The crystal structure described by V5Fe3O16 is Hydrophilite-derived structured and crystallizes in the monoclinic P2 space group. There are five inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms to form distorted VO6 octahedra that share corners with two equivalent V(4)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with four equivalent V(3)O6 octahedra, and edges with two equivalent Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-51°. In the second V site, V(2) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(6) atoms to form distorted VO6 octahedra that share corners with two equivalent V(4)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with four equivalent Fe(1)O6 octahedra, and edges with two equivalent V(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-55°. In the third V site, V(3) is bonded to two equivalent O(4), two equivalent O(5), and two equivalent O(7) atoms to form VO6 octahedra that share corners with two equivalent V(5)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra, corners with four equivalent V(1)O6 octahedra, and edges with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-52°. In the fourth V site, V(4) is bonded to two equivalent O(2), two equivalent O(6), and two equivalent O(8) atoms to form distorted VO6 octahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, corners with four equivalent Fe(3)O6 octahedra, and edges with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-53°. In the fifth V site, V(5) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(7) atoms to form VO6 octahedra that share corners with two equivalent V(3)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with four equivalent Fe(2)O6 octahedra, and edges with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-55°. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(3), two equivalent O(6), and two equivalent O(8) atoms to form FeO6 octahedra that share corners with two equivalent V(5)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra, corners with four equivalent V(2)O6 octahedra, and edges with two equivalent V(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-55°. In the second Fe site, Fe(2) is bonded to two equivalent O(1), two equivalent O(5), and two equivalent O(7) atoms to form FeO6 octahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, corners with four equivalent V(5)O6 octahedra, and edges with two equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-55°. In the third Fe site, Fe(3) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(8) atoms to form FeO6 octahedra that share corners with two equivalent V(3)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with four equivalent V(4)O6 octahedra, and edges with two equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-55°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one V(2), one V(5), and one Fe(2) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one V(1), one V(4), and one Fe(3) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one V(2), one V(5), and one Fe(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one V(1), one V(3), and one Fe(3) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one V(1), one V(3), and one Fe(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one V(2), one V(4), and one Fe(1) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one V(3), one V(5), and one Fe(2) atom. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one V(4), one Fe(1), and one Fe(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_V5Fe3O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.108
_cell_length_b   4.529
_cell_length_c   4.931
_cell_angle_alpha   89.549
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   248.055
_cell_formula_units_Z   1
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
  V  V0  1  0.414  0.500  0.500  1.0
  V  V1  1  0.916  0.500  0.500  1.0
  V  V2  1  0.335  0.000  0.000  1.0
  V  V3  1  0.661  0.000  0.500  1.0
  V  V4  1  0.085  0.500  0.000  1.0
  Fe  Fe5  1  0.834  0.000  0.000  1.0
  Fe  Fe6  1  0.166  0.000  0.500  1.0
  Fe  Fe7  1  0.580  0.500  0.000  1.0
  O  O8  1  0.057  0.278  0.684  1.0
  O  O9  1  0.562  0.262  0.655  1.0
  O  O10  1  0.945  0.280  0.183  1.0
  O  O11  1  0.437  0.272  0.167  1.0
  O  O12  1  0.312  0.226  0.666  1.0
  O  O13  1  0.813  0.240  0.653  1.0
  O  O14  1  0.188  0.235  0.151  1.0
  O  O15  1  0.692  0.214  0.187  1.0
  O  O16  1  0.312  0.774  0.334  1.0
  O  O17  1  0.813  0.760  0.347  1.0
  O  O18  1  0.188  0.765  0.849  1.0
  O  O19  1  0.692  0.786  0.813  1.0
  O  O20  1  0.057  0.722  0.316  1.0
  O  O21  1  0.562  0.738  0.345  1.0
  O  O22  1  0.437  0.728  0.833  1.0
  O  O23  1  0.945  0.720  0.817  1.0
[/CIF]
.
The crystal structure described by V5Fe3O16 is Hydrophilite-derived structured and crystallizes in the monoclinic P2 space group. There are five inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms to form distorted VO6 octahedra that share corners with two equivalent V(4)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with four equivalent V(3)O6 octahedra, and edges with two equivalent Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-51°. In the second V site, V(2) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(6) atoms to form distorted VO6 octahedra that share corners with two equivalent V(4)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with four equivalent Fe(1)O6 octahedra, and edges with two equivalent V(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-55°. In the third V site, V(3) is bonded to two equivalent O(4), two equivalent O(5), and two equivalent O(7) atoms to form VO6 octahedra that share corners with two equivalent V(5)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra, corners with four equivalent V(1)O6 octahedra, and edges with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-52°. In the fourth V site, V(4) is bonded to two equivalent O(2), two equivalent O(6), and two equivalent O(8) atoms to form distorted VO6 octahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, corners with four equivalent Fe(3)O6 octahedra, and edges with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-53°. In the fifth V site, V(5) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(7) atoms to form VO6 octahedra that share corners with two equivalent V(3)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with four equivalent Fe(2)O6 octahedra, and edges with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-55°. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(3), two equivalent O(6), and two equivalent O(8) atoms to form FeO6 octahedra that share corners with two equivalent V(5)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra, corners with four equivalent V(2)O6 octahedra, and edges with two equivalent V(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-55°. In the second Fe site, Fe(2) is bonded to two equivalent O(1), two equivalent O(5), and two equivalent O(7) atoms to form FeO6 octahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, corners with four equivalent V(5)O6 octahedra, and edges with two equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-55°. In the third Fe site, Fe(3) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(8) atoms to form FeO6 octahedra that share corners with two equivalent V(3)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with four equivalent V(4)O6 octahedra, and edges with two equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-55°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one V(2), one V(5), and one Fe(2) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one V(1), one V(4), and one Fe(3) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one V(2), one V(5), and one Fe(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one V(1), one V(3), and one Fe(3) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one V(1), one V(3), and one Fe(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one V(2), one V(4), and one Fe(1) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one V(3), one V(5), and one Fe(2) atom. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one V(4), one Fe(1), and one Fe(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_V5Fe3O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.108
_cell_length_b   4.529
_cell_length_c   4.931
_cell_angle_alpha   89.549
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   248.055
_cell_formula_units_Z   1
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
  V  V0  1  0.414  0.500  0.500  1.0
  V  V1  1  0.916  0.500  0.500  1.0
  V  V2  1  0.335  0.000  0.000  1.0
  V  V3  1  0.661  0.000  0.500  1.0
  V  V4  1  0.085  0.500  0.000  1.0
  Fe  Fe5  1  0.834  0.000  0.000  1.0
  Fe  Fe6  1  0.166  0.000  0.500  1.0
  Fe  Fe7  1  0.580  0.500  0.000  1.0
  O  O8  1  0.057  0.278  0.684  1.0
  O  O9  1  0.562  0.262  0.655  1.0
  O  O10  1  0.945  0.280  0.183  1.0
  O  O11  1  0.437  0.272  0.167  1.0
  O  O12  1  0.312  0.226  0.666  1.0
  O  O13  1  0.813  0.240  0.653  1.0
  O  O14  1  0.188  0.235  0.151  1.0
  O  O15  1  0.692  0.214  0.187  1.0
  O  O16  1  0.312  0.774  0.334  1.0
  O  O17  1  0.813  0.760  0.347  1.0
  O  O18  1  0.188  0.765  0.849  1.0
  O  O19  1  0.692  0.786  0.813  1.0
  O  O20  1  0.057  0.722  0.316  1.0
  O  O21  1  0.562  0.738  0.345  1.0
  O  O22  1  0.437  0.728  0.833  1.0
  O  O23  1  0.945  0.720  0.817  1.0
[/CIF]
.