The structure described by La2Nb2N2O5 crystallizes in the orthorhombic Cmc2_1 space group. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 9-coordinate geometry to one N(2), two equivalent O(4), three equivalent O(3), and three equivalent O(5) atoms. In the second La site, La(2) is bonded in a 7-coordinate geometry to one N(2), three equivalent N(1), two equivalent O(1), and two equivalent O(2) atoms. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to two equivalent N(1), one O(2), one O(4), and two equivalent O(1) atoms to form corner-sharing NbN2O4 octahedra. The corner-sharing octahedral tilt angles range from 22-43°. In the second Nb site, Nb(2) is bonded to two equivalent N(2), one O(2), one O(3), one O(4), and one O(5) atom to form distorted corner-sharing NbN2O4 octahedra. The corner-sharing octahedral tilt angles range from 19-43°. There are two inequivalent N sites. In the first N site, N(1) is bonded in a 5-coordinate geometry to three equivalent La(2) and two equivalent Nb(1) atoms. In the second N site, N(2) is bonded in a distorted see-saw-like geometry to one La(1), one La(2), and two equivalent Nb(2) atoms. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent La(2) and two equivalent Nb(1) atoms. In the second O site, O(2) is bonded to two equivalent La(2), one Nb(1), and one Nb(2) atom to form OLa2Nb2 tetrahedra that share  a cornercorner with one O(3)La3Nb tetrahedra and corners with two equivalent O(2)La2Nb2 tetrahedra. In the third O site, O(3) is bonded to three equivalent La(1) and one Nb(2) atom to form distorted OLa3Nb tetrahedra that share  a cornercorner with one O(2)La2Nb2 tetrahedra and corners with six equivalent O(3)La3Nb tetrahedra. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to two equivalent La(1), one Nb(1), and one Nb(2) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to three equivalent La(1) and one Nb(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_La2Nb2N2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.514
_cell_length_b   13.514
_cell_length_c   5.699
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   162.784
_symmetry_Int_Tables_number   1
_cell_volume   308.049
_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  0.705  0.295  0.047  1.0
  La  La1  1  0.553  0.447  0.474  1.0
  La  La2  1  0.447  0.553  0.974  1.0
  La  La3  1  0.295  0.705  0.547  1.0
  Nb  Nb4  1  0.942  0.058  0.475  1.0
  Nb  Nb5  1  0.838  0.162  0.001  1.0
  Nb  Nb6  1  0.162  0.838  0.501  1.0
  Nb  Nb7  1  0.058  0.942  0.975  1.0
  N  N8  1  0.546  0.454  0.938  1.0
  N  N9  1  0.654  0.346  0.456  1.0
  N  N10  1  0.454  0.546  0.438  1.0
  N  N11  1  0.346  0.654  0.956  1.0
  O  O12  1  0.986  0.014  0.762  1.0
  O  O13  1  0.910  0.090  0.144  1.0
  O  O14  1  0.780  0.220  0.780  1.0
  O  O15  1  0.882  0.118  0.656  1.0
  O  O16  1  0.796  0.204  0.278  1.0
  O  O17  1  0.220  0.780  0.280  1.0
  O  O18  1  0.204  0.796  0.778  1.0
  O  O19  1  0.118  0.882  0.156  1.0
  O  O20  1  0.090  0.910  0.644  1.0
  O  O21  1  0.014  0.986  0.262  1.0
[/CIF]
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The structure described by La2Nb2N2O5 crystallizes in the orthorhombic Cmc2_1 space group. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 9-coordinate geometry to one N(2), two equivalent O(4), three equivalent O(3), and three equivalent O(5) atoms. In the second La site, La(2) is bonded in a 7-coordinate geometry to one N(2), three equivalent N(1), two equivalent O(1), and two equivalent O(2) atoms. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to two equivalent N(1), one O(2), one O(4), and two equivalent O(1) atoms to form corner-sharing NbN2O4 octahedra. The corner-sharing octahedral tilt angles range from 22-43°. In the second Nb site, Nb(2) is bonded to two equivalent N(2), one O(2), one O(3), one O(4), and one O(5) atom to form distorted corner-sharing NbN2O4 octahedra. The corner-sharing octahedral tilt angles range from 19-43°. There are two inequivalent N sites. In the first N site, N(1) is bonded in a 5-coordinate geometry to three equivalent La(2) and two equivalent Nb(1) atoms. In the second N site, N(2) is bonded in a distorted see-saw-like geometry to one La(1), one La(2), and two equivalent Nb(2) atoms. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent La(2) and two equivalent Nb(1) atoms. In the second O site, O(2) is bonded to two equivalent La(2), one Nb(1), and one Nb(2) atom to form OLa2Nb2 tetrahedra that share  a cornercorner with one O(3)La3Nb tetrahedra and corners with two equivalent O(2)La2Nb2 tetrahedra. In the third O site, O(3) is bonded to three equivalent La(1) and one Nb(2) atom to form distorted OLa3Nb tetrahedra that share  a cornercorner with one O(2)La2Nb2 tetrahedra and corners with six equivalent O(3)La3Nb tetrahedra. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to two equivalent La(1), one Nb(1), and one Nb(2) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to three equivalent La(1) and one Nb(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_La2Nb2N2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.514
_cell_length_b   13.514
_cell_length_c   5.699
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   162.784
_symmetry_Int_Tables_number   1
_cell_volume   308.049
_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  0.705  0.295  0.047  1.0
  La  La1  1  0.553  0.447  0.474  1.0
  La  La2  1  0.447  0.553  0.974  1.0
  La  La3  1  0.295  0.705  0.547  1.0
  Nb  Nb4  1  0.942  0.058  0.475  1.0
  Nb  Nb5  1  0.838  0.162  0.001  1.0
  Nb  Nb6  1  0.162  0.838  0.501  1.0
  Nb  Nb7  1  0.058  0.942  0.975  1.0
  N  N8  1  0.546  0.454  0.938  1.0
  N  N9  1  0.654  0.346  0.456  1.0
  N  N10  1  0.454  0.546  0.438  1.0
  N  N11  1  0.346  0.654  0.956  1.0
  O  O12  1  0.986  0.014  0.762  1.0
  O  O13  1  0.910  0.090  0.144  1.0
  O  O14  1  0.780  0.220  0.780  1.0
  O  O15  1  0.882  0.118  0.656  1.0
  O  O16  1  0.796  0.204  0.278  1.0
  O  O17  1  0.220  0.780  0.280  1.0
  O  O18  1  0.204  0.796  0.778  1.0
  O  O19  1  0.118  0.882  0.156  1.0
  O  O20  1  0.090  0.910  0.644  1.0
  O  O21  1  0.014  0.986  0.262  1.0
[/CIF]
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