The material structure described by Rb3V5O14 crystallizes in the trigonal P31m space group. Rb(1) is bonded in a 10-coordinate geometry to one O(2), two equivalent O(4), three equivalent O(3), and four equivalent O(1) atoms. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(3), two equivalent O(1), and two equivalent O(2) atoms to form distorted VO5 trigonal bipyramids that share corners with two equivalent V(2)O4 tetrahedra and corners with two equivalent V(1)O5 trigonal bipyramids. In the second V site, V(2) is bonded to one O(4) and three equivalent O(1) atoms to form corner-sharing VO4 tetrahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to two equivalent Rb(1), one V(1), and one V(2) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Rb(1) and two equivalent V(1) atoms. In the third O site, O(3) is bonded in a single-bond geometry to three equivalent Rb(1) and one V(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to three equivalent Rb(1) and one V(2) atom. is represented by the CIF file [CIF]
data_Rb3V5O14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.678
_cell_length_b   8.678
_cell_length_c   5.338
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   348.167
_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
  Rb  Rb0  1  0.000  0.614  0.177  1.0
  Rb  Rb1  1  0.614  0.000  0.177  1.0
  Rb  Rb2  1  0.386  0.386  0.177  1.0
  V  V3  1  0.770  0.770  0.673  1.0
  V  V4  1  0.000  0.230  0.673  1.0
  V  V5  1  0.230  0.000  0.673  1.0
  V  V6  1  0.333  0.667  0.657  1.0
  V  V7  1  0.667  0.333  0.657  1.0
  O  O8  1  0.168  0.461  0.545  1.0
  O  O9  1  0.292  0.832  0.545  1.0
  O  O10  1  0.539  0.708  0.545  1.0
  O  O11  1  0.708  0.539  0.545  1.0
  O  O12  1  0.832  0.292  0.545  1.0
  O  O13  1  0.461  0.168  0.545  1.0
  O  O14  1  1.000  0.832  0.614  1.0
  O  O15  1  0.832  0.000  0.614  1.0
  O  O16  1  0.168  0.168  0.614  1.0
  O  O17  1  0.745  0.745  0.974  1.0
  O  O18  1  0.000  0.255  0.974  1.0
  O  O19  1  0.255  1.000  0.974  1.0
  O  O20  1  0.333  0.667  0.964  1.0
  O  O21  1  0.667  0.333  0.964  1.0
[/CIF]
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The material structure described by Rb3V5O14 crystallizes in the trigonal P31m space group. Rb(1) is bonded in a 10-coordinate geometry to one O(2), two equivalent O(4), three equivalent O(3), and four equivalent O(1) atoms. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(3), two equivalent O(1), and two equivalent O(2) atoms to form distorted VO5 trigonal bipyramids that share corners with two equivalent V(2)O4 tetrahedra and corners with two equivalent V(1)O5 trigonal bipyramids. In the second V site, V(2) is bonded to one O(4) and three equivalent O(1) atoms to form corner-sharing VO4 tetrahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to two equivalent Rb(1), one V(1), and one V(2) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Rb(1) and two equivalent V(1) atoms. In the third O site, O(3) is bonded in a single-bond geometry to three equivalent Rb(1) and one V(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to three equivalent Rb(1) and one V(2) atom. is represented by the CIF file [CIF]
data_Rb3V5O14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.678
_cell_length_b   8.678
_cell_length_c   5.338
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   348.167
_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
  Rb  Rb0  1  0.000  0.614  0.177  1.0
  Rb  Rb1  1  0.614  0.000  0.177  1.0
  Rb  Rb2  1  0.386  0.386  0.177  1.0
  V  V3  1  0.770  0.770  0.673  1.0
  V  V4  1  0.000  0.230  0.673  1.0
  V  V5  1  0.230  0.000  0.673  1.0
  V  V6  1  0.333  0.667  0.657  1.0
  V  V7  1  0.667  0.333  0.657  1.0
  O  O8  1  0.168  0.461  0.545  1.0
  O  O9  1  0.292  0.832  0.545  1.0
  O  O10  1  0.539  0.708  0.545  1.0
  O  O11  1  0.708  0.539  0.545  1.0
  O  O12  1  0.832  0.292  0.545  1.0
  O  O13  1  0.461  0.168  0.545  1.0
  O  O14  1  1.000  0.832  0.614  1.0
  O  O15  1  0.832  0.000  0.614  1.0
  O  O16  1  0.168  0.168  0.614  1.0
  O  O17  1  0.745  0.745  0.974  1.0
  O  O18  1  0.000  0.255  0.974  1.0
  O  O19  1  0.255  1.000  0.974  1.0
  O  O20  1  0.333  0.667  0.964  1.0
  O  O21  1  0.667  0.333  0.964  1.0
[/CIF]
.