The compound described by LiSrNdCoO4 crystallizes in the triclinic P1 space group. Li(1) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(2) atoms. Sr(1) is bonded in a 6-coordinate geometry to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. Nd(1) is bonded to one O(2), two equivalent O(1), and two equivalent O(4) atoms to form distorted NdO5 trigonal bipyramids that share corners with two equivalent Co(1)O5 trigonal bipyramids, corners with four equivalent Nd(1)O5 trigonal bipyramids, and edges with two equivalent Co(1)O5 trigonal bipyramids. 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 two equivalent Nd(1)O5 trigonal bipyramids, corners with four equivalent Co(1)O5 trigonal bipyramids, and edges with two equivalent Nd(1)O5 trigonal bipyramids. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to two equivalent Li(1), two equivalent Nd(1), and one Co(1) atom. In the second O site, O(2) is bonded to two equivalent Li(1), two equivalent Sr(1), and one Nd(1) atom to form distorted OSr2Li2Nd trigonal bipyramids that share corners with four equivalent O(4)Sr2Nd2Co2 octahedra, corners with four equivalent O(2)Sr2Li2Nd trigonal bipyramids, and  an edgeedge with one O(4)Sr2Nd2Co2 octahedra. The corner-sharing octahedral tilt angles range from 5-81°. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Sr(1) and two equivalent Co(1) atoms. In the fourth O site, O(4) is bonded to two equivalent Sr(1), two equivalent Nd(1), and two equivalent Co(1) atoms to form distorted OSr2Nd2Co2 octahedra that share corners with two equivalent O(4)Sr2Nd2Co2 octahedra, corners with four equivalent O(2)Sr2Li2Nd trigonal bipyramids, edges with two equivalent O(4)Sr2Nd2Co2 octahedra, and  an edgeedge with one O(2)Sr2Li2Nd trigonal bipyramid. The corner-sharing octahedral tilt angles are 12°. is represented by the CIF file [CIF]
data_SrLiNdCoO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.831
_cell_length_b   4.167
_cell_length_c   7.697
_cell_angle_alpha   89.464
_cell_angle_beta   68.419
_cell_angle_gamma   90.123
_symmetry_Int_Tables_number   1
_cell_volume   114.237
_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  0.363  0.591  0.228  1.0
  Li  Li1  1  0.594  0.097  0.502  1.0
  Nd  Nd2  1  0.785  0.592  0.734  1.0
  Co  Co3  1  0.080  0.092  0.956  1.0
  O  O4  1  0.062  0.095  0.652  1.0
  O  O5  1  0.709  0.594  0.443  1.0
  O  O6  1  0.519  0.094  0.041  1.0
  O  O7  1  0.139  0.595  0.936  1.0
[/CIF]
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The compound described by LiSrNdCoO4 crystallizes in the triclinic P1 space group. Li(1) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(2) atoms. Sr(1) is bonded in a 6-coordinate geometry to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. Nd(1) is bonded to one O(2), two equivalent O(1), and two equivalent O(4) atoms to form distorted NdO5 trigonal bipyramids that share corners with two equivalent Co(1)O5 trigonal bipyramids, corners with four equivalent Nd(1)O5 trigonal bipyramids, and edges with two equivalent Co(1)O5 trigonal bipyramids. 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 two equivalent Nd(1)O5 trigonal bipyramids, corners with four equivalent Co(1)O5 trigonal bipyramids, and edges with two equivalent Nd(1)O5 trigonal bipyramids. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to two equivalent Li(1), two equivalent Nd(1), and one Co(1) atom. In the second O site, O(2) is bonded to two equivalent Li(1), two equivalent Sr(1), and one Nd(1) atom to form distorted OSr2Li2Nd trigonal bipyramids that share corners with four equivalent O(4)Sr2Nd2Co2 octahedra, corners with four equivalent O(2)Sr2Li2Nd trigonal bipyramids, and  an edgeedge with one O(4)Sr2Nd2Co2 octahedra. The corner-sharing octahedral tilt angles range from 5-81°. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Sr(1) and two equivalent Co(1) atoms. In the fourth O site, O(4) is bonded to two equivalent Sr(1), two equivalent Nd(1), and two equivalent Co(1) atoms to form distorted OSr2Nd2Co2 octahedra that share corners with two equivalent O(4)Sr2Nd2Co2 octahedra, corners with four equivalent O(2)Sr2Li2Nd trigonal bipyramids, edges with two equivalent O(4)Sr2Nd2Co2 octahedra, and  an edgeedge with one O(2)Sr2Li2Nd trigonal bipyramid. The corner-sharing octahedral tilt angles are 12°. is represented by the CIF file [CIF]
data_SrLiNdCoO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.831
_cell_length_b   4.167
_cell_length_c   7.697
_cell_angle_alpha   89.464
_cell_angle_beta   68.419
_cell_angle_gamma   90.123
_symmetry_Int_Tables_number   1
_cell_volume   114.237
_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  0.363  0.591  0.228  1.0
  Li  Li1  1  0.594  0.097  0.502  1.0
  Nd  Nd2  1  0.785  0.592  0.734  1.0
  Co  Co3  1  0.080  0.092  0.956  1.0
  O  O4  1  0.062  0.095  0.652  1.0
  O  O5  1  0.709  0.594  0.443  1.0
  O  O6  1  0.519  0.094  0.041  1.0
  O  O7  1  0.139  0.595  0.936  1.0
[/CIF]
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