The material structure described by La2Nb2N2O5 crystallizes in the monoclinic Cm space group. There are four inequivalent La sites. In the first La site, La(1) is bonded in a 7-coordinate geometry to two equivalent N(3), one O(2), one O(3), one O(5), and two equivalent O(7) atoms. In the second La site, La(2) is bonded in a 10-coordinate geometry to two equivalent N(4), one O(5), one O(6), two equivalent O(10), two equivalent O(4), and two equivalent O(9) atoms. In the third La site, La(3) is bonded in a 12-coordinate geometry to two equivalent N(1), two equivalent N(2), one O(4), one O(8), two equivalent O(1), two equivalent O(10), and two equivalent O(6) atoms. In the fourth La site, La(4) is bonded in a 7-coordinate geometry to one N(3), one O(7), one O(8), two equivalent O(2), and two equivalent O(3) atoms. There are four inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one N(1), one N(2), one O(1), one O(10), and two equivalent O(6) atoms to form distorted NbN2O4 octahedra that share corners with two equivalent Nb(1)N2O4 octahedra, corners with two equivalent Nb(2)N2O4 octahedra, and corners with two equivalent Nb(4)NO5 octahedra. The corner-sharing octahedral tilt angles range from 21-36°. In the second Nb site, Nb(2) is bonded to one N(1), one N(2), one O(2), one O(3), and two equivalent O(8) atoms to form corner-sharing NbN2O4 octahedra. The corner-sharing octahedral tilt angles range from 12-36°. In the third Nb site, Nb(3) is bonded to one N(3), one N(4), one O(7), one O(9), and two equivalent O(5) atoms to form distorted NbN2O4 octahedra that share corners with two equivalent Nb(3)N2O4 octahedra and corners with two equivalent Nb(4)NO5 octahedra. The corner-sharing octahedral tilt angles range from 10-37°. In the fourth Nb site, Nb(4) is bonded to one N(4), one O(1), one O(10), one O(9), and two equivalent O(4) atoms to form distorted NbNO5 octahedra that share corners with two equivalent Nb(1)N2O4 octahedra, corners with two equivalent Nb(3)N2O4 octahedra, and corners with two equivalent Nb(4)NO5 octahedra. The corner-sharing octahedral tilt angles range from 10-37°. There are four inequivalent N sites. In the first N site, N(1) is bonded to two equivalent La(3), one Nb(1), and one Nb(2) atom to form distorted NLa2Nb2 tetrahedra that share  a cornercorner with one O(2)La3Nb tetrahedra,  a cornercorner with one O(3)La3Nb tetrahedra, and corners with two equivalent N(1)La2Nb2 tetrahedra. In the second N site, N(2) is bonded in a distorted bent 150 degrees geometry to two equivalent La(3), one Nb(1), and one Nb(2) atom. In the third N site, N(3) is bonded to one La(4), two equivalent La(1), and one Nb(3) atom to form NLa3Nb tetrahedra that share  a cornercorner with one N(4)La2Nb2 tetrahedra, corners with two equivalent N(3)La3Nb tetrahedra, corners with four equivalent O(2)La3Nb tetrahedra, and edges with two equivalent O(3)La3Nb tetrahedra. In the fourth N site, N(4) is bonded to two equivalent La(2), one Nb(3), and one Nb(4) atom to form distorted NLa2Nb2 tetrahedra that share  a cornercorner with one N(3)La3Nb tetrahedra and corners with two equivalent N(4)La2Nb2 tetrahedra. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a distorted see-saw-like geometry to two equivalent La(3), one Nb(1), and one Nb(4) atom. In the second O site, O(2) is bonded to one La(1), two equivalent La(4), and one Nb(2) atom to form OLa3Nb tetrahedra that share  a cornercorner with one N(1)La2Nb2 tetrahedra, corners with two equivalent O(2)La3Nb tetrahedra, corners with two equivalent O(3)La3Nb tetrahedra, corners with four equivalent N(3)La3Nb tetrahedra, and edges with two equivalent O(3)La3Nb tetrahedra. In the third O site, O(3) is bonded to one La(1), two equivalent La(4), and one Nb(2) atom to form distorted OLa3Nb tetrahedra that share  a cornercorner with one N(1)La2Nb2 tetrahedra, corners with two equivalent O(2)La3Nb tetrahedra, corners with two equivalent O(3)La3Nb tetrahedra, edges with two equivalent N(3)La3Nb tetrahedra, and edges with two equivalent O(2)La3Nb tetrahedra. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one La(3), two equivalent La(2), and two equivalent Nb(4) atoms. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one La(1), one La(2), and two equivalent Nb(3) atoms. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one La(2), two equivalent La(3), and two equivalent Nb(1) atoms. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one La(4), two equivalent La(1), and one Nb(3) atom. In the eighth O site, O(8) is bonded in a distorted linear geometry to one La(3), one La(4), and two equivalent Nb(2) atoms. In the ninth O site, O(9) is bonded in a 2-coordinate geometry to two equivalent La(2), one Nb(3), and one Nb(4) atom. In the tenth O site, O(10) is bonded in a distorted see-saw-like geometry to two equivalent La(2), two equivalent La(3), one Nb(1), and one Nb(4) atom. is represented by the CIF card [CIF]
data_La2Nb2N2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.742
_cell_length_b   13.742
_cell_length_c   5.773
_cell_angle_alpha   89.145
_cell_angle_beta   89.145
_cell_angle_gamma   16.769
_symmetry_Int_Tables_number   1
_cell_volume   314.537
_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
  La  La0  1  0.715  0.715  0.458  1.0
  La  La1  1  0.554  0.554  0.064  1.0
  La  La2  1  0.450  0.450  0.527  1.0
  La  La3  1  0.290  0.290  0.962  1.0
  Nb  Nb4  1  0.939  0.939  0.021  1.0
  Nb  Nb5  1  0.844  0.844  0.506  1.0
  Nb  Nb6  1  0.163  0.163  0.011  1.0
  Nb  Nb7  1  0.060  0.060  0.554  1.0
  N  N8  1  0.907  0.907  0.337  1.0
  N  N9  1  0.885  0.885  0.823  1.0
  N  N10  1  0.218  0.218  0.216  1.0
  N  N11  1  0.090  0.090  0.844  1.0
  O  O12  1  0.987  0.987  0.722  1.0
  O  O13  1  0.781  0.781  0.729  1.0
  O  O14  1  0.797  0.797  0.247  1.0
  O  O15  1  0.544  0.544  0.537  1.0
  O  O16  1  0.650  0.650  0.046  1.0
  O  O17  1  0.456  0.456  0.035  1.0
  O  O18  1  0.203  0.203  0.735  1.0
  O  O19  1  0.344  0.344  0.542  1.0
  O  O20  1  0.112  0.112  0.329  1.0
  O  O21  1  0.012  0.012  0.235  1.0
[/CIF]
.
The material structure described by La2Nb2N2O5 crystallizes in the monoclinic Cm space group. There are four inequivalent La sites. In the first La site, La(1) is bonded in a 7-coordinate geometry to two equivalent N(3), one O(2), one O(3), one O(5), and two equivalent O(7) atoms. In the second La site, La(2) is bonded in a 10-coordinate geometry to two equivalent N(4), one O(5), one O(6), two equivalent O(10), two equivalent O(4), and two equivalent O(9) atoms. In the third La site, La(3) is bonded in a 12-coordinate geometry to two equivalent N(1), two equivalent N(2), one O(4), one O(8), two equivalent O(1), two equivalent O(10), and two equivalent O(6) atoms. In the fourth La site, La(4) is bonded in a 7-coordinate geometry to one N(3), one O(7), one O(8), two equivalent O(2), and two equivalent O(3) atoms. There are four inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one N(1), one N(2), one O(1), one O(10), and two equivalent O(6) atoms to form distorted NbN2O4 octahedra that share corners with two equivalent Nb(1)N2O4 octahedra, corners with two equivalent Nb(2)N2O4 octahedra, and corners with two equivalent Nb(4)NO5 octahedra. The corner-sharing octahedral tilt angles range from 21-36°. In the second Nb site, Nb(2) is bonded to one N(1), one N(2), one O(2), one O(3), and two equivalent O(8) atoms to form corner-sharing NbN2O4 octahedra. The corner-sharing octahedral tilt angles range from 12-36°. In the third Nb site, Nb(3) is bonded to one N(3), one N(4), one O(7), one O(9), and two equivalent O(5) atoms to form distorted NbN2O4 octahedra that share corners with two equivalent Nb(3)N2O4 octahedra and corners with two equivalent Nb(4)NO5 octahedra. The corner-sharing octahedral tilt angles range from 10-37°. In the fourth Nb site, Nb(4) is bonded to one N(4), one O(1), one O(10), one O(9), and two equivalent O(4) atoms to form distorted NbNO5 octahedra that share corners with two equivalent Nb(1)N2O4 octahedra, corners with two equivalent Nb(3)N2O4 octahedra, and corners with two equivalent Nb(4)NO5 octahedra. The corner-sharing octahedral tilt angles range from 10-37°. There are four inequivalent N sites. In the first N site, N(1) is bonded to two equivalent La(3), one Nb(1), and one Nb(2) atom to form distorted NLa2Nb2 tetrahedra that share  a cornercorner with one O(2)La3Nb tetrahedra,  a cornercorner with one O(3)La3Nb tetrahedra, and corners with two equivalent N(1)La2Nb2 tetrahedra. In the second N site, N(2) is bonded in a distorted bent 150 degrees geometry to two equivalent La(3), one Nb(1), and one Nb(2) atom. In the third N site, N(3) is bonded to one La(4), two equivalent La(1), and one Nb(3) atom to form NLa3Nb tetrahedra that share  a cornercorner with one N(4)La2Nb2 tetrahedra, corners with two equivalent N(3)La3Nb tetrahedra, corners with four equivalent O(2)La3Nb tetrahedra, and edges with two equivalent O(3)La3Nb tetrahedra. In the fourth N site, N(4) is bonded to two equivalent La(2), one Nb(3), and one Nb(4) atom to form distorted NLa2Nb2 tetrahedra that share  a cornercorner with one N(3)La3Nb tetrahedra and corners with two equivalent N(4)La2Nb2 tetrahedra. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a distorted see-saw-like geometry to two equivalent La(3), one Nb(1), and one Nb(4) atom. In the second O site, O(2) is bonded to one La(1), two equivalent La(4), and one Nb(2) atom to form OLa3Nb tetrahedra that share  a cornercorner with one N(1)La2Nb2 tetrahedra, corners with two equivalent O(2)La3Nb tetrahedra, corners with two equivalent O(3)La3Nb tetrahedra, corners with four equivalent N(3)La3Nb tetrahedra, and edges with two equivalent O(3)La3Nb tetrahedra. In the third O site, O(3) is bonded to one La(1), two equivalent La(4), and one Nb(2) atom to form distorted OLa3Nb tetrahedra that share  a cornercorner with one N(1)La2Nb2 tetrahedra, corners with two equivalent O(2)La3Nb tetrahedra, corners with two equivalent O(3)La3Nb tetrahedra, edges with two equivalent N(3)La3Nb tetrahedra, and edges with two equivalent O(2)La3Nb tetrahedra. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one La(3), two equivalent La(2), and two equivalent Nb(4) atoms. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one La(1), one La(2), and two equivalent Nb(3) atoms. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one La(2), two equivalent La(3), and two equivalent Nb(1) atoms. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one La(4), two equivalent La(1), and one Nb(3) atom. In the eighth O site, O(8) is bonded in a distorted linear geometry to one La(3), one La(4), and two equivalent Nb(2) atoms. In the ninth O site, O(9) is bonded in a 2-coordinate geometry to two equivalent La(2), one Nb(3), and one Nb(4) atom. In the tenth O site, O(10) is bonded in a distorted see-saw-like geometry to two equivalent La(2), two equivalent La(3), one Nb(1), and one Nb(4) atom. is represented by the CIF card [CIF]
data_La2Nb2N2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.742
_cell_length_b   13.742
_cell_length_c   5.773
_cell_angle_alpha   89.145
_cell_angle_beta   89.145
_cell_angle_gamma   16.769
_symmetry_Int_Tables_number   1
_cell_volume   314.537
_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
  La  La0  1  0.715  0.715  0.458  1.0
  La  La1  1  0.554  0.554  0.064  1.0
  La  La2  1  0.450  0.450  0.527  1.0
  La  La3  1  0.290  0.290  0.962  1.0
  Nb  Nb4  1  0.939  0.939  0.021  1.0
  Nb  Nb5  1  0.844  0.844  0.506  1.0
  Nb  Nb6  1  0.163  0.163  0.011  1.0
  Nb  Nb7  1  0.060  0.060  0.554  1.0
  N  N8  1  0.907  0.907  0.337  1.0
  N  N9  1  0.885  0.885  0.823  1.0
  N  N10  1  0.218  0.218  0.216  1.0
  N  N11  1  0.090  0.090  0.844  1.0
  O  O12  1  0.987  0.987  0.722  1.0
  O  O13  1  0.781  0.781  0.729  1.0
  O  O14  1  0.797  0.797  0.247  1.0
  O  O15  1  0.544  0.544  0.537  1.0
  O  O16  1  0.650  0.650  0.046  1.0
  O  O17  1  0.456  0.456  0.035  1.0
  O  O18  1  0.203  0.203  0.735  1.0
  O  O19  1  0.344  0.344  0.542  1.0
  O  O20  1  0.112  0.112  0.329  1.0
  O  O21  1  0.012  0.012  0.235  1.0
[/CIF]
.