The material described by RbVOF3 crystallizes in the orthorhombic Pbam space group. Rb(1) is bonded in a 9-coordinate geometry to two equivalent O(1), one F(2), two equivalent F(3), and four equivalent F(1) atoms. V(1) is bonded to one O(1), one F(1), two equivalent F(2), and two equivalent F(3) atoms to form a mixture of distorted corner and edge-sharing VOF5 octahedra. The corner-sharing octahedral tilt angles are 17°. O(1) is bonded in a distorted single-bond geometry to two equivalent Rb(1) and one V(1) atom. There are three inequivalent F sites. In the first F site, F(1) is bonded in a distorted single-bond geometry to four equivalent Rb(1) and one V(1) atom. In the second F site, F(2) is bonded in a distorted linear geometry to one Rb(1) and two equivalent V(1) atoms. In the third F site, F(3) is bonded to two equivalent Rb(1) and two equivalent V(1) atoms to form a mixture of distorted corner and edge-sharing FRb2V2 tetrahedra. is represented by the CIF card [CIF]
data_RbVOF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.957
_cell_length_b   8.788
_cell_length_c   11.826
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   411.254
_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
  Rb  Rb0  1  0.500  0.009  0.782  1.0
  Rb  Rb1  1  0.500  0.991  0.218  1.0
  Rb  Rb2  1  0.500  0.491  0.282  1.0
  Rb  Rb3  1  0.500  0.509  0.718  1.0
  V  V4  1  0.000  0.308  0.017  1.0
  V  V5  1  0.000  0.808  0.483  1.0
  V  V6  1  0.000  0.192  0.517  1.0
  V  V7  1  0.000  0.692  0.983  1.0
  O  O8  1  0.000  0.157  0.935  1.0
  O  O9  1  0.000  0.843  0.065  1.0
  O  O10  1  0.000  0.657  0.565  1.0
  O  O11  1  0.000  0.343  0.435  1.0
  F  F12  1  0.000  0.267  0.669  1.0
  F  F13  1  0.000  0.233  0.169  1.0
  F  F14  1  0.500  0.833  0.467  1.0
  F  F15  1  0.000  0.733  0.331  1.0
  F  F16  1  0.000  0.031  0.397  1.0
  F  F17  1  0.500  0.167  0.533  1.0
  F  F18  1  0.500  0.667  0.967  1.0
  F  F19  1  0.000  0.767  0.831  1.0
  F  F20  1  0.000  0.469  0.897  1.0
  F  F21  1  0.000  0.531  0.103  1.0
  F  F22  1  0.000  0.969  0.603  1.0
  F  F23  1  0.500  0.333  0.033  1.0
[/CIF]
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The material described by RbVOF3 crystallizes in the orthorhombic Pbam space group. Rb(1) is bonded in a 9-coordinate geometry to two equivalent O(1), one F(2), two equivalent F(3), and four equivalent F(1) atoms. V(1) is bonded to one O(1), one F(1), two equivalent F(2), and two equivalent F(3) atoms to form a mixture of distorted corner and edge-sharing VOF5 octahedra. The corner-sharing octahedral tilt angles are 17°. O(1) is bonded in a distorted single-bond geometry to two equivalent Rb(1) and one V(1) atom. There are three inequivalent F sites. In the first F site, F(1) is bonded in a distorted single-bond geometry to four equivalent Rb(1) and one V(1) atom. In the second F site, F(2) is bonded in a distorted linear geometry to one Rb(1) and two equivalent V(1) atoms. In the third F site, F(3) is bonded to two equivalent Rb(1) and two equivalent V(1) atoms to form a mixture of distorted corner and edge-sharing FRb2V2 tetrahedra. is represented by the CIF card [CIF]
data_RbVOF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.957
_cell_length_b   8.788
_cell_length_c   11.826
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   411.254
_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
  Rb  Rb0  1  0.500  0.009  0.782  1.0
  Rb  Rb1  1  0.500  0.991  0.218  1.0
  Rb  Rb2  1  0.500  0.491  0.282  1.0
  Rb  Rb3  1  0.500  0.509  0.718  1.0
  V  V4  1  0.000  0.308  0.017  1.0
  V  V5  1  0.000  0.808  0.483  1.0
  V  V6  1  0.000  0.192  0.517  1.0
  V  V7  1  0.000  0.692  0.983  1.0
  O  O8  1  0.000  0.157  0.935  1.0
  O  O9  1  0.000  0.843  0.065  1.0
  O  O10  1  0.000  0.657  0.565  1.0
  O  O11  1  0.000  0.343  0.435  1.0
  F  F12  1  0.000  0.267  0.669  1.0
  F  F13  1  0.000  0.233  0.169  1.0
  F  F14  1  0.500  0.833  0.467  1.0
  F  F15  1  0.000  0.733  0.331  1.0
  F  F16  1  0.000  0.031  0.397  1.0
  F  F17  1  0.500  0.167  0.533  1.0
  F  F18  1  0.500  0.667  0.967  1.0
  F  F19  1  0.000  0.767  0.831  1.0
  F  F20  1  0.000  0.469  0.897  1.0
  F  F21  1  0.000  0.531  0.103  1.0
  F  F22  1  0.000  0.969  0.603  1.0
  F  F23  1  0.500  0.333  0.033  1.0
[/CIF]
.