The structure described by YbBaCo4O7 crystallizes in the monoclinic Cc space group. Ba(1) is bonded to two equivalent O(1), two equivalent O(2), two equivalent O(3), two equivalent O(4), two equivalent O(5), and two equivalent O(7) atoms to form distorted BaO12 cuboctahedra that share corners with twelve equivalent Ba(1)O12 cuboctahedra, edges with three equivalent Co(1)O4 tetrahedra, edges with three equivalent Co(2)O4 tetrahedra, edges with three equivalent Co(3)O4 tetrahedra, edges with three equivalent Co(4)O4 tetrahedra, and faces with four equivalent Yb(1)O6 octahedra. Yb(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(7) atom to form YbO6 octahedra that share corners with three equivalent Co(1)O4 tetrahedra, corners with three equivalent Co(2)O4 tetrahedra, corners with three equivalent Co(3)O4 tetrahedra, corners with three equivalent Co(4)O4 tetrahedra, and faces with four equivalent Ba(1)O12 cuboctahedra. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(3), one O(4), one O(5), and one O(6) atom to form CoO4 tetrahedra that share corners with three equivalent Yb(1)O6 octahedra, corners with two equivalent Co(2)O4 tetrahedra, corners with two equivalent Co(3)O4 tetrahedra, corners with two equivalent Co(4)O4 tetrahedra, and edges with three equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 50-59°. In the second Co site, Co(2) is bonded to one O(2), one O(5), one O(6), and one O(7) atom to form CoO4 tetrahedra that share corners with three equivalent Yb(1)O6 octahedra, corners with two equivalent Co(1)O4 tetrahedra, corners with two equivalent Co(3)O4 tetrahedra, corners with two equivalent Co(4)O4 tetrahedra, and edges with three equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 52-57°. In the third Co site, Co(3) is bonded to one O(1), one O(3), one O(6), and one O(7) atom to form CoO4 tetrahedra that share corners with three equivalent Yb(1)O6 octahedra, corners with two equivalent Co(1)O4 tetrahedra, corners with two equivalent Co(2)O4 tetrahedra, corners with two equivalent Co(4)O4 tetrahedra, and edges with three equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 56-59°. In the fourth Co site, Co(4) is bonded to one O(1), one O(2), one O(4), and one O(6) atom to form CoO4 tetrahedra that share corners with three equivalent Yb(1)O6 octahedra, corners with two equivalent Co(1)O4 tetrahedra, corners with two equivalent Co(2)O4 tetrahedra, corners with two equivalent Co(3)O4 tetrahedra, and edges with three equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 56-61°. There are seven inequivalent O sites. In the first O site, O(7) is bonded in a distorted trigonal planar geometry to two equivalent Ba(1), one Yb(1), one Co(2), and one Co(3) atom. In the second O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Ba(1), one Yb(1), one Co(3), and one Co(4) atom. In the third O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Ba(1), one Yb(1), one Co(2), and one Co(4) atom. In the fourth O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Ba(1), one Yb(1), one Co(1), and one Co(3) atom. In the fifth O site, O(4) is bonded in a 3-coordinate geometry to two equivalent Ba(1), one Yb(1), one Co(1), and one Co(4) atom. In the sixth O site, O(5) is bonded in a 3-coordinate geometry to two equivalent Ba(1), one Yb(1), one Co(1), and one Co(2) atom. In the seventh O site, O(6) is bonded in a tetrahedral geometry to one Co(1), one Co(2), one Co(3), and one Co(4) atom. is represented by the CIF card [CIF]
data_BaYbCo4O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.379
_cell_length_b   6.379
_cell_length_c   10.423
_cell_angle_alpha   89.958
_cell_angle_beta   89.958
_cell_angle_gamma   120.853
_symmetry_Int_Tables_number   1
_cell_volume   364.119
_cell_formula_units_Z   2
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  0.332  0.661  0.514  1.0
  Ba  Ba1  1  0.661  0.332  0.014  1.0
  Yb  Yb2  1  0.334  0.664  0.130  1.0
  Yb  Yb3  1  0.664  0.334  0.630  1.0
  Co  Co4  1  0.833  0.651  0.323  1.0
  Co  Co5  1  0.651  0.833  0.823  1.0
  Co  Co6  1  0.159  0.345  0.825  1.0
  Co  Co7  1  0.006  0.992  0.070  1.0
  Co  Co8  1  0.836  0.169  0.322  1.0
  Co  Co9  1  0.345  0.159  0.325  1.0
  Co  Co10  1  0.169  0.836  0.822  1.0
  Co  Co11  1  0.992  0.006  0.570  1.0
  O  O12  1  0.849  0.180  0.504  1.0
  O  O13  1  0.505  0.015  0.250  1.0
  O  O14  1  0.679  0.816  0.997  1.0
  O  O15  1  0.502  0.980  0.750  1.0
  O  O16  1  0.816  0.679  0.497  1.0
  O  O17  1  0.506  0.486  0.254  1.0
  O  O18  1  0.005  0.993  0.260  1.0
  O  O19  1  0.980  0.502  0.250  1.0
  O  O20  1  0.015  0.505  0.750  1.0
  O  O21  1  0.180  0.849  0.004  1.0
  O  O22  1  0.486  0.506  0.754  1.0
  O  O23  1  0.324  0.151  0.497  1.0
  O  O24  1  0.993  0.005  0.760  1.0
  O  O25  1  0.151  0.324  0.997  1.0
[/CIF]
.
The structure described by YbBaCo4O7 crystallizes in the monoclinic Cc space group. Ba(1) is bonded to two equivalent O(1), two equivalent O(2), two equivalent O(3), two equivalent O(4), two equivalent O(5), and two equivalent O(7) atoms to form distorted BaO12 cuboctahedra that share corners with twelve equivalent Ba(1)O12 cuboctahedra, edges with three equivalent Co(1)O4 tetrahedra, edges with three equivalent Co(2)O4 tetrahedra, edges with three equivalent Co(3)O4 tetrahedra, edges with three equivalent Co(4)O4 tetrahedra, and faces with four equivalent Yb(1)O6 octahedra. Yb(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(7) atom to form YbO6 octahedra that share corners with three equivalent Co(1)O4 tetrahedra, corners with three equivalent Co(2)O4 tetrahedra, corners with three equivalent Co(3)O4 tetrahedra, corners with three equivalent Co(4)O4 tetrahedra, and faces with four equivalent Ba(1)O12 cuboctahedra. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(3), one O(4), one O(5), and one O(6) atom to form CoO4 tetrahedra that share corners with three equivalent Yb(1)O6 octahedra, corners with two equivalent Co(2)O4 tetrahedra, corners with two equivalent Co(3)O4 tetrahedra, corners with two equivalent Co(4)O4 tetrahedra, and edges with three equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 50-59°. In the second Co site, Co(2) is bonded to one O(2), one O(5), one O(6), and one O(7) atom to form CoO4 tetrahedra that share corners with three equivalent Yb(1)O6 octahedra, corners with two equivalent Co(1)O4 tetrahedra, corners with two equivalent Co(3)O4 tetrahedra, corners with two equivalent Co(4)O4 tetrahedra, and edges with three equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 52-57°. In the third Co site, Co(3) is bonded to one O(1), one O(3), one O(6), and one O(7) atom to form CoO4 tetrahedra that share corners with three equivalent Yb(1)O6 octahedra, corners with two equivalent Co(1)O4 tetrahedra, corners with two equivalent Co(2)O4 tetrahedra, corners with two equivalent Co(4)O4 tetrahedra, and edges with three equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 56-59°. In the fourth Co site, Co(4) is bonded to one O(1), one O(2), one O(4), and one O(6) atom to form CoO4 tetrahedra that share corners with three equivalent Yb(1)O6 octahedra, corners with two equivalent Co(1)O4 tetrahedra, corners with two equivalent Co(2)O4 tetrahedra, corners with two equivalent Co(3)O4 tetrahedra, and edges with three equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 56-61°. There are seven inequivalent O sites. In the first O site, O(7) is bonded in a distorted trigonal planar geometry to two equivalent Ba(1), one Yb(1), one Co(2), and one Co(3) atom. In the second O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Ba(1), one Yb(1), one Co(3), and one Co(4) atom. In the third O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Ba(1), one Yb(1), one Co(2), and one Co(4) atom. In the fourth O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Ba(1), one Yb(1), one Co(1), and one Co(3) atom. In the fifth O site, O(4) is bonded in a 3-coordinate geometry to two equivalent Ba(1), one Yb(1), one Co(1), and one Co(4) atom. In the sixth O site, O(5) is bonded in a 3-coordinate geometry to two equivalent Ba(1), one Yb(1), one Co(1), and one Co(2) atom. In the seventh O site, O(6) is bonded in a tetrahedral geometry to one Co(1), one Co(2), one Co(3), and one Co(4) atom. is represented by the CIF card [CIF]
data_BaYbCo4O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.379
_cell_length_b   6.379
_cell_length_c   10.423
_cell_angle_alpha   89.958
_cell_angle_beta   89.958
_cell_angle_gamma   120.853
_symmetry_Int_Tables_number   1
_cell_volume   364.119
_cell_formula_units_Z   2
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  0.332  0.661  0.514  1.0
  Ba  Ba1  1  0.661  0.332  0.014  1.0
  Yb  Yb2  1  0.334  0.664  0.130  1.0
  Yb  Yb3  1  0.664  0.334  0.630  1.0
  Co  Co4  1  0.833  0.651  0.323  1.0
  Co  Co5  1  0.651  0.833  0.823  1.0
  Co  Co6  1  0.159  0.345  0.825  1.0
  Co  Co7  1  0.006  0.992  0.070  1.0
  Co  Co8  1  0.836  0.169  0.322  1.0
  Co  Co9  1  0.345  0.159  0.325  1.0
  Co  Co10  1  0.169  0.836  0.822  1.0
  Co  Co11  1  0.992  0.006  0.570  1.0
  O  O12  1  0.849  0.180  0.504  1.0
  O  O13  1  0.505  0.015  0.250  1.0
  O  O14  1  0.679  0.816  0.997  1.0
  O  O15  1  0.502  0.980  0.750  1.0
  O  O16  1  0.816  0.679  0.497  1.0
  O  O17  1  0.506  0.486  0.254  1.0
  O  O18  1  0.005  0.993  0.260  1.0
  O  O19  1  0.980  0.502  0.250  1.0
  O  O20  1  0.015  0.505  0.750  1.0
  O  O21  1  0.180  0.849  0.004  1.0
  O  O22  1  0.486  0.506  0.754  1.0
  O  O23  1  0.324  0.151  0.497  1.0
  O  O24  1  0.993  0.005  0.760  1.0
  O  O25  1  0.151  0.324  0.997  1.0
[/CIF]
.