The compound described by MgTi2(GeO3)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 4-coordinate geometry to one Ge(1), one O(4), one O(5), and one O(6) atom. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form distorted edge-sharing TiO6 octahedra. In the second Ti site, Ti(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form edge-sharing TiO6 octahedra. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a 4-coordinate geometry to one Mg(1), one O(1), one O(2), and one O(3) atom. In the second Ge site, Ge(2) is bonded in a distorted trigonal non-coplanar geometry to one O(4), one O(5), and one O(6) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Ti(1), one Ti(2), and one Ge(1) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Ti(1), one Ti(2), and one Ge(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Ti(1), one Ti(2), and one Ge(1) atom. In the fourth O site, O(4) is bonded to one Mg(1), one Ti(1), one Ti(2), and one Ge(2) atom to form a mixture of distorted edge and corner-sharing OMgTi2Ge trigonal pyramids. In the fifth O site, O(5) is bonded to one Mg(1), one Ti(1), one Ti(2), and one Ge(2) atom to form a mixture of distorted edge and corner-sharing OMgTi2Ge trigonal pyramids. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Ti(1), one Ti(2), and one Ge(2) atom. is represented by the CIF file [CIF]
data_MgTi2(GeO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.747
_cell_length_b   7.713
_cell_length_c   7.808
_cell_angle_alpha   38.396
_cell_angle_beta   38.102
_cell_angle_gamma   38.052
_symmetry_Int_Tables_number   1
_cell_volume   160.085
_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  0.279  0.286  0.283  1.0
  Ti  Ti1  1  0.172  0.152  0.142  1.0
  Ti  Ti2  1  0.825  0.832  0.845  1.0
  Ge  Ge3  1  0.404  0.410  0.405  1.0
  Ge  Ge4  1  0.595  0.595  0.596  1.0
  O  O5  1  0.118  0.773  0.453  1.0
  O  O6  1  0.451  0.120  0.763  1.0
  O  O7  1  0.768  0.454  0.117  1.0
  O  O8  1  0.223  0.534  0.912  1.0
  O  O9  1  0.539  0.908  0.224  1.0
  O  O10  1  0.904  0.223  0.538  1.0
[/CIF]
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The compound described by MgTi2(GeO3)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 4-coordinate geometry to one Ge(1), one O(4), one O(5), and one O(6) atom. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form distorted edge-sharing TiO6 octahedra. In the second Ti site, Ti(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form edge-sharing TiO6 octahedra. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a 4-coordinate geometry to one Mg(1), one O(1), one O(2), and one O(3) atom. In the second Ge site, Ge(2) is bonded in a distorted trigonal non-coplanar geometry to one O(4), one O(5), and one O(6) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Ti(1), one Ti(2), and one Ge(1) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Ti(1), one Ti(2), and one Ge(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Ti(1), one Ti(2), and one Ge(1) atom. In the fourth O site, O(4) is bonded to one Mg(1), one Ti(1), one Ti(2), and one Ge(2) atom to form a mixture of distorted edge and corner-sharing OMgTi2Ge trigonal pyramids. In the fifth O site, O(5) is bonded to one Mg(1), one Ti(1), one Ti(2), and one Ge(2) atom to form a mixture of distorted edge and corner-sharing OMgTi2Ge trigonal pyramids. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Ti(1), one Ti(2), and one Ge(2) atom. is represented by the CIF file [CIF]
data_MgTi2(GeO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.747
_cell_length_b   7.713
_cell_length_c   7.808
_cell_angle_alpha   38.396
_cell_angle_beta   38.102
_cell_angle_gamma   38.052
_symmetry_Int_Tables_number   1
_cell_volume   160.085
_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  0.279  0.286  0.283  1.0
  Ti  Ti1  1  0.172  0.152  0.142  1.0
  Ti  Ti2  1  0.825  0.832  0.845  1.0
  Ge  Ge3  1  0.404  0.410  0.405  1.0
  Ge  Ge4  1  0.595  0.595  0.596  1.0
  O  O5  1  0.118  0.773  0.453  1.0
  O  O6  1  0.451  0.120  0.763  1.0
  O  O7  1  0.768  0.454  0.117  1.0
  O  O8  1  0.223  0.534  0.912  1.0
  O  O9  1  0.539  0.908  0.224  1.0
  O  O10  1  0.904  0.223  0.538  1.0
[/CIF]
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