The compound described by Ta2CrNO5 is Hydrophilite-derived structured and crystallizes in the monoclinic Pc 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), one O(4), and one O(5) atom to form TaNO5 octahedra that share corners with four equivalent Ta(2)NO5 octahedra, corners with four equivalent Cr(1)NO5 octahedra,  an edgeedge with one Ta(2)NO5 octahedra, and  an edgeedge with one Cr(1)NO5 octahedra. The corner-sharing octahedral tilt angles range from 44-52°. In the second Ta site, Ta(2) is bonded to one N(1), one O(1), one O(2), one O(3), one O(4), and one O(5) atom 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 44-53°. Cr(1) is bonded to one N(1), one O(1), one O(2), one O(3), one O(4), and one O(5) atom to form CrNO5 octahedra that share corners with four equivalent Ta(1)NO5 octahedra, corners with four equivalent Ta(2)NO5 octahedra,  an edgeedge with one Ta(1)NO5 octahedra, and  an edgeedge with one Ta(2)NO5 octahedra. The corner-sharing octahedral tilt angles range from 47-53°. N(1) is bonded in a distorted trigonal planar geometry to one Ta(1), one Ta(2), and one Cr(1) atom. There are five 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(1), one Ta(2), 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(1) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Ta(1), one Ta(2), and one Cr(1) 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 CIF card [CIF]
data_Ta2CrNO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.769
_cell_length_b   4.772
_cell_length_c   9.219
_cell_angle_alpha   90.000
_cell_angle_beta   89.769
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   209.810
_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  0.999  0.999  1.0
  Cr  Cr1  1  0.501  0.501  0.499  1.0
  N  N2  1  0.698  0.302  0.331  1.0
  N  N3  1  0.198  0.198  0.831  1.0
  O  O4  1  0.807  0.802  0.496  1.0
  O  O5  1  0.307  0.698  0.996  1.0
  O  O6  1  0.805  0.805  0.829  1.0
  O  O7  1  0.305  0.695  0.329  1.0
  O  O8  1  0.806  0.800  0.168  1.0
  O  O9  1  0.306  0.700  0.668  1.0
  O  O10  1  0.695  0.310  0.999  1.0
  O  O11  1  0.195  0.190  0.499  1.0
  O  O12  1  0.700  0.307  0.667  1.0
  O  O13  1  0.200  0.193  0.167  1.0
  Ta  Ta14  1  0.983  0.009  0.335  1.0
  Ta  Ta15  1  0.483  0.491  0.835  1.0
  Ta  Ta16  1  0.005  0.008  0.677  1.0
  Ta  Ta17  1  0.505  0.492  0.177  1.0
[/CIF]
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The compound described by Ta2CrNO5 is Hydrophilite-derived structured and crystallizes in the monoclinic Pc 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), one O(4), and one O(5) atom to form TaNO5 octahedra that share corners with four equivalent Ta(2)NO5 octahedra, corners with four equivalent Cr(1)NO5 octahedra,  an edgeedge with one Ta(2)NO5 octahedra, and  an edgeedge with one Cr(1)NO5 octahedra. The corner-sharing octahedral tilt angles range from 44-52°. In the second Ta site, Ta(2) is bonded to one N(1), one O(1), one O(2), one O(3), one O(4), and one O(5) atom 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 44-53°. Cr(1) is bonded to one N(1), one O(1), one O(2), one O(3), one O(4), and one O(5) atom to form CrNO5 octahedra that share corners with four equivalent Ta(1)NO5 octahedra, corners with four equivalent Ta(2)NO5 octahedra,  an edgeedge with one Ta(1)NO5 octahedra, and  an edgeedge with one Ta(2)NO5 octahedra. The corner-sharing octahedral tilt angles range from 47-53°. N(1) is bonded in a distorted trigonal planar geometry to one Ta(1), one Ta(2), and one Cr(1) atom. There are five 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(1), one Ta(2), 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(1) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Ta(1), one Ta(2), and one Cr(1) 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 CIF card [CIF]
data_Ta2CrNO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.769
_cell_length_b   4.772
_cell_length_c   9.219
_cell_angle_alpha   90.000
_cell_angle_beta   89.769
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   209.810
_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  0.999  0.999  1.0
  Cr  Cr1  1  0.501  0.501  0.499  1.0
  N  N2  1  0.698  0.302  0.331  1.0
  N  N3  1  0.198  0.198  0.831  1.0
  O  O4  1  0.807  0.802  0.496  1.0
  O  O5  1  0.307  0.698  0.996  1.0
  O  O6  1  0.805  0.805  0.829  1.0
  O  O7  1  0.305  0.695  0.329  1.0
  O  O8  1  0.806  0.800  0.168  1.0
  O  O9  1  0.306  0.700  0.668  1.0
  O  O10  1  0.695  0.310  0.999  1.0
  O  O11  1  0.195  0.190  0.499  1.0
  O  O12  1  0.700  0.307  0.667  1.0
  O  O13  1  0.200  0.193  0.167  1.0
  Ta  Ta14  1  0.983  0.009  0.335  1.0
  Ta  Ta15  1  0.483  0.491  0.835  1.0
  Ta  Ta16  1  0.005  0.008  0.677  1.0
  Ta  Ta17  1  0.505  0.492  0.177  1.0
[/CIF]
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