The crystal structure described by Rb3LiErV2O8 crystallizes in the monoclinic C2/m space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 1-coordinate geometry to one O(1) and two equivalent O(3) atoms. In the second Rb site, Rb(2) is bonded in a distorted linear geometry to two equivalent O(3) atoms. Li(1) is bonded in a square co-planar geometry to four equivalent O(2) atoms. Er(1) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form ErO6 octahedra that share corners with six equivalent V(1)O4 tetrahedra. V(1) is bonded to one O(1), one O(3), and two equivalent O(2) atoms to form VO4 tetrahedra that share corners with three equivalent Er(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-28°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to one Rb(1) and one V(1) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Li(1), one Er(1), and one V(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Rb(2), two equivalent Rb(1), one Er(1), and one V(1) atom. is represented by the CIF file [CIF]
data_Rb3LiErV2O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.079
_cell_length_b   6.138
_cell_length_c   8.407
_cell_angle_alpha   90.000
_cell_angle_beta   87.349
_cell_angle_gamma   120.318
_symmetry_Int_Tables_number   1
_cell_volume   270.409
_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  0.650  0.325  0.253  1.0
  Rb  Rb1  1  0.350  0.675  0.747  1.0
  Rb  Rb2  1  0.000  0.000  0.000  1.0
  Li  Li3  1  0.000  0.500  0.500  1.0
  Er  Er4  1  0.000  0.000  0.500  1.0
  V  V5  1  0.637  0.318  0.732  1.0
  V  V6  1  0.363  0.682  0.268  1.0
  O  O7  1  0.672  0.336  0.932  1.0
  O  O8  1  0.328  0.664  0.068  1.0
  O  O9  1  0.812  0.631  0.635  1.0
  O  O10  1  0.188  0.369  0.365  1.0
  O  O11  1  0.812  0.181  0.635  1.0
  O  O12  1  0.188  0.819  0.365  1.0
  O  O13  1  0.312  0.156  0.681  1.0
  O  O14  1  0.688  0.844  0.319  1.0
[/CIF]
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The crystal structure described by Rb3LiErV2O8 crystallizes in the monoclinic C2/m space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 1-coordinate geometry to one O(1) and two equivalent O(3) atoms. In the second Rb site, Rb(2) is bonded in a distorted linear geometry to two equivalent O(3) atoms. Li(1) is bonded in a square co-planar geometry to four equivalent O(2) atoms. Er(1) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form ErO6 octahedra that share corners with six equivalent V(1)O4 tetrahedra. V(1) is bonded to one O(1), one O(3), and two equivalent O(2) atoms to form VO4 tetrahedra that share corners with three equivalent Er(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-28°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to one Rb(1) and one V(1) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Li(1), one Er(1), and one V(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Rb(2), two equivalent Rb(1), one Er(1), and one V(1) atom. is represented by the CIF file [CIF]
data_Rb3LiErV2O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.079
_cell_length_b   6.138
_cell_length_c   8.407
_cell_angle_alpha   90.000
_cell_angle_beta   87.349
_cell_angle_gamma   120.318
_symmetry_Int_Tables_number   1
_cell_volume   270.409
_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  0.650  0.325  0.253  1.0
  Rb  Rb1  1  0.350  0.675  0.747  1.0
  Rb  Rb2  1  0.000  0.000  0.000  1.0
  Li  Li3  1  0.000  0.500  0.500  1.0
  Er  Er4  1  0.000  0.000  0.500  1.0
  V  V5  1  0.637  0.318  0.732  1.0
  V  V6  1  0.363  0.682  0.268  1.0
  O  O7  1  0.672  0.336  0.932  1.0
  O  O8  1  0.328  0.664  0.068  1.0
  O  O9  1  0.812  0.631  0.635  1.0
  O  O10  1  0.188  0.369  0.365  1.0
  O  O11  1  0.812  0.181  0.635  1.0
  O  O12  1  0.188  0.819  0.365  1.0
  O  O13  1  0.312  0.156  0.681  1.0
  O  O14  1  0.688  0.844  0.319  1.0
[/CIF]
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