The compound described by LaTa2NO5 crystallizes in the triclinic P1 space group. There are four inequivalent La sites. In the first La site, La(1) is bonded in a 8-coordinate geometry to one N(1), one O(1), one O(18), one O(19), one O(2), one O(20), one O(4), and one O(5) atom. In the second La site, La(2) is bonded in a 8-coordinate geometry to one N(2), one O(10), one O(11), one O(12), one O(13), one O(6), one O(7), and one O(9) atom. In the third La site, La(3) is bonded in a 8-coordinate geometry to one N(3), one O(10), one O(11), one O(12), one O(14), one O(15), one O(8), and one O(9) atom. In the fourth La site, La(4) is bonded in a 8-coordinate geometry to one N(4), one O(1), one O(16), one O(17), one O(19), one O(2), one O(20), and one O(3) atom. There are eight inequivalent Ta sites. In the first Ta site, Ta(1) is bonded to one N(1), one O(1), one O(20), one O(3), one O(5), and one O(6) atom to form TaNO5 octahedra that share corners with two equivalent Ta(2)NO5 octahedra, corners with two equivalent Ta(3)NO5 octahedra, and  an edgeedge with one Ta(8)N2O4 octahedra. The corner-sharing octahedral tilt angles range from 28-46°. In the second Ta site, Ta(2) is bonded to one N(1), one O(19), one O(2), one O(3), one O(4), and one O(7) atom to form a mixture of edge and corner-sharing TaNO5 octahedra. The corner-sharing octahedral tilt angles range from 28-46°. In the third Ta site, Ta(3) is bonded to one N(2), one O(10), one O(11), one O(5), one O(6), and one O(8) atom to form a mixture of edge and corner-sharing TaNO5 octahedra. The corner-sharing octahedral tilt angles range from 29-46°. In the fourth Ta site, Ta(4) is bonded to one N(2), one O(12), one O(4), one O(7), one O(8), and one O(9) atom to form TaNO5 octahedra that share corners with two equivalent Ta(2)NO5 octahedra, corners with two equivalent Ta(3)NO5 octahedra, and  an edgeedge with one Ta(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 29-46°. In the fifth Ta site, Ta(5) is bonded to one N(3), one O(10), one O(11), one O(13), one O(14), and one O(16) atom to form TaNO5 octahedra that share corners with two equivalent Ta(8)N2O4 octahedra, corners with two equivalent Ta(6)O6 octahedra, and  an edgeedge with one Ta(3)NO5 octahedra. The corner-sharing octahedral tilt angles range from 31-47°. In the sixth Ta site, Ta(6) is bonded to one O(12), one O(13), one O(14), one O(15), one O(17), and one O(9) atom to form a mixture of edge and corner-sharing TaO6 octahedra. The corner-sharing octahedral tilt angles range from 31-47°. In the seventh Ta site, Ta(7) is bonded to one N(4), one O(15), one O(17), one O(18), one O(19), and one O(2) atom to form TaNO5 octahedra that share corners with two equivalent Ta(8)N2O4 octahedra, corners with two equivalent Ta(6)O6 octahedra, and  an edgeedge with one Ta(2)NO5 octahedra. The corner-sharing octahedral tilt angles range from 26-47°. In the eighth Ta site, Ta(8) is bonded to one N(3), one N(4), one O(1), one O(16), one O(18), and one O(20) atom to form a mixture of distorted edge and corner-sharing TaN2O4 octahedra. The corner-sharing octahedral tilt angles range from 26-47°. There are four inequivalent N sites. In the first N site, N(1) is bonded in a 3-coordinate geometry to one La(1), one Ta(1), and one Ta(2) atom. In the second N site, N(2) is bonded in a 3-coordinate geometry to one La(2), one Ta(3), and one Ta(4) atom. In the third N site, N(3) is bonded in a distorted trigonal planar geometry to one La(3), one Ta(5), and one Ta(8) atom. In the fourth N site, N(4) is bonded in a 3-coordinate geometry to one La(4), one Ta(7), and one Ta(8) atom. There are twenty inequivalent O sites. In the first O site, O(1) is bonded to one La(1), one La(4), one Ta(1), and one Ta(8) atom to form a mixture of distorted edge and corner-sharing OLa2Ta2 trigonal pyramids. In the second O site, O(2) is bonded to one La(1), one La(4), one Ta(2), and one Ta(7) atom to form a mixture of distorted edge and corner-sharing OLa2Ta2 tetrahedra. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one La(4), one Ta(1), and one Ta(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one La(1), one Ta(2), and one Ta(4) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one La(1), one Ta(1), and one Ta(3) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one La(2), one Ta(1), and one Ta(3) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one La(2), one Ta(2), and one Ta(4) atom. In the eighth O site, O(8) is bonded in a distorted trigonal non-coplanar geometry to one La(3), one Ta(3), and one Ta(4) atom. In the ninth O site, O(9) is bonded to one La(2), one La(3), one Ta(4), and one Ta(6) atom to form a mixture of distorted edge and corner-sharing OLa2Ta2 tetrahedra. In the tenth O site, O(10) is bonded to one La(2), one La(3), one Ta(3), and one Ta(5) atom to form a mixture of distorted edge and corner-sharing OLa2Ta2 tetrahedra. In the eleventh O site, O(11) is bonded to one La(2), one La(3), one Ta(3), and one Ta(5) atom to form a mixture of distorted edge and corner-sharing OLa2Ta2 tetrahedra. In the twelfth O site, O(12) is bonded to one La(2), one La(3), one Ta(4), and one Ta(6) atom to form a mixture of distorted edge and corner-sharing OLa2Ta2 tetrahedra. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one La(2), one Ta(5), and one Ta(6) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one La(3), one Ta(5), and one Ta(6) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one La(3), one Ta(6), and one Ta(7) atom. In the sixteenth O site, O(16) is bonded in a 3-coordinate geometry to one La(4), one Ta(5), and one Ta(8) atom. In the seventeenth O site, O(17) is bonded in a 3-coordinate geometry to one La(4), one Ta(6), and one Ta(7) atom. In the eighteenth O site, O(18) is bonded in a distorted trigonal non-coplanar geometry to one La(1), one Ta(7), and one Ta(8) atom. In the nineteenth O site, O(19) is bonded to one La(1), one La(4), one Ta(2), and one Ta(7) atom to form a mixture of distorted edge and corner-sharing OLa2Ta2 tetrahedra. In the twentieth O site, O(20) is bonded to one La(1), one La(4), one Ta(1), and one Ta(8) atom to form a mixture of distorted edge and corner-sharing OLa2Ta2 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_LaTa2NO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.529
_cell_length_b   7.741
_cell_length_c   11.306
_cell_angle_alpha   89.968
_cell_angle_beta   89.998
_cell_angle_gamma   89.984
_symmetry_Int_Tables_number   1
_cell_volume   483.921
_cell_formula_units_Z   4
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  0.553  0.752  0.961  1.0
  La  La1  1  0.045  0.248  0.543  1.0
  La  La2  1  0.952  0.754  0.462  1.0
  La  La3  1  0.448  0.248  0.037  1.0
  Ta  Ta4  1  0.037  0.998  0.858  1.0
  Ta  Ta5  1  0.039  0.504  0.857  1.0
  Ta  Ta6  1  0.542  0.003  0.643  1.0
  Ta  Ta7  1  0.539  0.496  0.643  1.0
  Ta  Ta8  1  0.447  0.001  0.354  1.0
  Ta  Ta9  1  0.457  0.496  0.357  1.0
  Ta  Ta10  1  0.965  0.493  0.142  1.0
  Ta  Ta11  1  0.965  0.996  0.149  1.0
  N  N12  1  0.954  0.750  0.854  1.0
  N  N13  1  0.452  0.251  0.643  1.0
  N  N14  1  0.130  0.941  0.293  1.0
  N  N15  1  0.044  0.252  0.145  1.0
  O  O16  1  0.766  0.037  0.972  1.0
  O  O17  1  0.772  0.465  0.977  1.0
  O  O18  1  0.153  0.251  0.878  1.0
  O  O19  1  0.372  0.556  0.789  1.0
  O  O20  1  0.372  0.945  0.789  1.0
  O  O21  1  0.873  0.057  0.710  1.0
  O  O22  1  0.872  0.444  0.710  1.0
  O  O23  1  0.650  0.750  0.621  1.0
  O  O24  1  0.272  0.537  0.522  1.0
  O  O25  1  0.272  0.963  0.524  1.0
  O  O26  1  0.729  0.033  0.479  1.0
  O  O27  1  0.729  0.467  0.475  1.0
  O  O28  1  0.358  0.252  0.378  1.0
  O  O29  1  0.550  0.749  0.357  1.0
  O  O30  1  0.135  0.559  0.289  1.0
  O  O31  1  0.626  0.054  0.211  1.0
  O  O32  1  0.628  0.449  0.213  1.0
  O  O33  1  0.844  0.751  0.121  1.0
  O  O34  1  0.230  0.536  0.023  1.0
  O  O35  1  0.227  0.965  0.023  1.0
[/CIF]
.
The compound described by LaTa2NO5 crystallizes in the triclinic P1 space group. There are four inequivalent La sites. In the first La site, La(1) is bonded in a 8-coordinate geometry to one N(1), one O(1), one O(18), one O(19), one O(2), one O(20), one O(4), and one O(5) atom. In the second La site, La(2) is bonded in a 8-coordinate geometry to one N(2), one O(10), one O(11), one O(12), one O(13), one O(6), one O(7), and one O(9) atom. In the third La site, La(3) is bonded in a 8-coordinate geometry to one N(3), one O(10), one O(11), one O(12), one O(14), one O(15), one O(8), and one O(9) atom. In the fourth La site, La(4) is bonded in a 8-coordinate geometry to one N(4), one O(1), one O(16), one O(17), one O(19), one O(2), one O(20), and one O(3) atom. There are eight inequivalent Ta sites. In the first Ta site, Ta(1) is bonded to one N(1), one O(1), one O(20), one O(3), one O(5), and one O(6) atom to form TaNO5 octahedra that share corners with two equivalent Ta(2)NO5 octahedra, corners with two equivalent Ta(3)NO5 octahedra, and  an edgeedge with one Ta(8)N2O4 octahedra. The corner-sharing octahedral tilt angles range from 28-46°. In the second Ta site, Ta(2) is bonded to one N(1), one O(19), one O(2), one O(3), one O(4), and one O(7) atom to form a mixture of edge and corner-sharing TaNO5 octahedra. The corner-sharing octahedral tilt angles range from 28-46°. In the third Ta site, Ta(3) is bonded to one N(2), one O(10), one O(11), one O(5), one O(6), and one O(8) atom to form a mixture of edge and corner-sharing TaNO5 octahedra. The corner-sharing octahedral tilt angles range from 29-46°. In the fourth Ta site, Ta(4) is bonded to one N(2), one O(12), one O(4), one O(7), one O(8), and one O(9) atom to form TaNO5 octahedra that share corners with two equivalent Ta(2)NO5 octahedra, corners with two equivalent Ta(3)NO5 octahedra, and  an edgeedge with one Ta(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 29-46°. In the fifth Ta site, Ta(5) is bonded to one N(3), one O(10), one O(11), one O(13), one O(14), and one O(16) atom to form TaNO5 octahedra that share corners with two equivalent Ta(8)N2O4 octahedra, corners with two equivalent Ta(6)O6 octahedra, and  an edgeedge with one Ta(3)NO5 octahedra. The corner-sharing octahedral tilt angles range from 31-47°. In the sixth Ta site, Ta(6) is bonded to one O(12), one O(13), one O(14), one O(15), one O(17), and one O(9) atom to form a mixture of edge and corner-sharing TaO6 octahedra. The corner-sharing octahedral tilt angles range from 31-47°. In the seventh Ta site, Ta(7) is bonded to one N(4), one O(15), one O(17), one O(18), one O(19), and one O(2) atom to form TaNO5 octahedra that share corners with two equivalent Ta(8)N2O4 octahedra, corners with two equivalent Ta(6)O6 octahedra, and  an edgeedge with one Ta(2)NO5 octahedra. The corner-sharing octahedral tilt angles range from 26-47°. In the eighth Ta site, Ta(8) is bonded to one N(3), one N(4), one O(1), one O(16), one O(18), and one O(20) atom to form a mixture of distorted edge and corner-sharing TaN2O4 octahedra. The corner-sharing octahedral tilt angles range from 26-47°. There are four inequivalent N sites. In the first N site, N(1) is bonded in a 3-coordinate geometry to one La(1), one Ta(1), and one Ta(2) atom. In the second N site, N(2) is bonded in a 3-coordinate geometry to one La(2), one Ta(3), and one Ta(4) atom. In the third N site, N(3) is bonded in a distorted trigonal planar geometry to one La(3), one Ta(5), and one Ta(8) atom. In the fourth N site, N(4) is bonded in a 3-coordinate geometry to one La(4), one Ta(7), and one Ta(8) atom. There are twenty inequivalent O sites. In the first O site, O(1) is bonded to one La(1), one La(4), one Ta(1), and one Ta(8) atom to form a mixture of distorted edge and corner-sharing OLa2Ta2 trigonal pyramids. In the second O site, O(2) is bonded to one La(1), one La(4), one Ta(2), and one Ta(7) atom to form a mixture of distorted edge and corner-sharing OLa2Ta2 tetrahedra. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one La(4), one Ta(1), and one Ta(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one La(1), one Ta(2), and one Ta(4) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one La(1), one Ta(1), and one Ta(3) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one La(2), one Ta(1), and one Ta(3) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one La(2), one Ta(2), and one Ta(4) atom. In the eighth O site, O(8) is bonded in a distorted trigonal non-coplanar geometry to one La(3), one Ta(3), and one Ta(4) atom. In the ninth O site, O(9) is bonded to one La(2), one La(3), one Ta(4), and one Ta(6) atom to form a mixture of distorted edge and corner-sharing OLa2Ta2 tetrahedra. In the tenth O site, O(10) is bonded to one La(2), one La(3), one Ta(3), and one Ta(5) atom to form a mixture of distorted edge and corner-sharing OLa2Ta2 tetrahedra. In the eleventh O site, O(11) is bonded to one La(2), one La(3), one Ta(3), and one Ta(5) atom to form a mixture of distorted edge and corner-sharing OLa2Ta2 tetrahedra. In the twelfth O site, O(12) is bonded to one La(2), one La(3), one Ta(4), and one Ta(6) atom to form a mixture of distorted edge and corner-sharing OLa2Ta2 tetrahedra. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one La(2), one Ta(5), and one Ta(6) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one La(3), one Ta(5), and one Ta(6) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one La(3), one Ta(6), and one Ta(7) atom. In the sixteenth O site, O(16) is bonded in a 3-coordinate geometry to one La(4), one Ta(5), and one Ta(8) atom. In the seventeenth O site, O(17) is bonded in a 3-coordinate geometry to one La(4), one Ta(6), and one Ta(7) atom. In the eighteenth O site, O(18) is bonded in a distorted trigonal non-coplanar geometry to one La(1), one Ta(7), and one Ta(8) atom. In the nineteenth O site, O(19) is bonded to one La(1), one La(4), one Ta(2), and one Ta(7) atom to form a mixture of distorted edge and corner-sharing OLa2Ta2 tetrahedra. In the twentieth O site, O(20) is bonded to one La(1), one La(4), one Ta(1), and one Ta(8) atom to form a mixture of distorted edge and corner-sharing OLa2Ta2 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_LaTa2NO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.529
_cell_length_b   7.741
_cell_length_c   11.306
_cell_angle_alpha   89.968
_cell_angle_beta   89.998
_cell_angle_gamma   89.984
_symmetry_Int_Tables_number   1
_cell_volume   483.921
_cell_formula_units_Z   4
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  0.553  0.752  0.961  1.0
  La  La1  1  0.045  0.248  0.543  1.0
  La  La2  1  0.952  0.754  0.462  1.0
  La  La3  1  0.448  0.248  0.037  1.0
  Ta  Ta4  1  0.037  0.998  0.858  1.0
  Ta  Ta5  1  0.039  0.504  0.857  1.0
  Ta  Ta6  1  0.542  0.003  0.643  1.0
  Ta  Ta7  1  0.539  0.496  0.643  1.0
  Ta  Ta8  1  0.447  0.001  0.354  1.0
  Ta  Ta9  1  0.457  0.496  0.357  1.0
  Ta  Ta10  1  0.965  0.493  0.142  1.0
  Ta  Ta11  1  0.965  0.996  0.149  1.0
  N  N12  1  0.954  0.750  0.854  1.0
  N  N13  1  0.452  0.251  0.643  1.0
  N  N14  1  0.130  0.941  0.293  1.0
  N  N15  1  0.044  0.252  0.145  1.0
  O  O16  1  0.766  0.037  0.972  1.0
  O  O17  1  0.772  0.465  0.977  1.0
  O  O18  1  0.153  0.251  0.878  1.0
  O  O19  1  0.372  0.556  0.789  1.0
  O  O20  1  0.372  0.945  0.789  1.0
  O  O21  1  0.873  0.057  0.710  1.0
  O  O22  1  0.872  0.444  0.710  1.0
  O  O23  1  0.650  0.750  0.621  1.0
  O  O24  1  0.272  0.537  0.522  1.0
  O  O25  1  0.272  0.963  0.524  1.0
  O  O26  1  0.729  0.033  0.479  1.0
  O  O27  1  0.729  0.467  0.475  1.0
  O  O28  1  0.358  0.252  0.378  1.0
  O  O29  1  0.550  0.749  0.357  1.0
  O  O30  1  0.135  0.559  0.289  1.0
  O  O31  1  0.626  0.054  0.211  1.0
  O  O32  1  0.628  0.449  0.213  1.0
  O  O33  1  0.844  0.751  0.121  1.0
  O  O34  1  0.230  0.536  0.023  1.0
  O  O35  1  0.227  0.965  0.023  1.0
[/CIF]
.