The compound described by RbLi7(NiO3)2 crystallizes in the monoclinic C2/m space group. Rb(1) is bonded in a 4-coordinate geometry to four equivalent O(3) atoms. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form a mixture of distorted corner and edge-sharing LiO4 trigonal pyramids. In the second Li site, Li(2) is bonded to one O(1) and three equivalent O(3) atoms to form a mixture of distorted corner and edge-sharing LiO4 trigonal pyramids. In the third Li site, Li(3) is bonded to one O(1) and three equivalent O(2) atoms to form a mixture of corner and edge-sharing LiO4 tetrahedra. In the fourth Li site, Li(4) is bonded in a linear geometry to two equivalent O(2) atoms. Ni(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Li(2), one Li(3), two equivalent Li(1), and one Ni(1) atom. In the second O site, O(2) is bonded to one Li(1), one Li(4), three equivalent Li(3), and one Ni(1) atom to form a mixture of distorted corner and edge-sharing OLi5Ni octahedra. The corner-sharing octahedral tilt angles range from 0-45°. In the third O site, O(3) is bonded in a 5-coordinate geometry to two equivalent Rb(1), one Li(1), three equivalent Li(2), and one Ni(1) atom. is represented by the CIF file [CIF]
data_RbLi7(NiO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.366
_cell_length_b   5.366
_cell_length_c   10.063
_cell_angle_alpha   87.703
_cell_angle_beta   87.703
_cell_angle_gamma   40.177
_symmetry_Int_Tables_number   1
_cell_volume   186.725
_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  0.000  0.000  1.0
  Li  Li1  1  0.169  0.169  0.730  1.0
  Li  Li2  1  0.731  0.731  0.900  1.0
  Li  Li3  1  0.246  0.246  0.415  1.0
  Li  Li4  1  0.754  0.754  0.585  1.0
  Li  Li5  1  0.269  0.269  0.100  1.0
  Li  Li6  1  0.831  0.831  0.270  1.0
  Li  Li7  1  0.500  0.500  0.500  1.0
  Ni  Ni8  1  0.579  0.579  0.253  1.0
  Ni  Ni9  1  0.421  0.421  0.747  1.0
  O  O10  1  0.605  0.605  0.740  1.0
  O  O11  1  0.671  0.671  0.411  1.0
  O  O12  1  0.697  0.697  0.107  1.0
  O  O13  1  0.303  0.303  0.893  1.0
  O  O14  1  0.329  0.329  0.589  1.0
  O  O15  1  0.395  0.395  0.260  1.0
[/CIF]
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The compound described by RbLi7(NiO3)2 crystallizes in the monoclinic C2/m space group. Rb(1) is bonded in a 4-coordinate geometry to four equivalent O(3) atoms. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form a mixture of distorted corner and edge-sharing LiO4 trigonal pyramids. In the second Li site, Li(2) is bonded to one O(1) and three equivalent O(3) atoms to form a mixture of distorted corner and edge-sharing LiO4 trigonal pyramids. In the third Li site, Li(3) is bonded to one O(1) and three equivalent O(2) atoms to form a mixture of corner and edge-sharing LiO4 tetrahedra. In the fourth Li site, Li(4) is bonded in a linear geometry to two equivalent O(2) atoms. Ni(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Li(2), one Li(3), two equivalent Li(1), and one Ni(1) atom. In the second O site, O(2) is bonded to one Li(1), one Li(4), three equivalent Li(3), and one Ni(1) atom to form a mixture of distorted corner and edge-sharing OLi5Ni octahedra. The corner-sharing octahedral tilt angles range from 0-45°. In the third O site, O(3) is bonded in a 5-coordinate geometry to two equivalent Rb(1), one Li(1), three equivalent Li(2), and one Ni(1) atom. is represented by the CIF file [CIF]
data_RbLi7(NiO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.366
_cell_length_b   5.366
_cell_length_c   10.063
_cell_angle_alpha   87.703
_cell_angle_beta   87.703
_cell_angle_gamma   40.177
_symmetry_Int_Tables_number   1
_cell_volume   186.725
_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  0.000  0.000  1.0
  Li  Li1  1  0.169  0.169  0.730  1.0
  Li  Li2  1  0.731  0.731  0.900  1.0
  Li  Li3  1  0.246  0.246  0.415  1.0
  Li  Li4  1  0.754  0.754  0.585  1.0
  Li  Li5  1  0.269  0.269  0.100  1.0
  Li  Li6  1  0.831  0.831  0.270  1.0
  Li  Li7  1  0.500  0.500  0.500  1.0
  Ni  Ni8  1  0.579  0.579  0.253  1.0
  Ni  Ni9  1  0.421  0.421  0.747  1.0
  O  O10  1  0.605  0.605  0.740  1.0
  O  O11  1  0.671  0.671  0.411  1.0
  O  O12  1  0.697  0.697  0.107  1.0
  O  O13  1  0.303  0.303  0.893  1.0
  O  O14  1  0.329  0.329  0.589  1.0
  O  O15  1  0.395  0.395  0.260  1.0
[/CIF]
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