The compound described by LiBa2Eu(CuO2)4 crystallizes in the monoclinic Cm space group. Li(1) is bonded in a 4-coordinate geometry to two equivalent Cu(1), two equivalent O(2), and two equivalent O(4) atoms. Ba(1) is bonded in a 10-coordinate geometry to two equivalent O(2), two equivalent O(3), two equivalent O(4), and four equivalent O(1) atoms. Eu(1) is bonded in a 4-coordinate geometry to two equivalent O(2) and four equivalent O(4) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 6-coordinate geometry to one Li(1), one O(1), two equivalent O(2), and two equivalent O(4) atoms. In the second Cu site, Cu(2) is bonded in a square co-planar geometry to one O(1) and three equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Ba(1), one Cu(1), and one Cu(2) atom to form distorted OBa4Cu2 octahedra that share corners with four equivalent O(1)Ba4Cu2 octahedra, corners with five equivalent O(3)Ba2Cu3 trigonal bipyramids, edges with four equivalent O(1)Ba4Cu2 octahedra, and faces with two equivalent O(3)Ba2Cu3 trigonal bipyramids. The corner-sharing octahedral tilt angles are 10°. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), two equivalent Ba(1), one Eu(1), and two equivalent Cu(1) atoms. In the third O site, O(3) is bonded to two equivalent Ba(1) and three equivalent Cu(2) atoms to form distorted OBa2Cu3 trigonal bipyramids that share corners with five equivalent O(1)Ba4Cu2 octahedra, corners with four equivalent O(3)Ba2Cu3 trigonal bipyramids, edges with two equivalent O(3)Ba2Cu3 trigonal bipyramids, and faces with two equivalent O(1)Ba4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-66°. In the fourth O site, O(4) is bonded in a 7-coordinate geometry to one Li(1), two equivalent Ba(1), two equivalent Eu(1), and two equivalent Cu(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba2LiEu(CuO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.049
_cell_length_b   4.004
_cell_length_c   13.823
_cell_angle_alpha   98.327
_cell_angle_beta   90.292
_cell_angle_gamma   87.986
_symmetry_Int_Tables_number   1
_cell_volume   221.573
_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  0.487  0.351  0.724  1.0
  Ba  Ba1  1  0.487  0.626  0.276  1.0
  Li  Li2  1  0.168  0.166  0.000  1.0
  Eu  Eu3  1  0.576  0.572  0.000  1.0
  Cu  Cu4  1  0.985  0.055  0.142  1.0
  Cu  Cu5  1  0.985  0.913  0.858  1.0
  Cu  Cu6  1  0.996  0.210  0.428  1.0
  Cu  Cu7  1  0.996  0.782  0.572  1.0
  O  O8  1  0.994  0.142  0.294  1.0
  O  O9  1  0.994  0.849  0.706  1.0
  O  O10  1  0.013  0.431  0.889  1.0
  O  O11  1  0.013  0.541  0.111  1.0
  O  O12  1  0.998  0.279  0.565  1.0
  O  O13  1  0.998  0.713  0.435  1.0
  O  O14  1  0.488  0.067  0.112  1.0
  O  O15  1  0.488  0.955  0.888  1.0
[/CIF]
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The compound described by LiBa2Eu(CuO2)4 crystallizes in the monoclinic Cm space group. Li(1) is bonded in a 4-coordinate geometry to two equivalent Cu(1), two equivalent O(2), and two equivalent O(4) atoms. Ba(1) is bonded in a 10-coordinate geometry to two equivalent O(2), two equivalent O(3), two equivalent O(4), and four equivalent O(1) atoms. Eu(1) is bonded in a 4-coordinate geometry to two equivalent O(2) and four equivalent O(4) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 6-coordinate geometry to one Li(1), one O(1), two equivalent O(2), and two equivalent O(4) atoms. In the second Cu site, Cu(2) is bonded in a square co-planar geometry to one O(1) and three equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Ba(1), one Cu(1), and one Cu(2) atom to form distorted OBa4Cu2 octahedra that share corners with four equivalent O(1)Ba4Cu2 octahedra, corners with five equivalent O(3)Ba2Cu3 trigonal bipyramids, edges with four equivalent O(1)Ba4Cu2 octahedra, and faces with two equivalent O(3)Ba2Cu3 trigonal bipyramids. The corner-sharing octahedral tilt angles are 10°. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), two equivalent Ba(1), one Eu(1), and two equivalent Cu(1) atoms. In the third O site, O(3) is bonded to two equivalent Ba(1) and three equivalent Cu(2) atoms to form distorted OBa2Cu3 trigonal bipyramids that share corners with five equivalent O(1)Ba4Cu2 octahedra, corners with four equivalent O(3)Ba2Cu3 trigonal bipyramids, edges with two equivalent O(3)Ba2Cu3 trigonal bipyramids, and faces with two equivalent O(1)Ba4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-66°. In the fourth O site, O(4) is bonded in a 7-coordinate geometry to one Li(1), two equivalent Ba(1), two equivalent Eu(1), and two equivalent Cu(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba2LiEu(CuO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.049
_cell_length_b   4.004
_cell_length_c   13.823
_cell_angle_alpha   98.327
_cell_angle_beta   90.292
_cell_angle_gamma   87.986
_symmetry_Int_Tables_number   1
_cell_volume   221.573
_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  0.487  0.351  0.724  1.0
  Ba  Ba1  1  0.487  0.626  0.276  1.0
  Li  Li2  1  0.168  0.166  0.000  1.0
  Eu  Eu3  1  0.576  0.572  0.000  1.0
  Cu  Cu4  1  0.985  0.055  0.142  1.0
  Cu  Cu5  1  0.985  0.913  0.858  1.0
  Cu  Cu6  1  0.996  0.210  0.428  1.0
  Cu  Cu7  1  0.996  0.782  0.572  1.0
  O  O8  1  0.994  0.142  0.294  1.0
  O  O9  1  0.994  0.849  0.706  1.0
  O  O10  1  0.013  0.431  0.889  1.0
  O  O11  1  0.013  0.541  0.111  1.0
  O  O12  1  0.998  0.279  0.565  1.0
  O  O13  1  0.998  0.713  0.435  1.0
  O  O14  1  0.488  0.067  0.112  1.0
  O  O15  1  0.488  0.955  0.888  1.0
[/CIF]
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