The crystal structure described by YbBaCo4O7 crystallizes in the orthorhombic Pna2_1 space group. Ba(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. Yb(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) 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, and corners with three equivalent Co(4)O4 tetrahedra. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(2), 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(2)O4 tetrahedra, corners with two equivalent Co(3)O4 tetrahedra, and corners with two equivalent Co(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 58-65°. In the second Co site, Co(2) is bonded to one O(1), one O(4), one O(5), 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, and corners with two equivalent Co(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 53-60°. In the third Co site, Co(3) is bonded to one O(3), 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(2)O4 tetrahedra, and corners with two equivalent Co(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-58°. In the fourth Co site, Co(4) is bonded to one O(2), one O(3), one O(4), 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, and corners with two equivalent Co(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 58-60°. There are seven inequivalent O sites. In the first O site, O(5) is bonded in a 4-coordinate geometry to one Ba(1), one Yb(1), one Co(2), and one Co(3) atom. In the second O site, O(6) is bonded to one Ba(1), one Yb(1), one Co(1), and one Co(3) atom to form distorted corner-sharing OBaYbCo2 tetrahedra. In the third O site, O(7) is bonded to one Co(1), one Co(2), one Co(3), and one Co(4) atom to form corner-sharing OCo4 tetrahedra. In the fourth O site, O(1) is bonded in a 3-coordinate geometry to one Ba(1), one Yb(1), one Co(1), and one Co(2) atom. In the fifth O site, O(2) is bonded in a 4-coordinate geometry to one Ba(1), one Yb(1), one Co(1), and one Co(4) atom. In the sixth O site, O(3) is bonded in a 3-coordinate geometry to one Ba(1), one Yb(1), one Co(3), and one Co(4) atom. In the seventh O site, O(4) is bonded in a 4-coordinate geometry to one Ba(1), one Yb(1), one Co(2), 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   6.334
_cell_length_b   10.310
_cell_length_c   11.124
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   726.405
_cell_formula_units_Z   4
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  0.497  0.007  0.173  1.0
  Ba  Ba1  1  0.003  0.007  0.673  1.0
  Ba  Ba2  1  0.997  0.507  0.327  1.0
  Ba  Ba3  1  0.503  0.507  0.827  1.0
  Yb  Yb4  1  0.990  0.372  0.671  1.0
  Yb  Yb5  1  0.510  0.372  0.171  1.0
  Yb  Yb6  1  0.490  0.872  0.829  1.0
  Yb  Yb7  1  0.010  0.872  0.329  1.0
  Co  Co8  1  0.999  0.185  0.171  1.0
  Co  Co9  1  0.267  0.193  0.914  1.0
  Co  Co10  1  0.997  0.945  0.000  1.0
  Co  Co11  1  0.767  0.693  0.586  1.0
  Co  Co12  1  0.233  0.193  0.414  1.0
  Co  Co13  1  0.497  0.445  0.500  1.0
  Co  Co14  1  0.503  0.945  0.500  1.0
  Co  Co15  1  0.748  0.180  0.417  1.0
  Co  Co16  1  0.003  0.445  1.000  1.0
  Co  Co17  1  0.499  0.685  0.329  1.0
  Co  Co18  1  0.252  0.680  0.583  1.0
  Co  Co19  1  0.501  0.185  0.671  1.0
  Co  Co20  1  0.752  0.180  0.917  1.0
  Co  Co21  1  0.733  0.693  0.086  1.0
  Co  Co22  1  0.248  0.680  0.083  1.0
  Co  Co23  1  0.001  0.685  0.829  1.0
  O  O24  1  0.230  0.267  0.265  1.0
  O  O25  1  0.232  0.717  0.252  1.0
  O  O26  1  0.730  0.767  0.235  1.0
  O  O27  1  0.246  0.491  0.569  1.0
  O  O28  1  0.268  0.717  0.752  1.0
  O  O29  1  0.732  0.217  0.248  1.0
  O  O30  1  0.997  0.729  0.490  1.0
  O  O31  1  0.503  0.729  0.990  1.0
  O  O32  1  0.279  0.007  0.400  1.0
  O  O33  1  0.270  0.267  0.765  1.0
  O  O34  1  0.063  0.998  0.154  1.0
  O  O35  1  0.437  0.998  0.654  1.0
  O  O36  1  0.491  0.255  0.501  1.0
  O  O37  1  0.009  0.255  0.001  1.0
  O  O38  1  0.221  0.007  0.900  1.0
  O  O39  1  0.770  0.767  0.735  1.0
  O  O40  1  0.497  0.229  0.010  1.0
  O  O41  1  0.779  0.507  0.100  1.0
  O  O42  1  0.509  0.755  0.499  1.0
  O  O43  1  0.768  0.217  0.748  1.0
  O  O44  1  0.991  0.755  0.999  1.0
  O  O45  1  0.003  0.229  0.510  1.0
  O  O46  1  0.721  0.507  0.600  1.0
  O  O47  1  0.937  0.498  0.846  1.0
  O  O48  1  0.563  0.498  0.346  1.0
  O  O49  1  0.746  0.991  0.931  1.0
  O  O50  1  0.254  0.491  0.069  1.0
  O  O51  1  0.754  0.991  0.431  1.0
[/CIF]
.
The crystal structure described by YbBaCo4O7 crystallizes in the orthorhombic Pna2_1 space group. Ba(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. Yb(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) 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, and corners with three equivalent Co(4)O4 tetrahedra. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(2), 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(2)O4 tetrahedra, corners with two equivalent Co(3)O4 tetrahedra, and corners with two equivalent Co(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 58-65°. In the second Co site, Co(2) is bonded to one O(1), one O(4), one O(5), 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, and corners with two equivalent Co(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 53-60°. In the third Co site, Co(3) is bonded to one O(3), 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(2)O4 tetrahedra, and corners with two equivalent Co(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-58°. In the fourth Co site, Co(4) is bonded to one O(2), one O(3), one O(4), 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, and corners with two equivalent Co(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 58-60°. There are seven inequivalent O sites. In the first O site, O(5) is bonded in a 4-coordinate geometry to one Ba(1), one Yb(1), one Co(2), and one Co(3) atom. In the second O site, O(6) is bonded to one Ba(1), one Yb(1), one Co(1), and one Co(3) atom to form distorted corner-sharing OBaYbCo2 tetrahedra. In the third O site, O(7) is bonded to one Co(1), one Co(2), one Co(3), and one Co(4) atom to form corner-sharing OCo4 tetrahedra. In the fourth O site, O(1) is bonded in a 3-coordinate geometry to one Ba(1), one Yb(1), one Co(1), and one Co(2) atom. In the fifth O site, O(2) is bonded in a 4-coordinate geometry to one Ba(1), one Yb(1), one Co(1), and one Co(4) atom. In the sixth O site, O(3) is bonded in a 3-coordinate geometry to one Ba(1), one Yb(1), one Co(3), and one Co(4) atom. In the seventh O site, O(4) is bonded in a 4-coordinate geometry to one Ba(1), one Yb(1), one Co(2), 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   6.334
_cell_length_b   10.310
_cell_length_c   11.124
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   726.405
_cell_formula_units_Z   4
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  0.497  0.007  0.173  1.0
  Ba  Ba1  1  0.003  0.007  0.673  1.0
  Ba  Ba2  1  0.997  0.507  0.327  1.0
  Ba  Ba3  1  0.503  0.507  0.827  1.0
  Yb  Yb4  1  0.990  0.372  0.671  1.0
  Yb  Yb5  1  0.510  0.372  0.171  1.0
  Yb  Yb6  1  0.490  0.872  0.829  1.0
  Yb  Yb7  1  0.010  0.872  0.329  1.0
  Co  Co8  1  0.999  0.185  0.171  1.0
  Co  Co9  1  0.267  0.193  0.914  1.0
  Co  Co10  1  0.997  0.945  0.000  1.0
  Co  Co11  1  0.767  0.693  0.586  1.0
  Co  Co12  1  0.233  0.193  0.414  1.0
  Co  Co13  1  0.497  0.445  0.500  1.0
  Co  Co14  1  0.503  0.945  0.500  1.0
  Co  Co15  1  0.748  0.180  0.417  1.0
  Co  Co16  1  0.003  0.445  1.000  1.0
  Co  Co17  1  0.499  0.685  0.329  1.0
  Co  Co18  1  0.252  0.680  0.583  1.0
  Co  Co19  1  0.501  0.185  0.671  1.0
  Co  Co20  1  0.752  0.180  0.917  1.0
  Co  Co21  1  0.733  0.693  0.086  1.0
  Co  Co22  1  0.248  0.680  0.083  1.0
  Co  Co23  1  0.001  0.685  0.829  1.0
  O  O24  1  0.230  0.267  0.265  1.0
  O  O25  1  0.232  0.717  0.252  1.0
  O  O26  1  0.730  0.767  0.235  1.0
  O  O27  1  0.246  0.491  0.569  1.0
  O  O28  1  0.268  0.717  0.752  1.0
  O  O29  1  0.732  0.217  0.248  1.0
  O  O30  1  0.997  0.729  0.490  1.0
  O  O31  1  0.503  0.729  0.990  1.0
  O  O32  1  0.279  0.007  0.400  1.0
  O  O33  1  0.270  0.267  0.765  1.0
  O  O34  1  0.063  0.998  0.154  1.0
  O  O35  1  0.437  0.998  0.654  1.0
  O  O36  1  0.491  0.255  0.501  1.0
  O  O37  1  0.009  0.255  0.001  1.0
  O  O38  1  0.221  0.007  0.900  1.0
  O  O39  1  0.770  0.767  0.735  1.0
  O  O40  1  0.497  0.229  0.010  1.0
  O  O41  1  0.779  0.507  0.100  1.0
  O  O42  1  0.509  0.755  0.499  1.0
  O  O43  1  0.768  0.217  0.748  1.0
  O  O44  1  0.991  0.755  0.999  1.0
  O  O45  1  0.003  0.229  0.510  1.0
  O  O46  1  0.721  0.507  0.600  1.0
  O  O47  1  0.937  0.498  0.846  1.0
  O  O48  1  0.563  0.498  0.346  1.0
  O  O49  1  0.746  0.991  0.931  1.0
  O  O50  1  0.254  0.491  0.069  1.0
  O  O51  1  0.754  0.991  0.431  1.0
[/CIF]
.