The material described by Na2MgTi2O5 crystallizes in the triclinic P1 space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 5-coordinate geometry to one O(2), two equivalent O(4), and two equivalent O(5) atoms. In the second Na site, Na(2) is bonded in a 5-coordinate geometry to one O(3), two equivalent O(4), and two equivalent O(5) atoms. Mg(1) is bonded to one O(2), one O(4), and two equivalent O(1) atoms to form MgO4 trigonal pyramids that share corners with four equivalent Ti(1)O5 trigonal bipyramids, corners with two equivalent Mg(1)O4 trigonal pyramids, and  an edgeedge with one Ti(2)O5 trigonal bipyramid. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(3), one O(5), and two equivalent O(2) atoms to form TiO5 trigonal bipyramids that share  a cornercorner with one Ti(2)O5 trigonal bipyramid, corners with two equivalent Ti(1)O5 trigonal bipyramids, corners with four equivalent Mg(1)O4 trigonal pyramids, and edges with two equivalent Ti(2)O5 trigonal bipyramids. In the second Ti site, Ti(2) is bonded to one O(2), one O(4), one O(5), and two equivalent O(3) atoms to form TiO5 trigonal bipyramids that share  a cornercorner with one Ti(1)O5 trigonal bipyramid, corners with two equivalent Ti(2)O5 trigonal bipyramids, edges with two equivalent Ti(1)O5 trigonal bipyramids, and  an edgeedge with one Mg(1)O4 trigonal pyramid. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Mg(1) and one Ti(1) atom. In the second O site, O(2) is bonded to one Na(1), one Mg(1), one Ti(2), and two equivalent Ti(1) atoms to form ONaMgTi3 trigonal bipyramids that share  a cornercorner with one O(5)Na4Ti2 octahedra, corners with two equivalent O(2)NaMgTi3 trigonal bipyramids, edges with two equivalent O(5)Na4Ti2 octahedra, and edges with two equivalent O(3)NaTi3 tetrahedra. The corner-sharing octahedral tilt angles are 4°. In the third O site, O(3) is bonded to one Na(2), one Ti(1), and two equivalent Ti(2) atoms to form distorted ONaTi3 tetrahedra that share  a cornercorner with one O(5)Na4Ti2 octahedra, corners with two equivalent O(3)NaTi3 tetrahedra, edges with two equivalent O(5)Na4Ti2 octahedra, and edges with two equivalent O(2)NaMgTi3 trigonal bipyramids. The corner-sharing octahedral tilt angles are 9°. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to two equivalent Na(1), two equivalent Na(2), one Mg(1), and one Ti(2) atom. In the fifth O site, O(5) is bonded to two equivalent Na(1), two equivalent Na(2), one Ti(1), and one Ti(2) atom to form ONa4Ti2 octahedra that share  a cornercorner with one O(3)NaTi3 tetrahedra,  a cornercorner with one O(2)NaMgTi3 trigonal bipyramid, edges with two equivalent O(5)Na4Ti2 octahedra, edges with two equivalent O(3)NaTi3 tetrahedra, and edges with two equivalent O(2)NaMgTi3 trigonal bipyramids. is represented by the CIF card [CIF]
data_Na2MgTi2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.286
_cell_length_b   6.524
_cell_length_c   5.909
_cell_angle_alpha   88.328
_cell_angle_beta   89.684
_cell_angle_gamma   75.613
_symmetry_Int_Tables_number   1
_cell_volume   122.641
_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
  Na  Na0  1  0.517  0.951  0.292  1.0
  Na  Na1  1  0.463  0.080  0.705  1.0
  Mg  Mg2  1  0.733  0.543  0.506  1.0
  Ti  Ti3  1  0.154  0.693  0.940  1.0
  Ti  Ti4  1  0.851  0.299  0.094  1.0
  O  O5  1  0.154  0.702  0.606  1.0
  O  O6  1  0.691  0.620  0.167  1.0
  O  O7  1  0.322  0.359  0.933  1.0
  O  O8  1  0.882  0.238  0.411  1.0
  O  O9  1  0.002  0.995  0.002  1.0
[/CIF]
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The material described by Na2MgTi2O5 crystallizes in the triclinic P1 space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 5-coordinate geometry to one O(2), two equivalent O(4), and two equivalent O(5) atoms. In the second Na site, Na(2) is bonded in a 5-coordinate geometry to one O(3), two equivalent O(4), and two equivalent O(5) atoms. Mg(1) is bonded to one O(2), one O(4), and two equivalent O(1) atoms to form MgO4 trigonal pyramids that share corners with four equivalent Ti(1)O5 trigonal bipyramids, corners with two equivalent Mg(1)O4 trigonal pyramids, and  an edgeedge with one Ti(2)O5 trigonal bipyramid. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(3), one O(5), and two equivalent O(2) atoms to form TiO5 trigonal bipyramids that share  a cornercorner with one Ti(2)O5 trigonal bipyramid, corners with two equivalent Ti(1)O5 trigonal bipyramids, corners with four equivalent Mg(1)O4 trigonal pyramids, and edges with two equivalent Ti(2)O5 trigonal bipyramids. In the second Ti site, Ti(2) is bonded to one O(2), one O(4), one O(5), and two equivalent O(3) atoms to form TiO5 trigonal bipyramids that share  a cornercorner with one Ti(1)O5 trigonal bipyramid, corners with two equivalent Ti(2)O5 trigonal bipyramids, edges with two equivalent Ti(1)O5 trigonal bipyramids, and  an edgeedge with one Mg(1)O4 trigonal pyramid. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Mg(1) and one Ti(1) atom. In the second O site, O(2) is bonded to one Na(1), one Mg(1), one Ti(2), and two equivalent Ti(1) atoms to form ONaMgTi3 trigonal bipyramids that share  a cornercorner with one O(5)Na4Ti2 octahedra, corners with two equivalent O(2)NaMgTi3 trigonal bipyramids, edges with two equivalent O(5)Na4Ti2 octahedra, and edges with two equivalent O(3)NaTi3 tetrahedra. The corner-sharing octahedral tilt angles are 4°. In the third O site, O(3) is bonded to one Na(2), one Ti(1), and two equivalent Ti(2) atoms to form distorted ONaTi3 tetrahedra that share  a cornercorner with one O(5)Na4Ti2 octahedra, corners with two equivalent O(3)NaTi3 tetrahedra, edges with two equivalent O(5)Na4Ti2 octahedra, and edges with two equivalent O(2)NaMgTi3 trigonal bipyramids. The corner-sharing octahedral tilt angles are 9°. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to two equivalent Na(1), two equivalent Na(2), one Mg(1), and one Ti(2) atom. In the fifth O site, O(5) is bonded to two equivalent Na(1), two equivalent Na(2), one Ti(1), and one Ti(2) atom to form ONa4Ti2 octahedra that share  a cornercorner with one O(3)NaTi3 tetrahedra,  a cornercorner with one O(2)NaMgTi3 trigonal bipyramid, edges with two equivalent O(5)Na4Ti2 octahedra, edges with two equivalent O(3)NaTi3 tetrahedra, and edges with two equivalent O(2)NaMgTi3 trigonal bipyramids. is represented by the CIF card [CIF]
data_Na2MgTi2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.286
_cell_length_b   6.524
_cell_length_c   5.909
_cell_angle_alpha   88.328
_cell_angle_beta   89.684
_cell_angle_gamma   75.613
_symmetry_Int_Tables_number   1
_cell_volume   122.641
_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
  Na  Na0  1  0.517  0.951  0.292  1.0
  Na  Na1  1  0.463  0.080  0.705  1.0
  Mg  Mg2  1  0.733  0.543  0.506  1.0
  Ti  Ti3  1  0.154  0.693  0.940  1.0
  Ti  Ti4  1  0.851  0.299  0.094  1.0
  O  O5  1  0.154  0.702  0.606  1.0
  O  O6  1  0.691  0.620  0.167  1.0
  O  O7  1  0.322  0.359  0.933  1.0
  O  O8  1  0.882  0.238  0.411  1.0
  O  O9  1  0.002  0.995  0.002  1.0
[/CIF]
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