The material structure described by Ta2CrNO5 is Hydrophilite-derived structured and crystallizes in the triclinic P1 space group. There are four inequivalent Ta sites. In the first Ta site, Ta(1) is bonded to one N(2), one O(1), one O(3), one O(4), one O(8), and one O(9) atom to form TaNO5 octahedra that share corners with four equivalent Ta(3)O6 octahedra, corners with four equivalent Cr(1)N2O4 octahedra,  an edgeedge with one Ta(2)N2O4 octahedra, and  an edgeedge with one Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-54°. In the second Ta site, Ta(2) is bonded to one N(1), one N(2), one O(1), one O(10), one O(2), and one O(5) atom to form TaN2O4 octahedra that share corners with four equivalent Ta(4)NO5 octahedra, corners with four equivalent Cr(1)N2O4 octahedra,  an edgeedge with one Ta(1)NO5 octahedra, and  an edgeedge with one Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-56°. In the third Ta site, Ta(3) is bonded to one O(3), one O(4), one O(6), one O(7), one O(8), and one O(9) atom to form TaO6 octahedra that share corners with four equivalent Ta(1)NO5 octahedra, corners with four equivalent Cr(2)O6 octahedra,  an edgeedge with one Ta(4)NO5 octahedra, and  an edgeedge with one Cr(1)N2O4 octahedra. The corner-sharing octahedral tilt angles range from 45-51°. In the fourth Ta site, Ta(4) is bonded to one N(1), one O(10), one O(2), one O(5), one O(6), and one O(7) atom to form TaNO5 octahedra that share corners with four equivalent Ta(2)N2O4 octahedra, corners with four equivalent Cr(2)O6 octahedra,  an edgeedge with one Ta(3)O6 octahedra, and  an edgeedge with one Cr(1)N2O4 octahedra. The corner-sharing octahedral tilt angles range from 44-56°. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one N(1), one N(2), one O(1), one O(4), one O(5), and one O(8) atom to form CrN2O4 octahedra that share corners with four equivalent Ta(2)N2O4 octahedra, corners with four equivalent Ta(1)NO5 octahedra,  an edgeedge with one Ta(4)NO5 octahedra, and  an edgeedge with one Ta(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-54°. In the second Cr site, Cr(2) is bonded to one O(10), one O(2), one O(3), one O(6), one O(7), and one O(9) atom to form CrO6 octahedra that share corners with four equivalent Ta(4)NO5 octahedra, corners with four equivalent Ta(3)O6 octahedra,  an edgeedge with one Ta(2)N2O4 octahedra, and  an edgeedge with one Ta(1)NO5 octahedra. The corner-sharing octahedral tilt angles range from 46-53°. There are two inequivalent N sites. In the first N site, N(1) is bonded in a distorted trigonal planar geometry to one Ta(2), one Ta(4), and one Cr(1) atom. In the second N site, N(2) is bonded in a trigonal planar geometry to one Ta(1), one Ta(2), and one Cr(1) atom. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Ta(1), one Ta(2), and one Cr(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Ta(2), one Ta(4), and one Cr(2) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Ta(1), one Ta(3), and one Cr(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Ta(1), one Ta(3), and one Cr(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Ta(2), one Ta(4), and one Cr(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Ta(3), one Ta(4), and one Cr(2) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Ta(3), one Ta(4), and one Cr(2) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Ta(1), one Ta(3), and one Cr(1) atom. In the ninth O site, O(9) is bonded in a trigonal planar geometry to one Ta(1), one Ta(3), and one Cr(2) atom. In the tenth O site, O(10) is bonded in a trigonal planar geometry to one Ta(2), one Ta(4), and one Cr(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ta2CrNO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.762
_cell_length_b   9.249
_cell_length_c   4.763
_cell_angle_alpha   90.168
_cell_angle_beta   89.704
_cell_angle_gamma   90.081
_symmetry_Int_Tables_number   1
_cell_volume   209.766
_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
  Ta  Ta0  1  0.009  0.340  0.989  1.0
  Ta  Ta1  1  0.000  0.665  0.976  1.0
  Ta  Ta2  1  0.501  0.164  0.492  1.0
  Ta  Ta3  1  0.513  0.822  0.502  1.0
  Cr  Cr4  1  0.499  0.500  0.502  1.0
  Cr  Cr5  1  0.998  0.002  0.004  1.0
  N  N6  1  0.696  0.669  0.700  1.0
  N  N7  1  0.197  0.499  0.806  1.0
  O  O8  1  0.809  0.499  0.197  1.0
  O  O9  1  0.804  0.836  0.202  1.0
  O  O10  1  0.798  0.167  0.201  1.0
  O  O11  1  0.300  0.326  0.305  1.0
  O  O12  1  0.301  0.672  0.307  1.0
  O  O13  1  0.299  0.006  0.307  1.0
  O  O14  1  0.690  0.002  0.696  1.0
  O  O15  1  0.695  0.328  0.699  1.0
  O  O16  1  0.194  0.168  0.806  1.0
  O  O17  1  0.197  0.835  0.808  1.0
[/CIF]
.
The material structure described by Ta2CrNO5 is Hydrophilite-derived structured and crystallizes in the triclinic P1 space group. There are four inequivalent Ta sites. In the first Ta site, Ta(1) is bonded to one N(2), one O(1), one O(3), one O(4), one O(8), and one O(9) atom to form TaNO5 octahedra that share corners with four equivalent Ta(3)O6 octahedra, corners with four equivalent Cr(1)N2O4 octahedra,  an edgeedge with one Ta(2)N2O4 octahedra, and  an edgeedge with one Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-54°. In the second Ta site, Ta(2) is bonded to one N(1), one N(2), one O(1), one O(10), one O(2), and one O(5) atom to form TaN2O4 octahedra that share corners with four equivalent Ta(4)NO5 octahedra, corners with four equivalent Cr(1)N2O4 octahedra,  an edgeedge with one Ta(1)NO5 octahedra, and  an edgeedge with one Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-56°. In the third Ta site, Ta(3) is bonded to one O(3), one O(4), one O(6), one O(7), one O(8), and one O(9) atom to form TaO6 octahedra that share corners with four equivalent Ta(1)NO5 octahedra, corners with four equivalent Cr(2)O6 octahedra,  an edgeedge with one Ta(4)NO5 octahedra, and  an edgeedge with one Cr(1)N2O4 octahedra. The corner-sharing octahedral tilt angles range from 45-51°. In the fourth Ta site, Ta(4) is bonded to one N(1), one O(10), one O(2), one O(5), one O(6), and one O(7) atom to form TaNO5 octahedra that share corners with four equivalent Ta(2)N2O4 octahedra, corners with four equivalent Cr(2)O6 octahedra,  an edgeedge with one Ta(3)O6 octahedra, and  an edgeedge with one Cr(1)N2O4 octahedra. The corner-sharing octahedral tilt angles range from 44-56°. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one N(1), one N(2), one O(1), one O(4), one O(5), and one O(8) atom to form CrN2O4 octahedra that share corners with four equivalent Ta(2)N2O4 octahedra, corners with four equivalent Ta(1)NO5 octahedra,  an edgeedge with one Ta(4)NO5 octahedra, and  an edgeedge with one Ta(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-54°. In the second Cr site, Cr(2) is bonded to one O(10), one O(2), one O(3), one O(6), one O(7), and one O(9) atom to form CrO6 octahedra that share corners with four equivalent Ta(4)NO5 octahedra, corners with four equivalent Ta(3)O6 octahedra,  an edgeedge with one Ta(2)N2O4 octahedra, and  an edgeedge with one Ta(1)NO5 octahedra. The corner-sharing octahedral tilt angles range from 46-53°. There are two inequivalent N sites. In the first N site, N(1) is bonded in a distorted trigonal planar geometry to one Ta(2), one Ta(4), and one Cr(1) atom. In the second N site, N(2) is bonded in a trigonal planar geometry to one Ta(1), one Ta(2), and one Cr(1) atom. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Ta(1), one Ta(2), and one Cr(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Ta(2), one Ta(4), and one Cr(2) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Ta(1), one Ta(3), and one Cr(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Ta(1), one Ta(3), and one Cr(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Ta(2), one Ta(4), and one Cr(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Ta(3), one Ta(4), and one Cr(2) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Ta(3), one Ta(4), and one Cr(2) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Ta(1), one Ta(3), and one Cr(1) atom. In the ninth O site, O(9) is bonded in a trigonal planar geometry to one Ta(1), one Ta(3), and one Cr(2) atom. In the tenth O site, O(10) is bonded in a trigonal planar geometry to one Ta(2), one Ta(4), and one Cr(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ta2CrNO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.762
_cell_length_b   9.249
_cell_length_c   4.763
_cell_angle_alpha   90.168
_cell_angle_beta   89.704
_cell_angle_gamma   90.081
_symmetry_Int_Tables_number   1
_cell_volume   209.766
_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
  Ta  Ta0  1  0.009  0.340  0.989  1.0
  Ta  Ta1  1  0.000  0.665  0.976  1.0
  Ta  Ta2  1  0.501  0.164  0.492  1.0
  Ta  Ta3  1  0.513  0.822  0.502  1.0
  Cr  Cr4  1  0.499  0.500  0.502  1.0
  Cr  Cr5  1  0.998  0.002  0.004  1.0
  N  N6  1  0.696  0.669  0.700  1.0
  N  N7  1  0.197  0.499  0.806  1.0
  O  O8  1  0.809  0.499  0.197  1.0
  O  O9  1  0.804  0.836  0.202  1.0
  O  O10  1  0.798  0.167  0.201  1.0
  O  O11  1  0.300  0.326  0.305  1.0
  O  O12  1  0.301  0.672  0.307  1.0
  O  O13  1  0.299  0.006  0.307  1.0
  O  O14  1  0.690  0.002  0.696  1.0
  O  O15  1  0.695  0.328  0.699  1.0
  O  O16  1  0.194  0.168  0.806  1.0
  O  O17  1  0.197  0.835  0.808  1.0
[/CIF]
.