The structure described by Li5CrO5 crystallizes in the monoclinic C2 space group. There are ten inequivalent Li sites. In the first Li site, Li(1) is bonded in a square co-planar geometry to one O(11), one O(4), one O(7), and one O(8) atom. In the second Li site, Li(2) is bonded in a square co-planar geometry to one O(10), one O(5), one O(6), and one O(9) atom. In the third Li site, Li(3) is bonded to one O(11), one O(3), and three equivalent O(4) atoms to form a mixture of distorted corner and edge-sharing LiO5 square pyramids. In the fourth Li site, Li(4) is bonded to one O(10), one O(2), and three equivalent O(5) atoms to form a mixture of distorted corner and edge-sharing LiO5 square pyramids. In the fifth Li site, Li(5) is bonded to one O(1), one O(7), one O(9), and two equivalent O(6) atoms to form a mixture of distorted corner and edge-sharing LiO5 square pyramids. In the sixth Li site, Li(6) is bonded to one O(1), one O(6), one O(8), and two equivalent O(7) atoms to form a mixture of distorted corner and edge-sharing LiO5 square pyramids. In the seventh Li site, Li(7) is bonded to one O(1), one O(11), one O(7), and two equivalent O(8) atoms to form a mixture of distorted corner and edge-sharing LiO5 square pyramids. In the eighth Li site, Li(8) is bonded to one O(1), one O(10), one O(6), and two equivalent O(9) atoms to form a mixture of distorted corner and edge-sharing LiO5 square pyramids. In the ninth Li site, Li(9) is bonded to one O(2), one O(5), one O(9), and two equivalent O(10) atoms to form a mixture of distorted corner and edge-sharing LiO5 square pyramids. In the tenth Li site, Li(10) is bonded to one O(3), one O(4), one O(8), and two equivalent O(11) atoms to form a mixture of distorted corner and edge-sharing LiO5 square pyramids. There are three inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a 6-coordinate geometry to one O(6), one O(7), one O(8), one O(9), and two equivalent O(1) atoms. In the second Cr site, Cr(2) is bonded in a 6-coordinate geometry to two equivalent O(10), two equivalent O(2), and two equivalent O(5) atoms. In the third Cr site, Cr(3) is bonded in a 6-coordinate geometry to two equivalent O(11), two equivalent O(3), and two equivalent O(4) atoms. There are eleven inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to one Li(5), one Li(6), one Li(7), one Li(8), and two equivalent Cr(1) atoms. In the second O site, O(2) is bonded in a 6-coordinate geometry to two equivalent Li(4), two equivalent Li(9), and two equivalent Cr(2) atoms. In the third O site, O(3) is bonded in a 6-coordinate geometry to two equivalent Li(10), two equivalent Li(3), and two equivalent Cr(3) atoms. In the fourth O site, O(4) is bonded to one Li(1), one Li(10), three equivalent Li(3), and one Cr(3) atom to form a mixture of corner and edge-sharing OLi5Cr octahedra. The corner-sharing octahedral tilt angles range from 2-25°. In the fifth O site, O(5) is bonded to one Li(2), one Li(9), three equivalent Li(4), and one Cr(2) atom to form a mixture of corner and edge-sharing OLi5Cr octahedra. The corner-sharing octahedral tilt angles range from 1-25°. In the sixth O site, O(6) is bonded to one Li(2), one Li(6), one Li(8), two equivalent Li(5), and one Cr(1) atom to form a mixture of corner and edge-sharing OLi5Cr octahedra. The corner-sharing octahedral tilt angles range from 1-25°. In the seventh O site, O(7) is bonded to one Li(1), one Li(5), one Li(7), two equivalent Li(6), and one Cr(1) atom to form a mixture of corner and edge-sharing OLi5Cr octahedra. The corner-sharing octahedral tilt angles range from 2-25°. In the eighth O site, O(8) is bonded to one Li(1), one Li(10), one Li(6), two equivalent Li(7), and one Cr(1) atom to form a mixture of corner and edge-sharing OLi5Cr octahedra. The corner-sharing octahedral tilt angles range from 2-27°. In the ninth O site, O(9) is bonded to one Li(2), one Li(5), one Li(9), two equivalent Li(8), and one Cr(1) atom to form a mixture of corner and edge-sharing OLi5Cr octahedra. The corner-sharing octahedral tilt angles range from 2-27°. In the tenth O site, O(10) is bonded to one Li(2), one Li(4), one Li(8), two equivalent Li(9), and one Cr(2) atom to form a mixture of corner and edge-sharing OLi5Cr octahedra. The corner-sharing octahedral tilt angles range from 2-27°. In the eleventh O site, O(11) is bonded to one Li(1), one Li(3), one Li(7), two equivalent Li(10), and one Cr(3) atom to form a mixture of corner and edge-sharing OLi5Cr octahedra. The corner-sharing octahedral tilt angles range from 2-27°. is represented by the CIF file [CIF]
data_Li5CrO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.106
_cell_length_b   5.138
_cell_length_c   5.675
_cell_angle_alpha   107.147
_cell_angle_beta   90.002
_cell_angle_gamma   113.547
_symmetry_Int_Tables_number   1
_cell_volume   103.901
_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
  Cr  Cr0  1  0.065  0.989  0.014  1.0
  Li  Li1  1  0.977  0.989  0.514  1.0
  Li  Li2  1  0.686  0.370  0.876  1.0
  Li  Li3  1  0.305  0.608  0.153  1.0
  Li  Li4  1  0.707  0.407  0.352  1.0
  Li  Li5  1  0.289  0.571  0.676  1.0
  O  O6  1  0.474  0.989  0.014  1.0
  O  O7  1  0.123  0.268  0.848  1.0
  O  O8  1  0.843  0.709  0.181  1.0
  O  O9  1  0.139  0.295  0.323  1.0
  O  O10  1  0.833  0.682  0.706  1.0
[/CIF]
.
The structure described by Li5CrO5 crystallizes in the monoclinic C2 space group. There are ten inequivalent Li sites. In the first Li site, Li(1) is bonded in a square co-planar geometry to one O(11), one O(4), one O(7), and one O(8) atom. In the second Li site, Li(2) is bonded in a square co-planar geometry to one O(10), one O(5), one O(6), and one O(9) atom. In the third Li site, Li(3) is bonded to one O(11), one O(3), and three equivalent O(4) atoms to form a mixture of distorted corner and edge-sharing LiO5 square pyramids. In the fourth Li site, Li(4) is bonded to one O(10), one O(2), and three equivalent O(5) atoms to form a mixture of distorted corner and edge-sharing LiO5 square pyramids. In the fifth Li site, Li(5) is bonded to one O(1), one O(7), one O(9), and two equivalent O(6) atoms to form a mixture of distorted corner and edge-sharing LiO5 square pyramids. In the sixth Li site, Li(6) is bonded to one O(1), one O(6), one O(8), and two equivalent O(7) atoms to form a mixture of distorted corner and edge-sharing LiO5 square pyramids. In the seventh Li site, Li(7) is bonded to one O(1), one O(11), one O(7), and two equivalent O(8) atoms to form a mixture of distorted corner and edge-sharing LiO5 square pyramids. In the eighth Li site, Li(8) is bonded to one O(1), one O(10), one O(6), and two equivalent O(9) atoms to form a mixture of distorted corner and edge-sharing LiO5 square pyramids. In the ninth Li site, Li(9) is bonded to one O(2), one O(5), one O(9), and two equivalent O(10) atoms to form a mixture of distorted corner and edge-sharing LiO5 square pyramids. In the tenth Li site, Li(10) is bonded to one O(3), one O(4), one O(8), and two equivalent O(11) atoms to form a mixture of distorted corner and edge-sharing LiO5 square pyramids. There are three inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a 6-coordinate geometry to one O(6), one O(7), one O(8), one O(9), and two equivalent O(1) atoms. In the second Cr site, Cr(2) is bonded in a 6-coordinate geometry to two equivalent O(10), two equivalent O(2), and two equivalent O(5) atoms. In the third Cr site, Cr(3) is bonded in a 6-coordinate geometry to two equivalent O(11), two equivalent O(3), and two equivalent O(4) atoms. There are eleven inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to one Li(5), one Li(6), one Li(7), one Li(8), and two equivalent Cr(1) atoms. In the second O site, O(2) is bonded in a 6-coordinate geometry to two equivalent Li(4), two equivalent Li(9), and two equivalent Cr(2) atoms. In the third O site, O(3) is bonded in a 6-coordinate geometry to two equivalent Li(10), two equivalent Li(3), and two equivalent Cr(3) atoms. In the fourth O site, O(4) is bonded to one Li(1), one Li(10), three equivalent Li(3), and one Cr(3) atom to form a mixture of corner and edge-sharing OLi5Cr octahedra. The corner-sharing octahedral tilt angles range from 2-25°. In the fifth O site, O(5) is bonded to one Li(2), one Li(9), three equivalent Li(4), and one Cr(2) atom to form a mixture of corner and edge-sharing OLi5Cr octahedra. The corner-sharing octahedral tilt angles range from 1-25°. In the sixth O site, O(6) is bonded to one Li(2), one Li(6), one Li(8), two equivalent Li(5), and one Cr(1) atom to form a mixture of corner and edge-sharing OLi5Cr octahedra. The corner-sharing octahedral tilt angles range from 1-25°. In the seventh O site, O(7) is bonded to one Li(1), one Li(5), one Li(7), two equivalent Li(6), and one Cr(1) atom to form a mixture of corner and edge-sharing OLi5Cr octahedra. The corner-sharing octahedral tilt angles range from 2-25°. In the eighth O site, O(8) is bonded to one Li(1), one Li(10), one Li(6), two equivalent Li(7), and one Cr(1) atom to form a mixture of corner and edge-sharing OLi5Cr octahedra. The corner-sharing octahedral tilt angles range from 2-27°. In the ninth O site, O(9) is bonded to one Li(2), one Li(5), one Li(9), two equivalent Li(8), and one Cr(1) atom to form a mixture of corner and edge-sharing OLi5Cr octahedra. The corner-sharing octahedral tilt angles range from 2-27°. In the tenth O site, O(10) is bonded to one Li(2), one Li(4), one Li(8), two equivalent Li(9), and one Cr(2) atom to form a mixture of corner and edge-sharing OLi5Cr octahedra. The corner-sharing octahedral tilt angles range from 2-27°. In the eleventh O site, O(11) is bonded to one Li(1), one Li(3), one Li(7), two equivalent Li(10), and one Cr(3) atom to form a mixture of corner and edge-sharing OLi5Cr octahedra. The corner-sharing octahedral tilt angles range from 2-27°. is represented by the CIF file [CIF]
data_Li5CrO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.106
_cell_length_b   5.138
_cell_length_c   5.675
_cell_angle_alpha   107.147
_cell_angle_beta   90.002
_cell_angle_gamma   113.547
_symmetry_Int_Tables_number   1
_cell_volume   103.901
_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
  Cr  Cr0  1  0.065  0.989  0.014  1.0
  Li  Li1  1  0.977  0.989  0.514  1.0
  Li  Li2  1  0.686  0.370  0.876  1.0
  Li  Li3  1  0.305  0.608  0.153  1.0
  Li  Li4  1  0.707  0.407  0.352  1.0
  Li  Li5  1  0.289  0.571  0.676  1.0
  O  O6  1  0.474  0.989  0.014  1.0
  O  O7  1  0.123  0.268  0.848  1.0
  O  O8  1  0.843  0.709  0.181  1.0
  O  O9  1  0.139  0.295  0.323  1.0
  O  O10  1  0.833  0.682  0.706  1.0
[/CIF]
.