data_VFeO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.71
_cell_length_b   8.04
_cell_length_c   9.3
_cell_angle_alpha   96.64
_cell_angle_beta   106.77
_cell_angle_gamma   101.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VFeO4
_chemical_formula_sum   'V6 Fe6 O24'
_cell_volume   463.19
_cell_formula_units_Z   6
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  V30  1  0.68  0.16  0.12  1.0
  V  V31  1  0.76  0.44  0.25  1.0
  V  V32  1  0.46  0.19  0.02  1.0
  V  V33  1  0.98  0.06  0.74  1.0
  V  V34  1  0.68  0.81  0.5  1.0
  V  V35  1  0.76  0.09  0.64  1.0
  Fe  Fe0  1  0.99  0.39  0.11  1.0
  Fe  Fe1  1  0.14  0.67  0.87  1.0
  Fe  Fe2  1  0.86  0.8  0.61  1.0
  Fe  Fe3  1  0.58  0.44  0.15  1.0
  Fe  Fe4  1  0.29  0.58  0.89  1.0
  Fe  Fe5  1  0.45  0.86  0.64  1.0
  O  O6  1  0.19  0.71  0.18  1.0
  O  O7  1  0.19  0.28  0.31  1.0
  O  O8  1  0.11  0.94  0.29  1.0
  O  O9  1  0.71  0.92  0.33  1.0
  O  O10  1  0.17  0.6  0.55  1.0
  O  O11  1  0.74  0.65  0.96  1.0
  O  O12  1  0.89  0.44  0.21  1.0
  O  O13  1  0.02  0.39  0.3  1.0
  O  O14  1  0.89  0.25  0.2  1.0
  O  O15  1  0.9  0.72  0.72  1.0
  O  O16  1  0.79  0.03  0.79  1.0
  O  O17  1  0.09  0.83  0.8  1.0
  O  O18  1  0.34  0.42  0.95  1.0
  O  O19  1  0.65  0.22  0.96  1.0
  O  O20  1  0.53  0.52  0.04  1.0
  O  O21  1  0.55  1.0  0.56  1.0
  O  O22  1  0.42  0.86  0.46  1.0
  O  O23  1  0.55  0.81  0.54  1.0
  O  O24  1  0.69  0.6  0.79  1.0
  O  O25  1  0.27  0.65  0.21  1.0
  O  O26  1  0.73  0.33  0.42  1.0
  O  O27  1  0.33  0.31  0.46  1.0
  O  O28  1  0.25  0.97  0.44  1.0
  O  O29  1  0.25  0.54  0.58  1.0

data_VFeO4
_symmetry_space_group_name_H-M   P-1
_cell_length_a   6.71
_cell_length_b   8.04
_cell_length_c   9.3
_cell_angle_alpha   96.64
_cell_angle_beta   106.77
_cell_angle_gamma   101.38
_symmetry_Int_Tables_number   2
_chemical_formula_structural   VFeO4
_chemical_formula_sum   'V6 Fe6 O24'
_cell_volume   463.19
_cell_formula_units_Z   6
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.24  0.07  0.64  1.0
  V  V1  2  0.46  0.03  0.74  1.0
  V  V2  2  0.46  0.68  0.13  1.0
  Fe  Fe3  2  0.08  0.45  0.51  1.0
  Fe  Fe4  2  0.23  0.73  0.27  1.0
  Fe  Fe5  2  0.36  0.32  0.77  1.0
  O  O6  2  0.03  0.42  0.2  1.0
  O  O7  2  0.03  0.85  0.07  1.0
  O  O8  2  0.05  0.53  0.83  1.0
  O  O9  2  0.11  0.19  0.09  1.0
  O  O10  2  0.12  0.29  0.57  1.0
  O  O11  2  0.2  0.74  0.08  1.0
  O  O12  2  0.31  0.4  0.66  1.0
  O  O13  2  0.33  0.68  0.17  1.0
  O  O14  2  0.33  0.87  0.18  1.0
  O  O15  2  0.43  0.1  0.59  1.0
  O  O16  2  0.48  0.47  0.41  1.0
  O  O17  2  0.49  0.8  0.96  1.0

V V V V V V Fe Fe Fe Fe Fe Fe O O O O O O O O O O O O O O O O O O O O O O O O
FeVO4 is Indium-like structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of one FeVO4 cluster. There are three inequivalent V sites. In the first V site, V(1) is bonded in a distorted water-like geometry to one O(11) and one O(9) atom. The V(1)-O(11) bond length is 1.55 Å. The V(1)-O(9) bond length is 1.38 Å. In the second V site, V(2) is bonded in a distorted single-bond geometry to one O(4), one O(7), and one O(8) atom. The V(2)-O(4) bond length is 1.94 Å. The V(2)-O(7) bond length is 1.06 Å. The V(2)-O(8) bond length is 1.84 Å. In the third V site, V(3) is bonded in a 1-coordinate geometry to one O(11) and one O(12) atom. The V(3)-O(11) bond length is 1.49 Å. The V(3)-O(12) bond length is 2.21 Å. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 1-coordinate geometry to one O(5), one O(7), and one O(8) atom. The Fe(1)-O(5) bond length is 2.40 Å. The Fe(1)-O(7) bond length is 1.34 Å. The Fe(1)-O(8) bond length is 1.67 Å. In the second Fe site, Fe(2) is bonded in a distorted single-bond geometry to one O(12) atom. The Fe(2)-O(12) bond length is 1.55 Å. In the third Fe site, Fe(3) is bonded in a 1-coordinate geometry to one O(10) atom. The Fe(3)-O(10) bond length is 1.27 Å. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one O(5) atom. The O(1)-O(5) bond length is 0.78 Å. In the second O site, O(2) is bonded in a 2-coordinate geometry to one O(3) and one O(8) atom. The O(2)-O(3) bond length is 1.43 Å. The O(2)-O(8) bond length is 1.54 Å. In the third O site, O(3) is bonded in a single-bond geometry to one O(2) atom. In the fourth O site, O(4) is bonded in a single-bond geometry to one V(2) atom. In the fifth O site, O(5) is bonded in an L-shaped geometry to one Fe(1) and one O(1) atom. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one O(10) and one O(6) atom. The O(6)-O(10) bond length is 1.91 Å. The O(6)-O(6) bond length is 1.54 Å. In the seventh O site, O(7) is bonded in a distorted bent 150 degrees geometry to one V(2), one Fe(1), and one O(8) atom. The O(7)-O(8) bond length is 1.19 Å. In the eighth O site, O(8) is bonded in a 5-coordinate geometry to one V(2), one Fe(1), one O(2), one O(7), and one O(9) atom. The O(8)-O(9) bond length is 1.33 Å. In the ninth O site, O(9) is bonded in a 1-coordinate geometry to one V(1) and one O(8) atom. In the tenth O site, O(10) is bonded in a single-bond geometry to one Fe(3), one O(12), and one O(6) atom. The O(10)-O(12) bond length is 1.36 Å. In the eleventh O site, O(11) is bonded in a 2-coordinate geometry to one V(1) and one V(3) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one V(3), one Fe(2), and one O(10) atom.