The crystal structure described by LiSrNdCoO4 crystallizes in the triclinic P1 space group. Li(1) is bonded in a distorted trigonal non-coplanar geometry to one O(1), one O(3), and one O(4) atom. Sr(1) is bonded in a 6-coordinate geometry to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms. Nd(1) is bonded in a 5-coordinate geometry to one O(2), one O(3), one O(4), and two equivalent O(1) atoms. Co(1) is bonded in a 4-coordinate geometry to one O(2), one O(3), and two equivalent O(4) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Sr(1), and two equivalent Nd(1) atoms to form distorted OSrLiNd2 tetrahedra that share corners with two equivalent O(1)SrLiNd2 tetrahedra and corners with five equivalent O(3)Sr2LiNdCo trigonal bipyramids. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to two equivalent Sr(1), one Nd(1), and one Co(1) atom. In the third O site, O(3) is bonded to one Li(1), two equivalent Sr(1), one Nd(1), and one Co(1) atom to form distorted OSr2LiNdCo trigonal bipyramids that share corners with five equivalent O(1)SrLiNd2 tetrahedra and corners with two equivalent O(3)Sr2LiNdCo trigonal bipyramids. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Li(1), one Sr(1), one Nd(1), and two equivalent Co(1) atoms. is represented by the CIF card [CIF]
data_SrLiNdCoO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.072
_cell_length_b   3.784
_cell_length_c   6.941
_cell_angle_alpha   82.557
_cell_angle_beta   64.582
_cell_angle_gamma   93.282
_symmetry_Int_Tables_number   1
_cell_volume   118.367
_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  0.273  0.358  0.248  1.0
  Li  Li1  1  0.924  0.300  0.803  1.0
  Nd  Nd2  1  0.467  0.791  0.694  1.0
  Co  Co3  1  0.859  0.874  0.125  1.0
  O  O4  1  0.307  0.283  0.590  1.0
  O  O5  1  0.904  0.814  0.390  1.0
  O  O6  1  0.599  0.937  0.969  1.0
  O  O7  1  0.024  0.446  0.012  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 trigonal non-coplanar geometry to one O(1), one O(3), and one O(4) atom. Sr(1) is bonded in a 6-coordinate geometry to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms. Nd(1) is bonded in a 5-coordinate geometry to one O(2), one O(3), one O(4), and two equivalent O(1) atoms. Co(1) is bonded in a 4-coordinate geometry to one O(2), one O(3), and two equivalent O(4) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Sr(1), and two equivalent Nd(1) atoms to form distorted OSrLiNd2 tetrahedra that share corners with two equivalent O(1)SrLiNd2 tetrahedra and corners with five equivalent O(3)Sr2LiNdCo trigonal bipyramids. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to two equivalent Sr(1), one Nd(1), and one Co(1) atom. In the third O site, O(3) is bonded to one Li(1), two equivalent Sr(1), one Nd(1), and one Co(1) atom to form distorted OSr2LiNdCo trigonal bipyramids that share corners with five equivalent O(1)SrLiNd2 tetrahedra and corners with two equivalent O(3)Sr2LiNdCo trigonal bipyramids. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Li(1), one Sr(1), one Nd(1), and two equivalent Co(1) atoms. is represented by the CIF card [CIF]
data_SrLiNdCoO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.072
_cell_length_b   3.784
_cell_length_c   6.941
_cell_angle_alpha   82.557
_cell_angle_beta   64.582
_cell_angle_gamma   93.282
_symmetry_Int_Tables_number   1
_cell_volume   118.367
_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  0.273  0.358  0.248  1.0
  Li  Li1  1  0.924  0.300  0.803  1.0
  Nd  Nd2  1  0.467  0.791  0.694  1.0
  Co  Co3  1  0.859  0.874  0.125  1.0
  O  O4  1  0.307  0.283  0.590  1.0
  O  O5  1  0.904  0.814  0.390  1.0
  O  O6  1  0.599  0.937  0.969  1.0
  O  O7  1  0.024  0.446  0.012  1.0
[/CIF]
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