The crystal structure described by LiBa2SmCoCu2O7 crystallizes in the orthorhombic Pmm2 space group. Li(1) is bonded in a 2-coordinate geometry to two equivalent Ba(2), two equivalent Co(1), and two equivalent O(4) atoms. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 10-coordinate geometry to two equivalent O(1), two equivalent O(5), two equivalent O(7), and four equivalent O(3) atoms. In the second Ba site, Ba(2) is bonded in a 10-coordinate geometry to two equivalent Li(1), two equivalent O(2), two equivalent O(6), and four equivalent O(4) atoms. Sm(1) is bonded in a body-centered cubic geometry to two equivalent O(1), two equivalent O(2), two equivalent O(5), and two equivalent O(6) atoms. Co(1) is bonded in a distorted square co-planar geometry to two equivalent Li(1), one O(3), one O(4), and two equivalent O(7) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(3), two equivalent O(1), and two equivalent O(5) atoms to form distorted corner-sharing CuO5 square pyramids. In the second Cu site, Cu(2) is bonded in a rectangular see-saw-like geometry to two equivalent O(2) and two equivalent O(6) atoms. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Ba(1), two equivalent Sm(1), and two equivalent Cu(1) atoms. In the second O site, O(2) is bonded to two equivalent Ba(2), two equivalent Sm(1), and two equivalent Cu(2) atoms to form a mixture of distorted edge, face, and corner-sharing OBa2Sm2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 6-68°. In the third O site, O(3) is bonded to four equivalent Ba(1), one Co(1), and one Cu(1) atom to form distorted OBa4CoCu octahedra that share corners with four equivalent O(5)Ba2Sm2Cu2 octahedra, corners with four equivalent O(3)Ba4CoCu octahedra, edges with four equivalent O(3)Ba4CoCu octahedra, and faces with two equivalent O(5)Ba2Sm2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 11-59°. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to two equivalent Li(1), four equivalent Ba(2), and one Co(1) atom. In the fifth O site, O(5) is bonded to two equivalent Ba(1), two equivalent Sm(1), and two equivalent Cu(1) atoms to form distorted OBa2Sm2Cu2 octahedra that share corners with two equivalent O(5)Ba2Sm2Cu2 octahedra, corners with two equivalent O(6)Ba2Sm2Cu2 octahedra, corners with four equivalent O(2)Ba2Sm2Cu2 octahedra, corners with four equivalent O(3)Ba4CoCu octahedra,  an edgeedge with one O(6)Ba2Sm2Cu2 octahedra, edges with two equivalent O(5)Ba2Sm2Cu2 octahedra, and faces with two equivalent O(3)Ba4CoCu octahedra. The corner-sharing octahedral tilt angles range from 4-68°. In the sixth O site, O(6) is bonded to two equivalent Ba(2), two equivalent Sm(1), and two equivalent Cu(2) atoms to form a mixture of edge, face, and corner-sharing OBa2Sm2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 1-4°. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Ba(1) and two equivalent Co(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba2LiSmCoCu2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.867
_cell_length_b   4.035
_cell_length_c   12.600
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   196.582
_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
  Ba  Ba0  1  0.500  0.500  0.190  1.0
  Ba  Ba1  1  0.500  0.500  0.768  1.0
  Li  Li2  1  0.500  0.000  0.928  1.0
  Sm  Sm3  1  0.500  0.500  0.484  1.0
  Co  Co4  1  0.000  0.000  0.027  1.0
  Cu  Cu5  1  0.000  0.000  0.361  1.0
  Cu  Cu6  1  0.000  0.000  0.612  1.0
  O  O7  1  0.500  0.000  0.380  1.0
  O  O8  1  0.500  0.000  0.620  1.0
  O  O9  1  0.000  0.000  0.169  1.0
  O  O10  1  0.000  0.000  0.874  1.0
  O  O11  1  0.000  0.500  0.373  1.0
  O  O12  1  0.000  0.500  0.614  1.0
  O  O13  1  0.000  0.500  0.023  1.0
[/CIF]
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The crystal structure described by LiBa2SmCoCu2O7 crystallizes in the orthorhombic Pmm2 space group. Li(1) is bonded in a 2-coordinate geometry to two equivalent Ba(2), two equivalent Co(1), and two equivalent O(4) atoms. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 10-coordinate geometry to two equivalent O(1), two equivalent O(5), two equivalent O(7), and four equivalent O(3) atoms. In the second Ba site, Ba(2) is bonded in a 10-coordinate geometry to two equivalent Li(1), two equivalent O(2), two equivalent O(6), and four equivalent O(4) atoms. Sm(1) is bonded in a body-centered cubic geometry to two equivalent O(1), two equivalent O(2), two equivalent O(5), and two equivalent O(6) atoms. Co(1) is bonded in a distorted square co-planar geometry to two equivalent Li(1), one O(3), one O(4), and two equivalent O(7) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(3), two equivalent O(1), and two equivalent O(5) atoms to form distorted corner-sharing CuO5 square pyramids. In the second Cu site, Cu(2) is bonded in a rectangular see-saw-like geometry to two equivalent O(2) and two equivalent O(6) atoms. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Ba(1), two equivalent Sm(1), and two equivalent Cu(1) atoms. In the second O site, O(2) is bonded to two equivalent Ba(2), two equivalent Sm(1), and two equivalent Cu(2) atoms to form a mixture of distorted edge, face, and corner-sharing OBa2Sm2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 6-68°. In the third O site, O(3) is bonded to four equivalent Ba(1), one Co(1), and one Cu(1) atom to form distorted OBa4CoCu octahedra that share corners with four equivalent O(5)Ba2Sm2Cu2 octahedra, corners with four equivalent O(3)Ba4CoCu octahedra, edges with four equivalent O(3)Ba4CoCu octahedra, and faces with two equivalent O(5)Ba2Sm2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 11-59°. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to two equivalent Li(1), four equivalent Ba(2), and one Co(1) atom. In the fifth O site, O(5) is bonded to two equivalent Ba(1), two equivalent Sm(1), and two equivalent Cu(1) atoms to form distorted OBa2Sm2Cu2 octahedra that share corners with two equivalent O(5)Ba2Sm2Cu2 octahedra, corners with two equivalent O(6)Ba2Sm2Cu2 octahedra, corners with four equivalent O(2)Ba2Sm2Cu2 octahedra, corners with four equivalent O(3)Ba4CoCu octahedra,  an edgeedge with one O(6)Ba2Sm2Cu2 octahedra, edges with two equivalent O(5)Ba2Sm2Cu2 octahedra, and faces with two equivalent O(3)Ba4CoCu octahedra. The corner-sharing octahedral tilt angles range from 4-68°. In the sixth O site, O(6) is bonded to two equivalent Ba(2), two equivalent Sm(1), and two equivalent Cu(2) atoms to form a mixture of edge, face, and corner-sharing OBa2Sm2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 1-4°. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Ba(1) and two equivalent Co(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba2LiSmCoCu2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.867
_cell_length_b   4.035
_cell_length_c   12.600
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   196.582
_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
  Ba  Ba0  1  0.500  0.500  0.190  1.0
  Ba  Ba1  1  0.500  0.500  0.768  1.0
  Li  Li2  1  0.500  0.000  0.928  1.0
  Sm  Sm3  1  0.500  0.500  0.484  1.0
  Co  Co4  1  0.000  0.000  0.027  1.0
  Cu  Cu5  1  0.000  0.000  0.361  1.0
  Cu  Cu6  1  0.000  0.000  0.612  1.0
  O  O7  1  0.500  0.000  0.380  1.0
  O  O8  1  0.500  0.000  0.620  1.0
  O  O9  1  0.000  0.000  0.169  1.0
  O  O10  1  0.000  0.000  0.874  1.0
  O  O11  1  0.000  0.500  0.373  1.0
  O  O12  1  0.000  0.500  0.614  1.0
  O  O13  1  0.000  0.500  0.023  1.0
[/CIF]
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