The structure described by Ta2CrNO5 is Hydrophilite-derived structured and crystallizes in the orthorhombic Amm2 space group. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded to one N(1), one O(1), one O(2), one O(3), and two equivalent O(5) atoms to form TaNO5 octahedra that share corners with four equivalent Ta(2)NO5 octahedra, corners with four equivalent Cr(1)O6 octahedra,  an edgeedge with one Ta(1)NO5 octahedra, and  an edgeedge with one Cr(2)N2O4 octahedra. The corner-sharing octahedral tilt angles range from 46-51°. In the second Ta site, Ta(2) is bonded to one N(1), one O(3), two equivalent O(4), and two equivalent O(5) atoms to form TaNO5 octahedra that share corners with four equivalent Ta(1)NO5 octahedra, corners with four equivalent Cr(2)N2O4 octahedra,  an edgeedge with one Ta(2)NO5 octahedra, and  an edgeedge with one Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-51°. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(1), one O(2), and four equivalent O(5) atoms to form CrO6 octahedra that share corners with eight equivalent Ta(1)NO5 octahedra and edges with two equivalent Ta(2)NO5 octahedra. The corner-sharing octahedral tilt angles range from 48-51°. In the second Cr site, Cr(2) is bonded to two equivalent N(1), two equivalent O(3), and two equivalent O(4) atoms to form CrN2O4 octahedra that share corners with eight equivalent Ta(2)NO5 octahedra and edges with two equivalent Ta(1)NO5 octahedra. The corner-sharing octahedral tilt angles range from 49-51°. N(1) is bonded in a distorted trigonal planar geometry to one Ta(1), one Ta(2), and one Cr(2) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to two equivalent Ta(1) and one Cr(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to two equivalent Ta(1) and one Cr(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Ta(1), one Ta(2), and one Cr(2) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to two equivalent Ta(2) and one Cr(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Ta(1), one Ta(2), and one Cr(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ta2CrNO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.772
_cell_length_b   4.772
_cell_length_c   9.213
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   89.723
_symmetry_Int_Tables_number   1
_cell_volume   209.805
_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  0.497  0.497  0.500  1.0
  Cr  Cr1  1  0.000  0.000  0.000  1.0
  N  N2  1  0.802  0.802  0.831  1.0
  N  N3  1  0.802  0.802  0.169  1.0
  O  O4  1  0.195  0.195  0.500  1.0
  O  O5  1  0.807  0.807  0.500  1.0
  O  O6  1  0.197  0.197  0.172  1.0
  O  O7  1  0.197  0.196  0.828  1.0
  O  O8  1  0.303  0.687  0.000  1.0
  O  O9  1  0.687  0.303  1.000  1.0
  O  O10  1  0.301  0.693  0.667  1.0
  O  O11  1  0.301  0.693  0.333  1.0
  O  O12  1  0.693  0.301  0.667  1.0
  O  O13  1  0.693  0.301  0.333  1.0
  Ta  Ta14  1  0.997  0.997  0.674  1.0
  Ta  Ta15  1  0.997  0.997  0.326  1.0
  Ta  Ta16  1  0.516  0.516  0.831  1.0
  Ta  Ta17  1  0.516  0.516  0.169  1.0
[/CIF]
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The structure described by Ta2CrNO5 is Hydrophilite-derived structured and crystallizes in the orthorhombic Amm2 space group. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded to one N(1), one O(1), one O(2), one O(3), and two equivalent O(5) atoms to form TaNO5 octahedra that share corners with four equivalent Ta(2)NO5 octahedra, corners with four equivalent Cr(1)O6 octahedra,  an edgeedge with one Ta(1)NO5 octahedra, and  an edgeedge with one Cr(2)N2O4 octahedra. The corner-sharing octahedral tilt angles range from 46-51°. In the second Ta site, Ta(2) is bonded to one N(1), one O(3), two equivalent O(4), and two equivalent O(5) atoms to form TaNO5 octahedra that share corners with four equivalent Ta(1)NO5 octahedra, corners with four equivalent Cr(2)N2O4 octahedra,  an edgeedge with one Ta(2)NO5 octahedra, and  an edgeedge with one Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-51°. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(1), one O(2), and four equivalent O(5) atoms to form CrO6 octahedra that share corners with eight equivalent Ta(1)NO5 octahedra and edges with two equivalent Ta(2)NO5 octahedra. The corner-sharing octahedral tilt angles range from 48-51°. In the second Cr site, Cr(2) is bonded to two equivalent N(1), two equivalent O(3), and two equivalent O(4) atoms to form CrN2O4 octahedra that share corners with eight equivalent Ta(2)NO5 octahedra and edges with two equivalent Ta(1)NO5 octahedra. The corner-sharing octahedral tilt angles range from 49-51°. N(1) is bonded in a distorted trigonal planar geometry to one Ta(1), one Ta(2), and one Cr(2) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to two equivalent Ta(1) and one Cr(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to two equivalent Ta(1) and one Cr(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Ta(1), one Ta(2), and one Cr(2) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to two equivalent Ta(2) and one Cr(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Ta(1), one Ta(2), and one Cr(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ta2CrNO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.772
_cell_length_b   4.772
_cell_length_c   9.213
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   89.723
_symmetry_Int_Tables_number   1
_cell_volume   209.805
_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  0.497  0.497  0.500  1.0
  Cr  Cr1  1  0.000  0.000  0.000  1.0
  N  N2  1  0.802  0.802  0.831  1.0
  N  N3  1  0.802  0.802  0.169  1.0
  O  O4  1  0.195  0.195  0.500  1.0
  O  O5  1  0.807  0.807  0.500  1.0
  O  O6  1  0.197  0.197  0.172  1.0
  O  O7  1  0.197  0.196  0.828  1.0
  O  O8  1  0.303  0.687  0.000  1.0
  O  O9  1  0.687  0.303  1.000  1.0
  O  O10  1  0.301  0.693  0.667  1.0
  O  O11  1  0.301  0.693  0.333  1.0
  O  O12  1  0.693  0.301  0.667  1.0
  O  O13  1  0.693  0.301  0.333  1.0
  Ta  Ta14  1  0.997  0.997  0.674  1.0
  Ta  Ta15  1  0.997  0.997  0.326  1.0
  Ta  Ta16  1  0.516  0.516  0.831  1.0
  Ta  Ta17  1  0.516  0.516  0.169  1.0
[/CIF]
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