The material structure described by Rb3LiErV2O8 crystallizes in the triclinic P1 space group. There are three inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 10-coordinate geometry to one O(1), one O(3), one O(5), one O(7), two equivalent O(4), two equivalent O(6), and two equivalent O(8) atoms. In the second Rb site, Rb(2) is bonded in a 10-coordinate geometry to one O(2), one O(4), one O(6), one O(8), two equivalent O(3), two equivalent O(5), and two equivalent O(7) atoms. In the third Rb site, Rb(3) is bonded in a 7-coordinate geometry to one Li(1), one O(1), one O(2), one O(4), one O(5), one O(6), and one O(8) atom. Li(1) is bonded in a 3-coordinate geometry to one Rb(3), one O(1), one O(2), and one O(3) atom. Er(1) is bonded to one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form ErO6 octahedra that share corners with three equivalent V(1)O4 tetrahedra and corners with three equivalent V(2)O4 tetrahedra. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(3), one O(5), and one O(7) atom to form VO4 tetrahedra that share corners with three equivalent Er(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-22°. In the second V site, V(2) is bonded to one O(2), one O(4), one O(6), and one O(8) atom to form VO4 tetrahedra that share corners with three equivalent Er(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 16-19°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Rb(1), one Rb(3), one Li(1), and one V(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Rb(2), one Rb(3), one Li(1), and one V(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Rb(1), two equivalent Rb(2), one Li(1), one Er(1), and one V(1) atom. In the fourth O site, O(4) is bonded in a 1-coordinate geometry to one Rb(2), one Rb(3), two equivalent Rb(1), one Er(1), and one V(2) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to one Rb(1), one Rb(3), two equivalent Rb(2), one Er(1), and one V(1) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one Rb(2), one Rb(3), two equivalent Rb(1), one Er(1), and one V(2) atom. In the seventh O site, O(7) is bonded in a 2-coordinate geometry to one Rb(1), two equivalent Rb(2), one Er(1), and one V(1) atom. In the eighth O site, O(8) is bonded in a 2-coordinate geometry to one Rb(2), one Rb(3), two equivalent Rb(1), one Er(1), and one V(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Rb3LiErV2O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.109
_cell_length_b   6.168
_cell_length_c   7.951
_cell_angle_alpha   84.350
_cell_angle_beta   94.294
_cell_angle_gamma   119.493
_symmetry_Int_Tables_number   1
_cell_volume   259.415
_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  0.659  0.340  0.310  1.0
  Rb  Rb1  1  0.363  0.646  0.675  1.0
  Rb  Rb2  1  0.001  0.090  0.030  1.0
  Li  Li3  1  0.006  0.652  0.910  1.0
  Er  Er4  1  0.000  0.991  0.512  1.0
  V  V5  1  0.671  0.301  0.742  1.0
  V  V6  1  0.323  0.683  0.251  1.0
  O  O7  1  0.721  0.338  0.961  1.0
  O  O8  1  0.300  0.692  0.032  1.0
  O  O9  1  0.870  0.643  0.674  1.0
  O  O10  1  0.173  0.368  0.330  1.0
  O  O11  1  0.823  0.141  0.658  1.0
  O  O12  1  0.173  0.835  0.325  1.0
  O  O13  1  0.349  0.162  0.658  1.0
  O  O14  1  0.640  0.827  0.324  1.0
[/CIF]
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The material structure described by Rb3LiErV2O8 crystallizes in the triclinic P1 space group. There are three inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 10-coordinate geometry to one O(1), one O(3), one O(5), one O(7), two equivalent O(4), two equivalent O(6), and two equivalent O(8) atoms. In the second Rb site, Rb(2) is bonded in a 10-coordinate geometry to one O(2), one O(4), one O(6), one O(8), two equivalent O(3), two equivalent O(5), and two equivalent O(7) atoms. In the third Rb site, Rb(3) is bonded in a 7-coordinate geometry to one Li(1), one O(1), one O(2), one O(4), one O(5), one O(6), and one O(8) atom. Li(1) is bonded in a 3-coordinate geometry to one Rb(3), one O(1), one O(2), and one O(3) atom. Er(1) is bonded to one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form ErO6 octahedra that share corners with three equivalent V(1)O4 tetrahedra and corners with three equivalent V(2)O4 tetrahedra. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(3), one O(5), and one O(7) atom to form VO4 tetrahedra that share corners with three equivalent Er(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-22°. In the second V site, V(2) is bonded to one O(2), one O(4), one O(6), and one O(8) atom to form VO4 tetrahedra that share corners with three equivalent Er(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 16-19°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Rb(1), one Rb(3), one Li(1), and one V(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Rb(2), one Rb(3), one Li(1), and one V(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Rb(1), two equivalent Rb(2), one Li(1), one Er(1), and one V(1) atom. In the fourth O site, O(4) is bonded in a 1-coordinate geometry to one Rb(2), one Rb(3), two equivalent Rb(1), one Er(1), and one V(2) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to one Rb(1), one Rb(3), two equivalent Rb(2), one Er(1), and one V(1) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one Rb(2), one Rb(3), two equivalent Rb(1), one Er(1), and one V(2) atom. In the seventh O site, O(7) is bonded in a 2-coordinate geometry to one Rb(1), two equivalent Rb(2), one Er(1), and one V(1) atom. In the eighth O site, O(8) is bonded in a 2-coordinate geometry to one Rb(2), one Rb(3), two equivalent Rb(1), one Er(1), and one V(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Rb3LiErV2O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.109
_cell_length_b   6.168
_cell_length_c   7.951
_cell_angle_alpha   84.350
_cell_angle_beta   94.294
_cell_angle_gamma   119.493
_symmetry_Int_Tables_number   1
_cell_volume   259.415
_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  0.659  0.340  0.310  1.0
  Rb  Rb1  1  0.363  0.646  0.675  1.0
  Rb  Rb2  1  0.001  0.090  0.030  1.0
  Li  Li3  1  0.006  0.652  0.910  1.0
  Er  Er4  1  0.000  0.991  0.512  1.0
  V  V5  1  0.671  0.301  0.742  1.0
  V  V6  1  0.323  0.683  0.251  1.0
  O  O7  1  0.721  0.338  0.961  1.0
  O  O8  1  0.300  0.692  0.032  1.0
  O  O9  1  0.870  0.643  0.674  1.0
  O  O10  1  0.173  0.368  0.330  1.0
  O  O11  1  0.823  0.141  0.658  1.0
  O  O12  1  0.173  0.835  0.325  1.0
  O  O13  1  0.349  0.162  0.658  1.0
  O  O14  1  0.640  0.827  0.324  1.0
[/CIF]
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