data_Rb2LiVO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.49
_cell_length_b   6.49
_cell_length_c   7.88
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   126.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Rb2LiVO4
_chemical_formula_sum   'Rb4 Li2 V2 O8'
_cell_volume   267.25
_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  Rb10  1  0.93  0.79  0.4  1.0
  Rb  Rb11  1  0.93  0.08  0.21  1.0
  Rb  Rb12  1  0.93  0.21  0.34  1.0
  Rb  Rb13  1  0.93  0.92  0.15  1.0
  Li  Li0  1  0.93  0.54  0.6  1.0
  Li  Li1  1  0.93  0.46  0.55  1.0
  V  V14  1  0.93  0.2  0.87  1.0
  V  V15  1  0.93  0.8  0.82  1.0
  O  O2  1  0.93  0.92  0.61  1.0
  O  O3  1  0.52  0.66  0.72  1.0
  O  O4  1  0.33  0.66  0.72  1.0
  O  O5  1  0.93  0.46  0.21  1.0
  O  O6  1  0.93  0.08  0.56  1.0
  O  O7  1  0.52  0.34  0.66  1.0
  O  O8  1  0.33  0.34  0.66  1.0
  O  O9  1  0.93  0.54  0.15  1.0

data_Rb2LiVO4
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.85
_cell_length_b   6.49
_cell_length_c   7.88
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   116.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Rb2LiVO4
_chemical_formula_sum   'Rb4 Li2 V2 O8'
_cell_volume   267.25
_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  0.08  0.0  0.15  1.0
  Rb  Rb1  1  0.21  0.14  0.4  1.0
  Rb  Rb2  1  0.79  0.71  0.34  1.0
  Rb  Rb3  1  0.92  0.85  0.21  1.0
  Li  Li4  1  0.46  0.39  0.6  1.0
  Li  Li5  1  0.54  0.47  0.55  1.0
  V  V6  1  0.2  0.12  0.82  1.0
  V  V7  1  0.8  0.73  0.87  1.0
  O  O8  1  0.08  0.01  0.61  1.0
  O  O9  1  0.34  0.68  0.72  1.0
  O  O10  1  0.34  0.86  0.72  1.0
  O  O11  1  0.46  0.39  0.15  1.0
  O  O12  1  0.54  0.46  0.21  1.0
  O  O13  1  0.66  0.18  0.66  1.0
  O  O14  1  0.66  0.99  0.66  1.0
  O  O15  1  0.92  0.85  0.56  1.0

Rb Rb Rb Rb Li Li V V O O O O O O O O
Rb2LiVO4 crystallizes in the triclinic P1 space group. There are four inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a single-bond geometry to one Rb(4), one O(1), one O(5), and one O(8) atom. The Rb(1)-Rb(4) bond length is 2.16 Å. The Rb(1)-O(1) bond length is 1.88 Å. The Rb(1)-O(5) bond length is 2.27 Å. The Rb(1)-O(8) bond length is 2.54 Å. In the second Rb site, Rb(2) is bonded in a 4-coordinate geometry to one Rb(3), one Rb(4), one V(1), and one O(4) atom. The Rb(2)-Rb(3) bond length is 1.39 Å. The Rb(2)-Rb(4) bond length is 1.09 Å. The Rb(2)-V(1) bond length is 2.76 Å. The Rb(2)-O(4) bond length is 2.50 Å. In the third Rb site, Rb(3) is bonded in a distorted bent 150 degrees geometry to one Rb(2), one O(4), and one O(5) atom. The Rb(3)-O(4) bond length is 1.92 Å. The Rb(3)-O(5) bond length is 1.88 Å. In the fourth Rb site, Rb(4) is bonded in a 5-coordinate geometry to one Rb(1), one Rb(2), one V(1), one V(2), and one O(8) atom. The Rb(4)-V(1) bond length is 2.82 Å. The Rb(4)-V(2) bond length is 2.76 Å. The Rb(4)-O(8) bond length is 2.50 Å. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 2-coordinate geometry to one Li(2), one V(1), one O(3), and one O(6) atom. The Li(1)-Li(2) bond length is 0.68 Å. The Li(1)-V(1) bond length is 3.07 Å. The Li(1)-O(3) bond length is 2.46 Å. The Li(1)-O(6) bond length is 2.21 Å. In the second Li site, Li(2) is bonded in a 1-coordinate geometry to one Li(1), one O(3), and one O(5) atom. The Li(2)-O(3) bond length is 2.56 Å. The Li(2)-O(5) bond length is 2.47 Å. There are two inequivalent V sites. In the first V site, V(1) is bonded in a 8-coordinate geometry to one Rb(2), one Rb(4), one Li(1), one V(2), one O(1), one O(3), one O(5), and one O(7) atom. The V(1)-V(2) bond length is 2.62 Å. The V(1)-O(1) bond length is 2.74 Å. The V(1)-O(3) bond length is 2.82 Å. The V(1)-O(5) bond length is 2.62 Å. The V(1)-O(7) bond length is 2.78 Å. In the second V site, V(2) is bonded in a distorted single-bond geometry to one Rb(4), one V(1), one O(1), and one O(2) atom. The V(2)-O(1) bond length is 1.77 Å. The V(2)-O(2) bond length is 2.35 Å. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Rb(1), one V(1), one V(2), and one O(5) atom. The O(1)-O(5) bond length is 1.15 Å. In the second O site, O(2) is bonded in a 3-coordinate geometry to one V(2), one O(3), and one O(7) atom. The O(2)-O(3) bond length is 1.19 Å. The O(2)-O(7) bond length is 1.71 Å. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one V(1), and one O(2) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one Rb(2), one Rb(3), and one O(8) atom. The O(4)-O(8) bond length is 0.67 Å. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Rb(1), one Rb(3), one Li(2), one V(1), and one O(1) atom. In the sixth O site, O(6) is bonded in a 1-coordinate geometry to one Li(1) and one O(7) atom. The O(6)-O(7) bond length is 1.19 Å. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one V(1), one O(2), and one O(6) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Rb(1), one Rb(4), and one O(4) atom.