The material described by Rb2V3O8 crystallizes in the tetragonal P4bm space group. Rb(1) is bonded in a 6-coordinate geometry to one O(3), two equivalent O(2), and three equivalent O(4) atoms. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(3), one O(4), and two equivalent O(2) atoms to form corner-sharing VO4 tetrahedra. In the second V site, V(2) is bonded in a 5-coordinate geometry to one O(1) and four equivalent O(2) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one V(2) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Rb(1), one V(1), and one V(2) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Rb(1) and two equivalent V(1) atoms. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to three equivalent Rb(1) and one V(1) atom. is represented by the CIF card [CIF]
data_Rb2V3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.902
_cell_length_b   8.902
_cell_length_c   5.596
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   443.505
_cell_formula_units_Z   2
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  0.169  0.669  0.001  1.0
  Rb  Rb1  1  0.669  0.831  0.001  1.0
  Rb  Rb2  1  0.331  0.169  0.001  1.0
  Rb  Rb3  1  0.831  0.331  0.001  1.0
  V  V4  1  0.366  0.866  0.526  1.0
  V  V5  1  0.866  0.634  0.526  1.0
  V  V6  1  0.134  0.366  0.526  1.0
  V  V7  1  0.634  0.134  0.526  1.0
  V  V8  1  0.500  0.500  0.535  1.0
  V  V9  1  0.000  0.000  0.535  1.0
  O  O10  1  0.500  0.500  0.245  1.0
  O  O11  1  0.000  0.000  0.245  1.0
  O  O12  1  0.808  0.084  0.636  1.0
  O  O13  1  0.192  0.916  0.636  1.0
  O  O14  1  0.916  0.808  0.636  1.0
  O  O15  1  0.084  0.192  0.636  1.0
  O  O16  1  0.416  0.692  0.636  1.0
  O  O17  1  0.692  0.584  0.636  1.0
  O  O18  1  0.308  0.416  0.636  1.0
  O  O19  1  0.584  0.308  0.636  1.0
  O  O20  1  0.500  0.000  0.641  1.0
  O  O21  1  0.000  0.500  0.641  1.0
  O  O22  1  0.631  0.131  0.232  1.0
  O  O23  1  0.131  0.369  0.232  1.0
  O  O24  1  0.869  0.631  0.232  1.0
  O  O25  1  0.369  0.869  0.232  1.0
[/CIF]
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The material described by Rb2V3O8 crystallizes in the tetragonal P4bm space group. Rb(1) is bonded in a 6-coordinate geometry to one O(3), two equivalent O(2), and three equivalent O(4) atoms. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(3), one O(4), and two equivalent O(2) atoms to form corner-sharing VO4 tetrahedra. In the second V site, V(2) is bonded in a 5-coordinate geometry to one O(1) and four equivalent O(2) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one V(2) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Rb(1), one V(1), and one V(2) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Rb(1) and two equivalent V(1) atoms. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to three equivalent Rb(1) and one V(1) atom. is represented by the CIF card [CIF]
data_Rb2V3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.902
_cell_length_b   8.902
_cell_length_c   5.596
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   443.505
_cell_formula_units_Z   2
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  0.169  0.669  0.001  1.0
  Rb  Rb1  1  0.669  0.831  0.001  1.0
  Rb  Rb2  1  0.331  0.169  0.001  1.0
  Rb  Rb3  1  0.831  0.331  0.001  1.0
  V  V4  1  0.366  0.866  0.526  1.0
  V  V5  1  0.866  0.634  0.526  1.0
  V  V6  1  0.134  0.366  0.526  1.0
  V  V7  1  0.634  0.134  0.526  1.0
  V  V8  1  0.500  0.500  0.535  1.0
  V  V9  1  0.000  0.000  0.535  1.0
  O  O10  1  0.500  0.500  0.245  1.0
  O  O11  1  0.000  0.000  0.245  1.0
  O  O12  1  0.808  0.084  0.636  1.0
  O  O13  1  0.192  0.916  0.636  1.0
  O  O14  1  0.916  0.808  0.636  1.0
  O  O15  1  0.084  0.192  0.636  1.0
  O  O16  1  0.416  0.692  0.636  1.0
  O  O17  1  0.692  0.584  0.636  1.0
  O  O18  1  0.308  0.416  0.636  1.0
  O  O19  1  0.584  0.308  0.636  1.0
  O  O20  1  0.500  0.000  0.641  1.0
  O  O21  1  0.000  0.500  0.641  1.0
  O  O22  1  0.631  0.131  0.232  1.0
  O  O23  1  0.131  0.369  0.232  1.0
  O  O24  1  0.869  0.631  0.232  1.0
  O  O25  1  0.369  0.869  0.232  1.0
[/CIF]
.