The material structure described by Ta2CrNO5 is Hydrophilite-derived structured and crystallizes in the orthorhombic Pmn2_1 space group. Ta(1) is bonded to one N(1), one O(1), two equivalent O(2), and two equivalent O(3) atoms to form TaNO5 octahedra that share corners with four equivalent Ta(1)NO5 octahedra, corners with four equivalent Cr(1)NO5 octahedra,  an edgeedge with one Ta(1)NO5 octahedra, and  an edgeedge with one Cr(1)NO5 octahedra. The corner-sharing octahedral tilt angles range from 46-52°. Cr(1) is bonded to one N(1), one O(1), two equivalent O(2), and two equivalent O(3) atoms to form CrNO5 octahedra that share corners with eight equivalent Ta(1)NO5 octahedra and edges with two equivalent Ta(1)NO5 octahedra. The corner-sharing octahedral tilt angles range from 47-52°. N(1) is bonded in a trigonal planar geometry to two equivalent Ta(1) and one Cr(1) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Ta(1) and one Cr(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Ta(1) and one Cr(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to two equivalent Ta(1) and one Cr(1) atom. is represented by the CIF card [CIF]
data_Ta2CrNO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.751
_cell_length_b   4.755
_cell_length_c   9.260
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   89.999
_symmetry_Int_Tables_number   1
_cell_volume   209.170
_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
  Cr  Cr0  1  0.001  0.995  0.000  1.0
  Cr  Cr1  1  0.499  0.495  0.500  1.0
  N  N2  1  0.698  0.692  1.000  1.0
  N  N3  1  0.802  0.192  0.500  1.0
  O  O4  1  0.193  0.802  0.500  1.0
  O  O5  1  0.307  0.302  -0.000  1.0
  O  O6  1  0.198  0.798  0.831  1.0
  O  O7  1  0.198  0.798  0.169  1.0
  O  O8  1  0.302  0.298  0.331  1.0
  O  O9  1  0.302  0.298  0.669  1.0
  O  O10  1  0.696  0.692  0.330  1.0
  O  O11  1  0.696  0.692  0.670  1.0
  O  O12  1  0.804  0.192  0.170  1.0
  O  O13  1  0.804  0.192  0.830  1.0
  Ta  Ta14  1  0.994  0.015  0.338  1.0
  Ta  Ta15  1  0.994  0.015  0.662  1.0
  Ta  Ta16  1  0.506  0.515  0.162  1.0
  Ta  Ta17  1  0.506  0.515  0.838  1.0
[/CIF]
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The material structure described by Ta2CrNO5 is Hydrophilite-derived structured and crystallizes in the orthorhombic Pmn2_1 space group. Ta(1) is bonded to one N(1), one O(1), two equivalent O(2), and two equivalent O(3) atoms to form TaNO5 octahedra that share corners with four equivalent Ta(1)NO5 octahedra, corners with four equivalent Cr(1)NO5 octahedra,  an edgeedge with one Ta(1)NO5 octahedra, and  an edgeedge with one Cr(1)NO5 octahedra. The corner-sharing octahedral tilt angles range from 46-52°. Cr(1) is bonded to one N(1), one O(1), two equivalent O(2), and two equivalent O(3) atoms to form CrNO5 octahedra that share corners with eight equivalent Ta(1)NO5 octahedra and edges with two equivalent Ta(1)NO5 octahedra. The corner-sharing octahedral tilt angles range from 47-52°. N(1) is bonded in a trigonal planar geometry to two equivalent Ta(1) and one Cr(1) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Ta(1) and one Cr(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Ta(1) and one Cr(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to two equivalent Ta(1) and one Cr(1) atom. is represented by the CIF card [CIF]
data_Ta2CrNO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.751
_cell_length_b   4.755
_cell_length_c   9.260
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   89.999
_symmetry_Int_Tables_number   1
_cell_volume   209.170
_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
  Cr  Cr0  1  0.001  0.995  0.000  1.0
  Cr  Cr1  1  0.499  0.495  0.500  1.0
  N  N2  1  0.698  0.692  1.000  1.0
  N  N3  1  0.802  0.192  0.500  1.0
  O  O4  1  0.193  0.802  0.500  1.0
  O  O5  1  0.307  0.302  -0.000  1.0
  O  O6  1  0.198  0.798  0.831  1.0
  O  O7  1  0.198  0.798  0.169  1.0
  O  O8  1  0.302  0.298  0.331  1.0
  O  O9  1  0.302  0.298  0.669  1.0
  O  O10  1  0.696  0.692  0.330  1.0
  O  O11  1  0.696  0.692  0.670  1.0
  O  O12  1  0.804  0.192  0.170  1.0
  O  O13  1  0.804  0.192  0.830  1.0
  Ta  Ta14  1  0.994  0.015  0.338  1.0
  Ta  Ta15  1  0.994  0.015  0.662  1.0
  Ta  Ta16  1  0.506  0.515  0.162  1.0
  Ta  Ta17  1  0.506  0.515  0.838  1.0
[/CIF]
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