The material structure described by MgTi2Nb2(CuO4)3 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 5-coordinate geometry to one O(1), one O(10), one O(11), one O(12), one O(6), and one O(8) atom. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 5-coordinate geometry to one O(1), one O(11), one O(2), one O(5), and one O(8) atom. In the second Ti site, Ti(2) is bonded to one O(1), one O(10), one O(12), one O(3), one O(4), and one O(9) atom to form distorted TiO6 octahedra that share corners with two equivalent Nb(1)O6 octahedra and corners with two equivalent Nb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-46°. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one O(10), one O(3), one O(5), one O(6), one O(7), and one O(8) atom to form distorted NbO6 octahedra that share corners with two equivalent Ti(2)O6 octahedra and corners with two equivalent Nb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 25-46°. In the second Nb site, Nb(2) is bonded to one O(11), one O(2), one O(4), one O(6), one O(7), and one O(9) atom to form NbO6 octahedra that share corners with two equivalent Ti(2)O6 octahedra and corners with two equivalent Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 25-46°. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted T-shaped geometry to one O(4), one O(5), and one O(9) atom. In the second Cu site, Cu(2) is bonded in a distorted square co-planar geometry to one O(10), one O(11), one O(2), and one O(3) atom. In the third Cu site, Cu(3) is bonded in a 5-coordinate geometry to one O(1), one O(12), one O(2), one O(3), and one O(7) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Mg(1), one Ti(1), one Ti(2), and one Cu(3) atom. In the second O site, O(2) is bonded to one Ti(1), one Nb(2), one Cu(2), and one Cu(3) atom to form OTiNbCu2 trigonal pyramids that share  a cornercorner with one O(10)MgTiNbCu trigonal pyramid and  an edgeedge with one O(3)TiNbCu2 trigonal pyramid. In the third O site, O(3) is bonded to one Ti(2), one Nb(1), one Cu(2), and one Cu(3) atom to form OTiNbCu2 trigonal pyramids that share corners with three equivalent O(10)MgTiNbCu trigonal pyramids and  an edgeedge with one O(2)TiNbCu2 trigonal pyramid. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Ti(2), one Nb(2), and one Cu(1) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Ti(1), one Nb(1), and one Cu(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Mg(1), one Nb(1), and one Nb(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Nb(1), one Nb(2), and one Cu(3) atom. In the eighth O site, O(8) is bonded in a distorted T-shaped geometry to one Mg(1), one Ti(1), and one Nb(1) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Ti(2), one Nb(2), and one Cu(1) atom. In the tenth O site, O(10) is bonded to one Mg(1), one Ti(2), one Nb(1), and one Cu(2) atom to form distorted corner-sharing OMgTiNbCu trigonal pyramids. In the eleventh O site, O(11) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Ti(1), one Nb(2), and one Cu(2) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Mg(1), one Ti(2), and one Cu(3) atom. is represented by the CIF file [CIF]
data_MgTi2Nb2(CuO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.598
_cell_length_b   7.004
_cell_length_c   6.482
_cell_angle_alpha   109.869
_cell_angle_beta   108.878
_cell_angle_gamma   108.952
_symmetry_Int_Tables_number   1
_cell_volume   232.604
_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  0.147  0.713  0.564  1.0
  Ti  Ti1  1  0.574  0.068  0.031  1.0
  Ti  Ti2  1  0.004  0.535  0.001  1.0
  Nb  Nb3  1  0.019  0.047  0.512  1.0
  Nb  Nb4  1  0.526  0.528  0.492  1.0
  Cu  Cu5  1  0.510  0.547  0.004  1.0
  Cu  Cu6  1  0.502  0.006  0.497  1.0
  Cu  Cu7  1  0.868  0.360  0.510  1.0
  O  O8  1  0.839  0.336  0.148  1.0
  O  O9  1  0.503  0.199  0.305  1.0
  O  O10  1  0.876  0.179  0.704  1.0
  O  O11  1  0.317  0.503  0.184  1.0
  O  O12  1  0.713  0.910  0.188  1.0
  O  O13  1  0.822  0.718  0.508  1.0
  O  O14  1  0.212  0.308  0.506  1.0
  O  O15  1  0.304  0.077  0.794  1.0
  O  O16  1  0.698  0.520  0.828  1.0
  O  O17  1  0.132  0.814  0.305  1.0
  O  O18  1  0.503  0.807  0.690  1.0
  O  O19  1  0.150  0.645  0.842  1.0
[/CIF]
.
The material structure described by MgTi2Nb2(CuO4)3 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 5-coordinate geometry to one O(1), one O(10), one O(11), one O(12), one O(6), and one O(8) atom. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 5-coordinate geometry to one O(1), one O(11), one O(2), one O(5), and one O(8) atom. In the second Ti site, Ti(2) is bonded to one O(1), one O(10), one O(12), one O(3), one O(4), and one O(9) atom to form distorted TiO6 octahedra that share corners with two equivalent Nb(1)O6 octahedra and corners with two equivalent Nb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-46°. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one O(10), one O(3), one O(5), one O(6), one O(7), and one O(8) atom to form distorted NbO6 octahedra that share corners with two equivalent Ti(2)O6 octahedra and corners with two equivalent Nb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 25-46°. In the second Nb site, Nb(2) is bonded to one O(11), one O(2), one O(4), one O(6), one O(7), and one O(9) atom to form NbO6 octahedra that share corners with two equivalent Ti(2)O6 octahedra and corners with two equivalent Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 25-46°. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted T-shaped geometry to one O(4), one O(5), and one O(9) atom. In the second Cu site, Cu(2) is bonded in a distorted square co-planar geometry to one O(10), one O(11), one O(2), and one O(3) atom. In the third Cu site, Cu(3) is bonded in a 5-coordinate geometry to one O(1), one O(12), one O(2), one O(3), and one O(7) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Mg(1), one Ti(1), one Ti(2), and one Cu(3) atom. In the second O site, O(2) is bonded to one Ti(1), one Nb(2), one Cu(2), and one Cu(3) atom to form OTiNbCu2 trigonal pyramids that share  a cornercorner with one O(10)MgTiNbCu trigonal pyramid and  an edgeedge with one O(3)TiNbCu2 trigonal pyramid. In the third O site, O(3) is bonded to one Ti(2), one Nb(1), one Cu(2), and one Cu(3) atom to form OTiNbCu2 trigonal pyramids that share corners with three equivalent O(10)MgTiNbCu trigonal pyramids and  an edgeedge with one O(2)TiNbCu2 trigonal pyramid. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Ti(2), one Nb(2), and one Cu(1) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Ti(1), one Nb(1), and one Cu(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Mg(1), one Nb(1), and one Nb(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Nb(1), one Nb(2), and one Cu(3) atom. In the eighth O site, O(8) is bonded in a distorted T-shaped geometry to one Mg(1), one Ti(1), and one Nb(1) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Ti(2), one Nb(2), and one Cu(1) atom. In the tenth O site, O(10) is bonded to one Mg(1), one Ti(2), one Nb(1), and one Cu(2) atom to form distorted corner-sharing OMgTiNbCu trigonal pyramids. In the eleventh O site, O(11) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Ti(1), one Nb(2), and one Cu(2) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Mg(1), one Ti(2), and one Cu(3) atom. is represented by the CIF file [CIF]
data_MgTi2Nb2(CuO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.598
_cell_length_b   7.004
_cell_length_c   6.482
_cell_angle_alpha   109.869
_cell_angle_beta   108.878
_cell_angle_gamma   108.952
_symmetry_Int_Tables_number   1
_cell_volume   232.604
_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  0.147  0.713  0.564  1.0
  Ti  Ti1  1  0.574  0.068  0.031  1.0
  Ti  Ti2  1  0.004  0.535  0.001  1.0
  Nb  Nb3  1  0.019  0.047  0.512  1.0
  Nb  Nb4  1  0.526  0.528  0.492  1.0
  Cu  Cu5  1  0.510  0.547  0.004  1.0
  Cu  Cu6  1  0.502  0.006  0.497  1.0
  Cu  Cu7  1  0.868  0.360  0.510  1.0
  O  O8  1  0.839  0.336  0.148  1.0
  O  O9  1  0.503  0.199  0.305  1.0
  O  O10  1  0.876  0.179  0.704  1.0
  O  O11  1  0.317  0.503  0.184  1.0
  O  O12  1  0.713  0.910  0.188  1.0
  O  O13  1  0.822  0.718  0.508  1.0
  O  O14  1  0.212  0.308  0.506  1.0
  O  O15  1  0.304  0.077  0.794  1.0
  O  O16  1  0.698  0.520  0.828  1.0
  O  O17  1  0.132  0.814  0.305  1.0
  O  O18  1  0.503  0.807  0.690  1.0
  O  O19  1  0.150  0.645  0.842  1.0
[/CIF]
.