The crystal structure described by V4CrFe3O16 crystallizes in the monoclinic C2 space group. There are three inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(2) and two equivalent O(3) atoms to form VO4 tetrahedra that share corners with two equivalent Cr(1)O6 octahedra and corners with four equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 21-59°. In the second V site, V(2) is bonded to two equivalent O(1) and two equivalent O(4) atoms to form VO4 tetrahedra that share corners with two equivalent Fe(1)O6 octahedra and corners with four equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 21-59°. In the third V site, V(3) is bonded to one O(5), one O(6), one O(7), and one O(8) atom to form VO4 tetrahedra that share corners with two equivalent Cr(1)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, and corners with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 17-63°. Cr(1) is bonded to two equivalent O(2), two equivalent O(6), and two equivalent O(8) atoms to form CrO6 octahedra that share corners with two equivalent V(1)O4 tetrahedra, corners with four equivalent V(3)O4 tetrahedra,  an edgeedge with one Fe(1)O6 octahedra, and edges with two equivalent Fe(2)O6 octahedra. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(1), two equivalent O(6), and two equivalent O(7) atoms to form FeO6 octahedra that share corners with two equivalent V(2)O4 tetrahedra, corners with four equivalent V(3)O4 tetrahedra,  an edgeedge with one Cr(1)O6 octahedra, and edges with two equivalent Fe(2)O6 octahedra. In the second Fe site, Fe(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form FeO6 octahedra that share corners with two equivalent V(1)O4 tetrahedra, corners with two equivalent V(2)O4 tetrahedra, corners with two equivalent V(3)O4 tetrahedra,  an edgeedge with one Cr(1)O6 octahedra, and  an edgeedge with one Fe(1)O6 octahedra. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one V(2), one Fe(1), 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 Cr(1), and one Fe(2) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one V(1) and one Fe(2) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one V(2) and one Fe(2) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one V(3) and one Fe(2) atom. In the sixth O site, O(6) is bonded to one V(3), one Cr(1), one Fe(1), and one Fe(2) atom to form distorted edge-sharing OVCrFe2 tetrahedra. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one V(3) and one Fe(1) atom. In the eighth O site, O(8) is bonded in a linear geometry to one V(3) and one Cr(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_V4CrFe3O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.773
_cell_length_b   6.773
_cell_length_c   6.950
_cell_angle_alpha   77.160
_cell_angle_beta   77.160
_cell_angle_gamma   84.268
_symmetry_Int_Tables_number   1
_cell_volume   302.674
_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  0.750  0.250  0.000  1.0
  V  V1  1  0.250  0.750  0.000  1.0
  V  V2  1  0.273  0.271  0.598  1.0
  V  V3  1  0.729  0.727  0.402  1.0
  Cr  Cr4  1  0.819  0.181  0.500  1.0
  Fe  Fe5  1  0.187  0.813  0.500  1.0
  Fe  Fe6  1  0.794  0.795  0.864  1.0
  Fe  Fe7  1  0.205  0.206  0.136  1.0
  O  O8  1  0.109  0.800  0.800  1.0
  O  O9  1  0.799  0.109  0.800  1.0
  O  O10  1  0.891  0.201  0.200  1.0
  O  O11  1  0.200  0.891  0.200  1.0
  O  O12  1  0.789  0.498  0.891  1.0
  O  O13  1  0.497  0.789  0.891  1.0
  O  O14  1  0.211  0.503  0.109  1.0
  O  O15  1  0.502  0.211  0.109  1.0
  O  O16  1  0.202  0.202  0.857  1.0
  O  O17  1  0.798  0.798  0.143  1.0
  O  O18  1  0.859  0.863  0.541  1.0
  O  O19  1  0.137  0.141  0.459  1.0
  O  O20  1  0.206  0.522  0.526  1.0
  O  O21  1  0.523  0.207  0.526  1.0
  O  O22  1  0.793  0.477  0.474  1.0
  O  O23  1  0.478  0.794  0.474  1.0
[/CIF]
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The crystal structure described by V4CrFe3O16 crystallizes in the monoclinic C2 space group. There are three inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(2) and two equivalent O(3) atoms to form VO4 tetrahedra that share corners with two equivalent Cr(1)O6 octahedra and corners with four equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 21-59°. In the second V site, V(2) is bonded to two equivalent O(1) and two equivalent O(4) atoms to form VO4 tetrahedra that share corners with two equivalent Fe(1)O6 octahedra and corners with four equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 21-59°. In the third V site, V(3) is bonded to one O(5), one O(6), one O(7), and one O(8) atom to form VO4 tetrahedra that share corners with two equivalent Cr(1)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, and corners with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 17-63°. Cr(1) is bonded to two equivalent O(2), two equivalent O(6), and two equivalent O(8) atoms to form CrO6 octahedra that share corners with two equivalent V(1)O4 tetrahedra, corners with four equivalent V(3)O4 tetrahedra,  an edgeedge with one Fe(1)O6 octahedra, and edges with two equivalent Fe(2)O6 octahedra. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(1), two equivalent O(6), and two equivalent O(7) atoms to form FeO6 octahedra that share corners with two equivalent V(2)O4 tetrahedra, corners with four equivalent V(3)O4 tetrahedra,  an edgeedge with one Cr(1)O6 octahedra, and edges with two equivalent Fe(2)O6 octahedra. In the second Fe site, Fe(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form FeO6 octahedra that share corners with two equivalent V(1)O4 tetrahedra, corners with two equivalent V(2)O4 tetrahedra, corners with two equivalent V(3)O4 tetrahedra,  an edgeedge with one Cr(1)O6 octahedra, and  an edgeedge with one Fe(1)O6 octahedra. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one V(2), one Fe(1), 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 Cr(1), and one Fe(2) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one V(1) and one Fe(2) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one V(2) and one Fe(2) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one V(3) and one Fe(2) atom. In the sixth O site, O(6) is bonded to one V(3), one Cr(1), one Fe(1), and one Fe(2) atom to form distorted edge-sharing OVCrFe2 tetrahedra. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one V(3) and one Fe(1) atom. In the eighth O site, O(8) is bonded in a linear geometry to one V(3) and one Cr(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_V4CrFe3O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.773
_cell_length_b   6.773
_cell_length_c   6.950
_cell_angle_alpha   77.160
_cell_angle_beta   77.160
_cell_angle_gamma   84.268
_symmetry_Int_Tables_number   1
_cell_volume   302.674
_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  0.750  0.250  0.000  1.0
  V  V1  1  0.250  0.750  0.000  1.0
  V  V2  1  0.273  0.271  0.598  1.0
  V  V3  1  0.729  0.727  0.402  1.0
  Cr  Cr4  1  0.819  0.181  0.500  1.0
  Fe  Fe5  1  0.187  0.813  0.500  1.0
  Fe  Fe6  1  0.794  0.795  0.864  1.0
  Fe  Fe7  1  0.205  0.206  0.136  1.0
  O  O8  1  0.109  0.800  0.800  1.0
  O  O9  1  0.799  0.109  0.800  1.0
  O  O10  1  0.891  0.201  0.200  1.0
  O  O11  1  0.200  0.891  0.200  1.0
  O  O12  1  0.789  0.498  0.891  1.0
  O  O13  1  0.497  0.789  0.891  1.0
  O  O14  1  0.211  0.503  0.109  1.0
  O  O15  1  0.502  0.211  0.109  1.0
  O  O16  1  0.202  0.202  0.857  1.0
  O  O17  1  0.798  0.798  0.143  1.0
  O  O18  1  0.859  0.863  0.541  1.0
  O  O19  1  0.137  0.141  0.459  1.0
  O  O20  1  0.206  0.522  0.526  1.0
  O  O21  1  0.523  0.207  0.526  1.0
  O  O22  1  0.793  0.477  0.474  1.0
  O  O23  1  0.478  0.794  0.474  1.0
[/CIF]
.