The crystal structure described by LiSrNdCoO4 crystallizes in the triclinic P1 space group. Li(1) is bonded in a distorted see-saw-like geometry to two equivalent O(3) and two equivalent O(4) atoms. Sr(1) is bonded to one O(1), two equivalent O(4), and four equivalent O(2) atoms to form distorted SrO7 pentagonal bipyramids that share corners with four equivalent Sr(1)O7 pentagonal bipyramids, corners with three equivalent Co(1)O5 trigonal bipyramids, edges with two equivalent Sr(1)O7 pentagonal bipyramids,  an edgeedge with one Co(1)O5 trigonal bipyramid, and faces with two equivalent Sr(1)O7 pentagonal bipyramids. Nd(1) is bonded in a 7-coordinate geometry to one O(2), two equivalent O(3), and four equivalent O(1) atoms. Co(1) is bonded to one O(1), two equivalent O(3), and two equivalent O(4) atoms to form distorted CoO5 trigonal bipyramids that share corners with three equivalent Sr(1)O7 pentagonal bipyramids, corners with four equivalent Co(1)O5 trigonal bipyramids, and  an edgeedge with one Sr(1)O7 pentagonal bipyramid. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Sr(1), four equivalent Nd(1), and one Co(1) atom to form OSrNd4Co octahedra that share corners with four equivalent O(3)Li2Nd2Co2 octahedra, corners with four equivalent O(4)Sr2Li2Co2 octahedra, corners with four equivalent O(1)SrNd4Co octahedra, edges with four equivalent O(1)SrNd4Co octahedra, and faces with two equivalent O(3)Li2Nd2Co2 octahedra. The corner-sharing octahedral tilt angles range from 8-64°. In the second O site, O(2) is bonded in a 5-coordinate geometry to four equivalent Sr(1) and one Nd(1) atom. In the third O site, O(3) is bonded to two equivalent Li(1), two equivalent Nd(1), and two equivalent Co(1) atoms to form distorted OLi2Nd2Co2 octahedra that share corners with two equivalent O(3)Li2Nd2Co2 octahedra, corners with four equivalent O(1)SrNd4Co octahedra, edges with two equivalent O(3)Li2Nd2Co2 octahedra, edges with four equivalent O(4)Sr2Li2Co2 octahedra, and faces with two equivalent O(1)SrNd4Co octahedra. The corner-sharing octahedral tilt angles range from 20-64°. In the fourth O site, O(4) is bonded to two equivalent Li(1), two equivalent Sr(1), and two equivalent Co(1) atoms to form distorted OSr2Li2Co2 octahedra that share corners with two equivalent O(4)Sr2Li2Co2 octahedra, corners with four equivalent O(1)SrNd4Co octahedra, edges with two equivalent O(4)Sr2Li2Co2 octahedra, and edges with four equivalent O(3)Li2Nd2Co2 octahedra. The corner-sharing octahedral tilt angles range from 12-56°. is represented by the Crystallographic Information File (CIF) [CIF]
data_SrLiNdCoO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.881
_cell_length_b   3.377
_cell_length_c   8.193
_cell_angle_alpha   90.188
_cell_angle_beta   89.427
_cell_angle_gamma   89.712
_symmetry_Int_Tables_number   1
_cell_volume   107.366
_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
  Sr  Sr0  1  0.152  0.150  0.350  1.0
  Li  Li1  1  0.649  0.645  0.077  1.0
  Nd  Nd2  1  0.634  0.642  0.689  1.0
  Co  Co3  1  0.137  0.142  0.954  1.0
  O  O4  1  0.153  0.163  0.668  1.0
  O  O5  1  0.651  0.654  0.415  1.0
  O  O6  1  0.650  0.138  0.912  1.0
  O  O7  1  0.153  0.644  0.102  1.0
[/CIF]
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The crystal structure described by LiSrNdCoO4 crystallizes in the triclinic P1 space group. Li(1) is bonded in a distorted see-saw-like geometry to two equivalent O(3) and two equivalent O(4) atoms. Sr(1) is bonded to one O(1), two equivalent O(4), and four equivalent O(2) atoms to form distorted SrO7 pentagonal bipyramids that share corners with four equivalent Sr(1)O7 pentagonal bipyramids, corners with three equivalent Co(1)O5 trigonal bipyramids, edges with two equivalent Sr(1)O7 pentagonal bipyramids,  an edgeedge with one Co(1)O5 trigonal bipyramid, and faces with two equivalent Sr(1)O7 pentagonal bipyramids. Nd(1) is bonded in a 7-coordinate geometry to one O(2), two equivalent O(3), and four equivalent O(1) atoms. Co(1) is bonded to one O(1), two equivalent O(3), and two equivalent O(4) atoms to form distorted CoO5 trigonal bipyramids that share corners with three equivalent Sr(1)O7 pentagonal bipyramids, corners with four equivalent Co(1)O5 trigonal bipyramids, and  an edgeedge with one Sr(1)O7 pentagonal bipyramid. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Sr(1), four equivalent Nd(1), and one Co(1) atom to form OSrNd4Co octahedra that share corners with four equivalent O(3)Li2Nd2Co2 octahedra, corners with four equivalent O(4)Sr2Li2Co2 octahedra, corners with four equivalent O(1)SrNd4Co octahedra, edges with four equivalent O(1)SrNd4Co octahedra, and faces with two equivalent O(3)Li2Nd2Co2 octahedra. The corner-sharing octahedral tilt angles range from 8-64°. In the second O site, O(2) is bonded in a 5-coordinate geometry to four equivalent Sr(1) and one Nd(1) atom. In the third O site, O(3) is bonded to two equivalent Li(1), two equivalent Nd(1), and two equivalent Co(1) atoms to form distorted OLi2Nd2Co2 octahedra that share corners with two equivalent O(3)Li2Nd2Co2 octahedra, corners with four equivalent O(1)SrNd4Co octahedra, edges with two equivalent O(3)Li2Nd2Co2 octahedra, edges with four equivalent O(4)Sr2Li2Co2 octahedra, and faces with two equivalent O(1)SrNd4Co octahedra. The corner-sharing octahedral tilt angles range from 20-64°. In the fourth O site, O(4) is bonded to two equivalent Li(1), two equivalent Sr(1), and two equivalent Co(1) atoms to form distorted OSr2Li2Co2 octahedra that share corners with two equivalent O(4)Sr2Li2Co2 octahedra, corners with four equivalent O(1)SrNd4Co octahedra, edges with two equivalent O(4)Sr2Li2Co2 octahedra, and edges with four equivalent O(3)Li2Nd2Co2 octahedra. The corner-sharing octahedral tilt angles range from 12-56°. is represented by the Crystallographic Information File (CIF) [CIF]
data_SrLiNdCoO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.881
_cell_length_b   3.377
_cell_length_c   8.193
_cell_angle_alpha   90.188
_cell_angle_beta   89.427
_cell_angle_gamma   89.712
_symmetry_Int_Tables_number   1
_cell_volume   107.366
_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
  Sr  Sr0  1  0.152  0.150  0.350  1.0
  Li  Li1  1  0.649  0.645  0.077  1.0
  Nd  Nd2  1  0.634  0.642  0.689  1.0
  Co  Co3  1  0.137  0.142  0.954  1.0
  O  O4  1  0.153  0.163  0.668  1.0
  O  O5  1  0.651  0.654  0.415  1.0
  O  O6  1  0.650  0.138  0.912  1.0
  O  O7  1  0.153  0.644  0.102  1.0
[/CIF]
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