), one Ti(3), and one Mn(1) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Ti(4) and one Zn(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Mg(1) and one Ti(3) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Mg(1), one Ti(2), one Ti(3), and one Ni(1) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Ti(1), one Ti(4), one Mn(1), and one Zn(1) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Mg(1), one Ti(2), and one Ti(4) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Ti(1), one Ti(3), and one Zn(1) atom. In the ninth O site, O(9) is bonded in a distorted bent 120 degrees geometry to one Ti(2) and one Mn(1) atom. In the tenth O site, O(10) is bonded in a distorted bent 120 degrees geometry to one Ti(1) and one Ni(1) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Mg(1), one Ti(1), one Ti(4), and one Ni(1) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Ti(2), one Ti(3), one Mn(1), and one Zn(1) atom. is represented by the CIF card [CIF]
data_MgTi4MnZnNiO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.122
_cell_length_b   5.553
_cell_length_c   8.880
_cell_angle_alpha   105.393
_cell_angle_beta   90.009
_cell_angle_gamma   117.415
_symmetry_Int_Tables_number   1
_cell_volume   213.895
_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  0.532  0.885  0.180  1.0
  Ti  Ti1  1  0.715  0.864  0.571  1.0
  Ti  Ti2  1  0.220  0.360  0.074  1.0
  Ti  Ti3  1  0.783  0.636  0.931  1.0
  Ti  Ti4  1  0.283  0.141  0.424  1.0
  Mn  Mn5  1  0.462  0.106  0.820  1.0
  Zn  Zn6  1  0.040  0.402  0.678  1.0
  Ni  Ni7  1  0.973  0.620  0.325  1.0
  O  O8  1  0.509  0.458  0.281  1.0
  O  O9  1  0.994  0.952  0.781  1.0
  O  O10  1  0.037  0.262  0.472  1.0
  O  O11  1  0.541  0.757  0.981  1.0
  O  O12  1  0.065  0.626  0.114  1.0
  O  O13  1  0.562  0.126  0.606  1.0
  O  O14  1  0.993  0.040  0.218  1.0
  O  O15  1  0.493  0.547  0.718  1.0
  O  O16  1  0.464  0.236  0.028  1.0
  O  O17  1  0.959  0.736  0.523  1.0
  O  O18  1  0.434  0.870  0.387  1.0
  O  O19  1  0.943  0.378  0.888  1.0
[/CIF]
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