The structure described by FeNbO4 is Hydrophilite-derived structured and crystallizes in the triclinic P1 space group. There are four inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one O(2), one O(3), one O(4), one O(5), one O(6), and one O(7) atom to form NbO6 octahedra that share corners with two equivalent Nb(2)O6 octahedra, corners with two equivalent Nb(4)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with two equivalent Fe(4)O6 octahedra, and edges with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-57°. In the second Nb site, Nb(2) is bonded to one O(10), one O(11), one O(5), one O(7), one O(8), and one O(9) atom to form distorted NbO6 octahedra that share corners with two equivalent Nb(1)O6 octahedra, corners with two equivalent Nb(3)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra, and edges with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-58°. In the third Nb site, Nb(3) is bonded to one O(11), one O(12), one O(13), one O(14), one O(15), and one O(9) atom to form distorted NbO6 octahedra that share corners with two equivalent Nb(2)O6 octahedra, corners with two equivalent Nb(4)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with two equivalent Fe(4)O6 octahedra, and edges with two equivalent Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-58°. In the fourth Nb site, Nb(4) is bonded to one O(1), one O(14), one O(15), one O(16), one O(2), and one O(4) atom to form distorted NbO6 octahedra that share corners with two equivalent Nb(1)O6 octahedra, corners with two equivalent Nb(3)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra, and edges with two equivalent Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-57°. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(3), one O(4), one O(5), one O(6), and one O(8) atom to form distorted FeO6 octahedra that share corners with two equivalent Nb(2)O6 octahedra, corners with two equivalent Nb(4)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with two equivalent Fe(4)O6 octahedra, and edges with two equivalent Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-55°. In the second Fe site, Fe(2) is bonded to one O(10), one O(12), one O(6), one O(7), one O(8), and one O(9) atom to form FeO6 octahedra that share corners with two equivalent Nb(1)O6 octahedra, corners with two equivalent Nb(3)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra, and edges with two equivalent Nb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-57°. In the third Fe site, Fe(3) is bonded to one O(10), one O(11), one O(12), one O(13), one O(14), and one O(16) atom to form distorted FeO6 octahedra that share corners with two equivalent Nb(2)O6 octahedra, corners with two equivalent Nb(4)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with two equivalent Fe(4)O6 octahedra, and edges with two equivalent Nb(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-57°. In the fourth Fe site, Fe(4) is bonded to one O(1), one O(13), one O(15), one O(16), one O(2), and one O(3) atom to form distorted FeO6 octahedra that share corners with two equivalent Nb(1)O6 octahedra, corners with two equivalent Nb(3)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra, and edges with two equivalent Nb(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-55°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Nb(4), one Fe(1), and one Fe(4) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Nb(1), one Nb(4), and one Fe(4) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Nb(1), one Fe(1), and one Fe(4) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Nb(1), one Nb(4), and one Fe(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Nb(1), one Nb(2), and one Fe(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Nb(1), one Fe(1), and one Fe(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Nb(1), one Nb(2), and one Fe(2) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Nb(2), one Fe(1), and one Fe(2) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Nb(2), one Nb(3), and one Fe(2) atom. In the tenth O site, O(10) is bonded in a trigonal planar geometry to one Nb(2), one Fe(2), and one Fe(3) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Nb(2), one Nb(3), and one Fe(3) atom. In the twelfth O site, O(12) is bonded in a trigonal planar geometry to one Nb(3), one Fe(2), and one Fe(3) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal planar geometry to one Nb(3), one Fe(3), and one Fe(4) atom. In the fourteenth O site, O(14) is bonded in a distorted trigonal planar geometry to one Nb(3), one Nb(4), and one Fe(3) atom. In the fifteenth O site, O(15) is bonded in a distorted trigonal planar geometry to one Nb(3), one Nb(4), and one Fe(4) atom. In the sixteenth O site, O(16) is bonded in a distorted trigonal planar geometry to one Nb(4), one Fe(3), and one Fe(4) atom. is represented by the CIF card [CIF]
data_NbFeO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.435
_cell_length_b   5.076
_cell_length_c   5.650
_cell_angle_alpha   89.479
_cell_angle_beta   90.222
_cell_angle_gamma   90.133
_symmetry_Int_Tables_number   1
_cell_volume   270.551
_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
  Nb  Nb0  1  0.245  0.762  0.339  1.0
  Nb  Nb1  1  0.502  0.261  0.166  1.0
  Nb  Nb2  1  0.746  0.268  0.666  1.0
  Nb  Nb3  1  0.003  0.767  0.835  1.0
  Fe  Fe4  1  0.254  0.240  0.680  1.0
  Fe  Fe5  1  0.496  0.742  0.830  1.0
  Fe  Fe6  1  0.752  0.745  0.322  1.0
  Fe  Fe7  1  0.996  0.243  0.180  1.0
  O  O8  1  0.115  0.077  0.901  1.0
  O  O9  1  0.113  0.580  0.135  1.0
  O  O10  1  0.140  0.077  0.401  1.0
  O  O11  1  0.137  0.580  0.634  1.0
  O  O12  1  0.368  0.418  0.374  1.0
  O  O13  1  0.365  0.906  0.629  1.0
  O  O14  1  0.381  0.926  0.126  1.0
  O  O15  1  0.391  0.425  0.870  1.0
  O  O16  1  0.608  0.075  0.861  1.0
  O  O17  1  0.612  0.582  0.091  1.0
  O  O18  1  0.637  0.081  0.365  1.0
  O  O19  1  0.638  0.580  0.594  1.0
  O  O20  1  0.859  0.411  0.377  1.0
  O  O21  1  0.867  0.924  0.623  1.0
  O  O22  1  0.883  0.421  0.880  1.0
  O  O23  1  0.890  0.910  0.123  1.0
[/CIF]
.
The structure described by FeNbO4 is Hydrophilite-derived structured and crystallizes in the triclinic P1 space group. There are four inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one O(2), one O(3), one O(4), one O(5), one O(6), and one O(7) atom to form NbO6 octahedra that share corners with two equivalent Nb(2)O6 octahedra, corners with two equivalent Nb(4)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with two equivalent Fe(4)O6 octahedra, and edges with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-57°. In the second Nb site, Nb(2) is bonded to one O(10), one O(11), one O(5), one O(7), one O(8), and one O(9) atom to form distorted NbO6 octahedra that share corners with two equivalent Nb(1)O6 octahedra, corners with two equivalent Nb(3)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra, and edges with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-58°. In the third Nb site, Nb(3) is bonded to one O(11), one O(12), one O(13), one O(14), one O(15), and one O(9) atom to form distorted NbO6 octahedra that share corners with two equivalent Nb(2)O6 octahedra, corners with two equivalent Nb(4)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with two equivalent Fe(4)O6 octahedra, and edges with two equivalent Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-58°. In the fourth Nb site, Nb(4) is bonded to one O(1), one O(14), one O(15), one O(16), one O(2), and one O(4) atom to form distorted NbO6 octahedra that share corners with two equivalent Nb(1)O6 octahedra, corners with two equivalent Nb(3)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra, and edges with two equivalent Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-57°. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(3), one O(4), one O(5), one O(6), and one O(8) atom to form distorted FeO6 octahedra that share corners with two equivalent Nb(2)O6 octahedra, corners with two equivalent Nb(4)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with two equivalent Fe(4)O6 octahedra, and edges with two equivalent Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-55°. In the second Fe site, Fe(2) is bonded to one O(10), one O(12), one O(6), one O(7), one O(8), and one O(9) atom to form FeO6 octahedra that share corners with two equivalent Nb(1)O6 octahedra, corners with two equivalent Nb(3)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra, and edges with two equivalent Nb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-57°. In the third Fe site, Fe(3) is bonded to one O(10), one O(11), one O(12), one O(13), one O(14), and one O(16) atom to form distorted FeO6 octahedra that share corners with two equivalent Nb(2)O6 octahedra, corners with two equivalent Nb(4)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with two equivalent Fe(4)O6 octahedra, and edges with two equivalent Nb(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-57°. In the fourth Fe site, Fe(4) is bonded to one O(1), one O(13), one O(15), one O(16), one O(2), and one O(3) atom to form distorted FeO6 octahedra that share corners with two equivalent Nb(1)O6 octahedra, corners with two equivalent Nb(3)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra, and edges with two equivalent Nb(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-55°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Nb(4), one Fe(1), and one Fe(4) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Nb(1), one Nb(4), and one Fe(4) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Nb(1), one Fe(1), and one Fe(4) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Nb(1), one Nb(4), and one Fe(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Nb(1), one Nb(2), and one Fe(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Nb(1), one Fe(1), and one Fe(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Nb(1), one Nb(2), and one Fe(2) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Nb(2), one Fe(1), and one Fe(2) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Nb(2), one Nb(3), and one Fe(2) atom. In the tenth O site, O(10) is bonded in a trigonal planar geometry to one Nb(2), one Fe(2), and one Fe(3) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Nb(2), one Nb(3), and one Fe(3) atom. In the twelfth O site, O(12) is bonded in a trigonal planar geometry to one Nb(3), one Fe(2), and one Fe(3) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal planar geometry to one Nb(3), one Fe(3), and one Fe(4) atom. In the fourteenth O site, O(14) is bonded in a distorted trigonal planar geometry to one Nb(3), one Nb(4), and one Fe(3) atom. In the fifteenth O site, O(15) is bonded in a distorted trigonal planar geometry to one Nb(3), one Nb(4), and one Fe(4) atom. In the sixteenth O site, O(16) is bonded in a distorted trigonal planar geometry to one Nb(4), one Fe(3), and one Fe(4) atom. is represented by the CIF card [CIF]
data_NbFeO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.435
_cell_length_b   5.076
_cell_length_c   5.650
_cell_angle_alpha   89.479
_cell_angle_beta   90.222
_cell_angle_gamma   90.133
_symmetry_Int_Tables_number   1
_cell_volume   270.551
_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
  Nb  Nb0  1  0.245  0.762  0.339  1.0
  Nb  Nb1  1  0.502  0.261  0.166  1.0
  Nb  Nb2  1  0.746  0.268  0.666  1.0
  Nb  Nb3  1  0.003  0.767  0.835  1.0
  Fe  Fe4  1  0.254  0.240  0.680  1.0
  Fe  Fe5  1  0.496  0.742  0.830  1.0
  Fe  Fe6  1  0.752  0.745  0.322  1.0
  Fe  Fe7  1  0.996  0.243  0.180  1.0
  O  O8  1  0.115  0.077  0.901  1.0
  O  O9  1  0.113  0.580  0.135  1.0
  O  O10  1  0.140  0.077  0.401  1.0
  O  O11  1  0.137  0.580  0.634  1.0
  O  O12  1  0.368  0.418  0.374  1.0
  O  O13  1  0.365  0.906  0.629  1.0
  O  O14  1  0.381  0.926  0.126  1.0
  O  O15  1  0.391  0.425  0.870  1.0
  O  O16  1  0.608  0.075  0.861  1.0
  O  O17  1  0.612  0.582  0.091  1.0
  O  O18  1  0.637  0.081  0.365  1.0
  O  O19  1  0.638  0.580  0.594  1.0
  O  O20  1  0.859  0.411  0.377  1.0
  O  O21  1  0.867  0.924  0.623  1.0
  O  O22  1  0.883  0.421  0.880  1.0
  O  O23  1  0.890  0.910  0.123  1.0
[/CIF]
.