The structure described by NaLa2Ti2MnO9 is Orthorhombic Perovskite-derived structured and crystallizes in the triclinic P1 space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 11-coordinate geometry to one O(10), one O(11), one O(16), one O(2), one O(7), two equivalent O(1), two equivalent O(3), and two equivalent O(8) atoms. In the second Na site, Na(2) is bonded in a 7-coordinate geometry to one O(14), one O(15), one O(2), one O(6), one O(7), and two equivalent O(4) atoms. There are four inequivalent La sites. In the first La site, La(1) is bonded in a 12-coordinate geometry to one O(1), one O(14), one O(3), one O(4), one O(6), one O(8), two equivalent O(10), two equivalent O(2), and two equivalent O(7) atoms. In the second La site, La(2) is bonded in a 5-coordinate geometry to one O(12), one O(13), one O(17), one O(4), and one O(5) atom. In the third La site, La(3) is bonded in a 12-coordinate geometry to one O(1), one O(12), one O(17), one O(3), one O(8), one O(9), two equivalent O(11), two equivalent O(16), and two equivalent O(18) atoms. In the fourth La site, La(4) is bonded in a 5-coordinate geometry to one O(12), one O(13), one O(17), one O(18), and one O(5) atom. There are four inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(11), one O(16), one O(18), one O(3), and one O(8) atom to form TiO6 octahedra that share corners with three equivalent Ti(4)O6 octahedra and corners with three equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-25°. In the second Ti site, Ti(2) is bonded to one O(13), one O(14), one O(15), one O(4), one O(5), and one O(6) atom to form TiO6 octahedra that share corners with three equivalent Ti(3)O6 octahedra and corners with three equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 16-25°. In the third Ti site, Ti(3) is bonded to one O(10), one O(14), one O(2), one O(4), one O(6), and one O(7) atom to form corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 16-25°. In the fourth Ti site, Ti(4) is bonded to one O(1), one O(10), one O(2), one O(3), one O(7), and one O(8) atom to form corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 16-24°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(12), one O(13), one O(15), one O(17), one O(5), and one O(9) atom to form MnO6 octahedra that share corners with three equivalent Ti(2)O6 octahedra and corners with three equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 17-23°. In the second Mn site, Mn(2) is bonded to one O(11), one O(12), one O(16), one O(17), one O(18), and one O(9) atom to form MnO6 octahedra that share corners with three equivalent Ti(1)O6 octahedra and corners with three equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-25°. There are eighteen inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Na(1), one La(1), one La(3), one Ti(1), and one Ti(4) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Na(1), one Na(2), two equivalent La(1), one Ti(3), and one Ti(4) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Na(1), one La(1), one La(3), one Ti(1), and one Ti(4) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to two equivalent Na(2), one La(1), one La(2), one Ti(2), and one Ti(3) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one La(2), one La(4), one Ti(2), and one Mn(1) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Na(2), one La(1), one Ti(2), and one Ti(3) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Na(1), one Na(2), two equivalent La(1), one Ti(3), and one Ti(4) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to two equivalent Na(1), one La(1), one La(3), one Ti(1), and one Ti(4) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one La(3), one Mn(1), and one Mn(2) atom. In the tenth O site, O(10) is bonded in a 5-coordinate geometry to one Na(1), two equivalent La(1), one Ti(3), and one Ti(4) atom. In the eleventh O site, O(11) is bonded in a 2-coordinate geometry to one Na(1), two equivalent La(3), one Ti(1), and one Mn(2) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one La(2), one La(3), one La(4), one Mn(1), and one Mn(2) atom. In the thirteenth O site, O(13) is bonded in a 4-coordinate geometry to one La(2), one La(4), one Ti(2), and one Mn(1) atom. In the fourteenth O site, O(14) is bonded in a 4-coordinate geometry to one Na(2), one La(1), one Ti(2), and one Ti(3) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one Na(2), one Ti(2), and one Mn(1) atom. In the sixteenth O site, O(16) is bonded in a 4-coordinate geometry to one Na(1), two equivalent La(3), one Ti(1), and one Mn(2) atom. In the seventeenth O site, O(17) is bonded in a 4-coordinate geometry to one La(2), one La(3), one La(4), one Mn(1), and one Mn(2) atom. In the eighteenth O site, O(18) is bonded in a 5-coordinate geometry to one La(4), two equivalent La(3), one Ti(1), and one Mn(2) atom. is represented by the CIF file [CIF]
data_NaLa2Ti2MnO9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.539
_cell_length_b   5.543
_cell_length_c   13.573
_cell_angle_alpha   89.558
_cell_angle_beta   89.583
_cell_angle_gamma   60.148
_symmetry_Int_Tables_number   1
_cell_volume   361.483
_cell_formula_units_Z   2
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  0.172  0.165  0.919  1.0
  Na  Na1  1  0.836  0.833  0.584  1.0
  La  La2  1  0.499  0.494  0.747  1.0
  La  La3  1  0.166  0.163  0.417  1.0
  La  La4  1  0.829  0.833  0.078  1.0
  La  La5  1  0.502  0.505  0.251  1.0
  Ti  Ti6  1  0.501  0.504  0.998  1.0
  Ti  Ti7  1  0.503  0.505  0.503  1.0
  Ti  Ti8  1  0.169  0.166  0.668  1.0
  Ti  Ti9  1  0.837  0.834  0.832  1.0
  Mn  Mn10  1  0.830  0.833  0.336  1.0
  Mn  Mn11  1  0.163  0.167  0.165  1.0
  O  O12  1  0.638  0.647  0.891  1.0
  O  O13  1  0.522  0.029  0.738  1.0
  O  O14  1  0.649  0.141  0.929  1.0
  O  O15  1  0.309  0.310  0.560  1.0
  O  O16  1  0.203  0.696  0.403  1.0
  O  O17  1  0.305  0.812  0.597  1.0
  O  O18  1  0.028  0.523  0.739  1.0
  O  O19  1  0.138  0.644  0.929  1.0
  O  O20  1  0.972  0.976  0.226  1.0
  O  O21  1  0.020  0.022  0.772  1.0
  O  O22  1  0.839  0.377  0.074  1.0
  O  O23  1  0.977  0.473  0.265  1.0
  O  O24  1  0.685  0.209  0.402  1.0
  O  O25  1  0.806  0.317  0.597  1.0
  O  O26  1  0.683  0.690  0.441  1.0
  O  O27  1  0.361  0.847  0.071  1.0
  O  O28  1  0.472  0.975  0.263  1.0
  O  O29  1  0.363  0.360  0.106  1.0
[/CIF]
.
The structure described by NaLa2Ti2MnO9 is Orthorhombic Perovskite-derived structured and crystallizes in the triclinic P1 space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 11-coordinate geometry to one O(10), one O(11), one O(16), one O(2), one O(7), two equivalent O(1), two equivalent O(3), and two equivalent O(8) atoms. In the second Na site, Na(2) is bonded in a 7-coordinate geometry to one O(14), one O(15), one O(2), one O(6), one O(7), and two equivalent O(4) atoms. There are four inequivalent La sites. In the first La site, La(1) is bonded in a 12-coordinate geometry to one O(1), one O(14), one O(3), one O(4), one O(6), one O(8), two equivalent O(10), two equivalent O(2), and two equivalent O(7) atoms. In the second La site, La(2) is bonded in a 5-coordinate geometry to one O(12), one O(13), one O(17), one O(4), and one O(5) atom. In the third La site, La(3) is bonded in a 12-coordinate geometry to one O(1), one O(12), one O(17), one O(3), one O(8), one O(9), two equivalent O(11), two equivalent O(16), and two equivalent O(18) atoms. In the fourth La site, La(4) is bonded in a 5-coordinate geometry to one O(12), one O(13), one O(17), one O(18), and one O(5) atom. There are four inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(11), one O(16), one O(18), one O(3), and one O(8) atom to form TiO6 octahedra that share corners with three equivalent Ti(4)O6 octahedra and corners with three equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-25°. In the second Ti site, Ti(2) is bonded to one O(13), one O(14), one O(15), one O(4), one O(5), and one O(6) atom to form TiO6 octahedra that share corners with three equivalent Ti(3)O6 octahedra and corners with three equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 16-25°. In the third Ti site, Ti(3) is bonded to one O(10), one O(14), one O(2), one O(4), one O(6), and one O(7) atom to form corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 16-25°. In the fourth Ti site, Ti(4) is bonded to one O(1), one O(10), one O(2), one O(3), one O(7), and one O(8) atom to form corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 16-24°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(12), one O(13), one O(15), one O(17), one O(5), and one O(9) atom to form MnO6 octahedra that share corners with three equivalent Ti(2)O6 octahedra and corners with three equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 17-23°. In the second Mn site, Mn(2) is bonded to one O(11), one O(12), one O(16), one O(17), one O(18), and one O(9) atom to form MnO6 octahedra that share corners with three equivalent Ti(1)O6 octahedra and corners with three equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-25°. There are eighteen inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Na(1), one La(1), one La(3), one Ti(1), and one Ti(4) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Na(1), one Na(2), two equivalent La(1), one Ti(3), and one Ti(4) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Na(1), one La(1), one La(3), one Ti(1), and one Ti(4) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to two equivalent Na(2), one La(1), one La(2), one Ti(2), and one Ti(3) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one La(2), one La(4), one Ti(2), and one Mn(1) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Na(2), one La(1), one Ti(2), and one Ti(3) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Na(1), one Na(2), two equivalent La(1), one Ti(3), and one Ti(4) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to two equivalent Na(1), one La(1), one La(3), one Ti(1), and one Ti(4) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one La(3), one Mn(1), and one Mn(2) atom. In the tenth O site, O(10) is bonded in a 5-coordinate geometry to one Na(1), two equivalent La(1), one Ti(3), and one Ti(4) atom. In the eleventh O site, O(11) is bonded in a 2-coordinate geometry to one Na(1), two equivalent La(3), one Ti(1), and one Mn(2) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one La(2), one La(3), one La(4), one Mn(1), and one Mn(2) atom. In the thirteenth O site, O(13) is bonded in a 4-coordinate geometry to one La(2), one La(4), one Ti(2), and one Mn(1) atom. In the fourteenth O site, O(14) is bonded in a 4-coordinate geometry to one Na(2), one La(1), one Ti(2), and one Ti(3) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one Na(2), one Ti(2), and one Mn(1) atom. In the sixteenth O site, O(16) is bonded in a 4-coordinate geometry to one Na(1), two equivalent La(3), one Ti(1), and one Mn(2) atom. In the seventeenth O site, O(17) is bonded in a 4-coordinate geometry to one La(2), one La(3), one La(4), one Mn(1), and one Mn(2) atom. In the eighteenth O site, O(18) is bonded in a 5-coordinate geometry to one La(4), two equivalent La(3), one Ti(1), and one Mn(2) atom. is represented by the CIF file [CIF]
data_NaLa2Ti2MnO9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.539
_cell_length_b   5.543
_cell_length_c   13.573
_cell_angle_alpha   89.558
_cell_angle_beta   89.583
_cell_angle_gamma   60.148
_symmetry_Int_Tables_number   1
_cell_volume   361.483
_cell_formula_units_Z   2
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  0.172  0.165  0.919  1.0
  Na  Na1  1  0.836  0.833  0.584  1.0
  La  La2  1  0.499  0.494  0.747  1.0
  La  La3  1  0.166  0.163  0.417  1.0
  La  La4  1  0.829  0.833  0.078  1.0
  La  La5  1  0.502  0.505  0.251  1.0
  Ti  Ti6  1  0.501  0.504  0.998  1.0
  Ti  Ti7  1  0.503  0.505  0.503  1.0
  Ti  Ti8  1  0.169  0.166  0.668  1.0
  Ti  Ti9  1  0.837  0.834  0.832  1.0
  Mn  Mn10  1  0.830  0.833  0.336  1.0
  Mn  Mn11  1  0.163  0.167  0.165  1.0
  O  O12  1  0.638  0.647  0.891  1.0
  O  O13  1  0.522  0.029  0.738  1.0
  O  O14  1  0.649  0.141  0.929  1.0
  O  O15  1  0.309  0.310  0.560  1.0
  O  O16  1  0.203  0.696  0.403  1.0
  O  O17  1  0.305  0.812  0.597  1.0
  O  O18  1  0.028  0.523  0.739  1.0
  O  O19  1  0.138  0.644  0.929  1.0
  O  O20  1  0.972  0.976  0.226  1.0
  O  O21  1  0.020  0.022  0.772  1.0
  O  O22  1  0.839  0.377  0.074  1.0
  O  O23  1  0.977  0.473  0.265  1.0
  O  O24  1  0.685  0.209  0.402  1.0
  O  O25  1  0.806  0.317  0.597  1.0
  O  O26  1  0.683  0.690  0.441  1.0
  O  O27  1  0.361  0.847  0.071  1.0
  O  O28  1  0.472  0.975  0.263  1.0
  O  O29  1  0.363  0.360  0.106  1.0
[/CIF]
.