The crystal structure described by YbBaCo4O7 crystallizes in the triclinic P1 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 9-coordinate geometry to one O(1), one O(11), one O(2), one O(5), one O(6), one O(8), one O(9), and two equivalent O(12) atoms. In the second Ba site, Ba(2) is bonded in a 10-coordinate geometry to one O(10), one O(11), one O(2), one O(3), one O(4), one O(6), one O(8), one O(9), and two equivalent O(14) atoms. There are two inequivalent Yb sites. In the first Yb site, Yb(1) is bonded to one O(10), one O(14), one O(2), one O(3), one O(6), and one O(8) atom to form YbO6 octahedra that share  a cornercorner with one Co(2)O4 tetrahedra,  a cornercorner with one Co(3)O4 tetrahedra,  a cornercorner with one Co(7)O4 tetrahedra, corners with two equivalent Co(1)O4 tetrahedra, corners with two equivalent Co(5)O4 tetrahedra, corners with two equivalent Co(6)O4 tetrahedra, and corners with three equivalent Co(4)O4 tetrahedra. In the second Yb site, Yb(2) is bonded to one O(1), one O(11), one O(12), one O(4), one O(5), and one O(9) atom to form YbO6 octahedra that share  a cornercorner with one Co(1)O4 tetrahedra,  a cornercorner with one Co(5)O4 tetrahedra,  a cornercorner with one Co(6)O4 tetrahedra, corners with two equivalent Co(2)O4 tetrahedra, corners with two equivalent Co(3)O4 tetrahedra, corners with two equivalent Co(7)O4 tetrahedra, and corners with three equivalent Co(8)O4 tetrahedra. There are eight inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(5), one O(6), one O(7), and one O(8) atom to form CoO4 tetrahedra that share  a cornercorner with one Yb(2)O6 octahedra, corners with two equivalent Yb(1)O6 octahedra,  a cornercorner with one Co(4)O4 tetrahedra,  a cornercorner with one Co(8)O4 tetrahedra, corners with two equivalent Co(5)O4 tetrahedra, and corners with two equivalent Co(6)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 53-62°. In the second Co site, Co(2) is bonded to one O(11), one O(13), one O(3), and one O(4) atom to form CoO4 tetrahedra that share  a cornercorner with one Yb(1)O6 octahedra, corners with two equivalent Yb(2)O6 octahedra,  a cornercorner with one Co(4)O4 tetrahedra,  a cornercorner with one Co(8)O4 tetrahedra, corners with two equivalent Co(3)O4 tetrahedra, and corners with two equivalent Co(7)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 57-62°. In the third Co site, Co(3) is bonded to one O(11), one O(13), one O(14), and one O(9) atom to form CoO4 tetrahedra that share  a cornercorner with one Yb(1)O6 octahedra, corners with two equivalent Yb(2)O6 octahedra,  a cornercorner with one Co(4)O4 tetrahedra,  a cornercorner with one Co(8)O4 tetrahedra, corners with two equivalent Co(2)O4 tetrahedra, and corners with two equivalent Co(7)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 53-65°. In the fourth Co site, Co(4) is bonded to one O(10), one O(14), one O(3), and one O(7) atom to form CoO4 tetrahedra that share corners with three equivalent Yb(1)O6 octahedra,  a cornercorner with one Co(1)O4 tetrahedra,  a cornercorner with one Co(2)O4 tetrahedra,  a cornercorner with one Co(3)O4 tetrahedra,  a cornercorner with one Co(5)O4 tetrahedra,  a cornercorner with one Co(6)O4 tetrahedra, and  a cornercorner with one Co(7)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 49-55°. In the fifth Co site, Co(5) is bonded to one O(1), one O(2), one O(7), and one O(8) atom to form CoO4 tetrahedra that share  a cornercorner with one Yb(2)O6 octahedra, corners with two equivalent Yb(1)O6 octahedra,  a cornercorner with one Co(4)O4 tetrahedra,  a cornercorner with one Co(8)O4 tetrahedra, corners with two equivalent Co(1)O4 tetrahedra, and corners with two equivalent Co(6)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-62°. In the sixth Co site, Co(6) is bonded to one O(12), one O(2), one O(6), and one O(7) atom to form CoO4 tetrahedra that share  a cornercorner with one Yb(2)O6 octahedra, corners with two equivalent Yb(1)O6 octahedra,  a cornercorner with one Co(4)O4 tetrahedra,  a cornercorner with one Co(8)O4 tetrahedra, corners with two equivalent Co(1)O4 tetrahedra, and corners with two equivalent Co(5)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 53-62°. In the seventh Co site, Co(7) is bonded to one O(10), one O(13), one O(4), and one O(9) atom to form CoO4 tetrahedra that share  a cornercorner with one Yb(1)O6 octahedra, corners with two equivalent Yb(2)O6 octahedra,  a cornercorner with one Co(4)O4 tetrahedra,  a cornercorner with one Co(8)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 47-61°. In the eighth Co site, Co(8) is bonded to one O(1), one O(12), one O(13), and one O(5) atom to form CoO4 tetrahedra that share corners with three equivalent Yb(2)O6 octahedra,  a cornercorner with one Co(1)O4 tetrahedra,  a cornercorner with one Co(2)O4 tetrahedra,  a cornercorner with one Co(3)O4 tetrahedra,  a cornercorner with one Co(5)O4 tetrahedra,  a cornercorner with one Co(6)O4 tetrahedra, and  a cornercorner with one Co(7)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-56°. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded to one Ba(1), one Yb(2), one Co(5), and one Co(8) atom to form distorted corner-sharing OBaYbCo2 trigonal pyramids. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Ba(1), one Ba(2), one Yb(1), one Co(5), and one Co(6) atom. In the third O site, O(3) is bonded to one Ba(2), one Yb(1), one Co(2), and one Co(4) atom to form distorted corner-sharing OBaYbCo2 tetrahedra. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Ba(2), one Yb(2), one Co(2), and one Co(7) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Ba(1), one Yb(2), one Co(1), and one Co(8) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Ba(1), one Ba(2), one Yb(1), one Co(1), and one Co(6) atom. In the seventh O site, O(7) is bonded to one Co(1), one Co(4), one Co(5), and one Co(6) atom to form corner-sharing OCo4 tetrahedra. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Ba(1), one Ba(2), one Yb(1), one Co(1), and one Co(5) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Ba(1), one Ba(2), one Yb(2), one Co(3), and one Co(7) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Ba(2), one Yb(1), one Co(4), and one Co(7) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Ba(1), one Ba(2), one Yb(2), one Co(2), and one Co(3) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to two equivalent Ba(1), one Yb(2), one Co(6), and one Co(8) atom. In the thirteenth O site, O(13) is bonded to one Co(2), one Co(3), one Co(7), and one Co(8) atom to form corner-sharing OCo4 tetrahedra. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to two equivalent Ba(2), one Yb(1), one Co(3), and one Co(4) atom. is represented by the CIF file [CIF]
data_BaYbCo4O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.335
_cell_length_b   6.363
_cell_length_c   10.269
_cell_angle_alpha   90.011
_cell_angle_beta   90.319
_cell_angle_gamma   118.906
_symmetry_Int_Tables_number   1
_cell_volume   362.339
_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  0.665  0.356  0.500  1.0
  Ba  Ba1  1  0.353  0.673  0.999  1.0
  Yb  Yb2  1  0.666  0.335  0.869  1.0
  Yb  Yb3  1  0.330  0.666  0.367  1.0
  Co  Co4  1  0.185  0.336  0.681  1.0
  Co  Co5  1  0.337  0.183  0.183  1.0
  Co  Co6  1  0.841  0.663  0.183  1.0
  Co  Co7  1  0.009  0.003  0.943  1.0
  Co  Co8  1  0.163  0.810  0.686  1.0
  Co  Co9  1  0.665  0.840  0.682  1.0
  Co  Co10  1  0.813  0.160  0.183  1.0
  Co  Co11  1  0.992  0.009  0.444  1.0
  O  O12  1  0.104  0.790  0.500  1.0
  O  O13  1  0.471  0.982  0.749  1.0
  O  O14  1  0.317  0.225  0.992  1.0
  O  O15  1  0.490  0.984  0.223  1.0
  O  O16  1  0.207  0.317  0.490  1.0
  O  O17  1  0.520  0.508  0.726  1.0
  O  O18  1  0.008  0.999  0.751  1.0
  O  O19  1  0.001  0.492  0.736  1.0
  O  O20  1  0.004  0.475  0.228  1.0
  O  O21  1  0.796  0.118  0.998  1.0
  O  O22  1  0.525  0.499  0.255  1.0
  O  O23  1  0.676  0.887  0.492  1.0
  O  O24  1  0.996  0.004  0.251  1.0
  O  O25  1  0.863  0.687  0.992  1.0
[/CIF]
.
The crystal structure described by YbBaCo4O7 crystallizes in the triclinic P1 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 9-coordinate geometry to one O(1), one O(11), one O(2), one O(5), one O(6), one O(8), one O(9), and two equivalent O(12) atoms. In the second Ba site, Ba(2) is bonded in a 10-coordinate geometry to one O(10), one O(11), one O(2), one O(3), one O(4), one O(6), one O(8), one O(9), and two equivalent O(14) atoms. There are two inequivalent Yb sites. In the first Yb site, Yb(1) is bonded to one O(10), one O(14), one O(2), one O(3), one O(6), and one O(8) atom to form YbO6 octahedra that share  a cornercorner with one Co(2)O4 tetrahedra,  a cornercorner with one Co(3)O4 tetrahedra,  a cornercorner with one Co(7)O4 tetrahedra, corners with two equivalent Co(1)O4 tetrahedra, corners with two equivalent Co(5)O4 tetrahedra, corners with two equivalent Co(6)O4 tetrahedra, and corners with three equivalent Co(4)O4 tetrahedra. In the second Yb site, Yb(2) is bonded to one O(1), one O(11), one O(12), one O(4), one O(5), and one O(9) atom to form YbO6 octahedra that share  a cornercorner with one Co(1)O4 tetrahedra,  a cornercorner with one Co(5)O4 tetrahedra,  a cornercorner with one Co(6)O4 tetrahedra, corners with two equivalent Co(2)O4 tetrahedra, corners with two equivalent Co(3)O4 tetrahedra, corners with two equivalent Co(7)O4 tetrahedra, and corners with three equivalent Co(8)O4 tetrahedra. There are eight inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(5), one O(6), one O(7), and one O(8) atom to form CoO4 tetrahedra that share  a cornercorner with one Yb(2)O6 octahedra, corners with two equivalent Yb(1)O6 octahedra,  a cornercorner with one Co(4)O4 tetrahedra,  a cornercorner with one Co(8)O4 tetrahedra, corners with two equivalent Co(5)O4 tetrahedra, and corners with two equivalent Co(6)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 53-62°. In the second Co site, Co(2) is bonded to one O(11), one O(13), one O(3), and one O(4) atom to form CoO4 tetrahedra that share  a cornercorner with one Yb(1)O6 octahedra, corners with two equivalent Yb(2)O6 octahedra,  a cornercorner with one Co(4)O4 tetrahedra,  a cornercorner with one Co(8)O4 tetrahedra, corners with two equivalent Co(3)O4 tetrahedra, and corners with two equivalent Co(7)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 57-62°. In the third Co site, Co(3) is bonded to one O(11), one O(13), one O(14), and one O(9) atom to form CoO4 tetrahedra that share  a cornercorner with one Yb(1)O6 octahedra, corners with two equivalent Yb(2)O6 octahedra,  a cornercorner with one Co(4)O4 tetrahedra,  a cornercorner with one Co(8)O4 tetrahedra, corners with two equivalent Co(2)O4 tetrahedra, and corners with two equivalent Co(7)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 53-65°. In the fourth Co site, Co(4) is bonded to one O(10), one O(14), one O(3), and one O(7) atom to form CoO4 tetrahedra that share corners with three equivalent Yb(1)O6 octahedra,  a cornercorner with one Co(1)O4 tetrahedra,  a cornercorner with one Co(2)O4 tetrahedra,  a cornercorner with one Co(3)O4 tetrahedra,  a cornercorner with one Co(5)O4 tetrahedra,  a cornercorner with one Co(6)O4 tetrahedra, and  a cornercorner with one Co(7)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 49-55°. In the fifth Co site, Co(5) is bonded to one O(1), one O(2), one O(7), and one O(8) atom to form CoO4 tetrahedra that share  a cornercorner with one Yb(2)O6 octahedra, corners with two equivalent Yb(1)O6 octahedra,  a cornercorner with one Co(4)O4 tetrahedra,  a cornercorner with one Co(8)O4 tetrahedra, corners with two equivalent Co(1)O4 tetrahedra, and corners with two equivalent Co(6)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-62°. In the sixth Co site, Co(6) is bonded to one O(12), one O(2), one O(6), and one O(7) atom to form CoO4 tetrahedra that share  a cornercorner with one Yb(2)O6 octahedra, corners with two equivalent Yb(1)O6 octahedra,  a cornercorner with one Co(4)O4 tetrahedra,  a cornercorner with one Co(8)O4 tetrahedra, corners with two equivalent Co(1)O4 tetrahedra, and corners with two equivalent Co(5)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 53-62°. In the seventh Co site, Co(7) is bonded to one O(10), one O(13), one O(4), and one O(9) atom to form CoO4 tetrahedra that share  a cornercorner with one Yb(1)O6 octahedra, corners with two equivalent Yb(2)O6 octahedra,  a cornercorner with one Co(4)O4 tetrahedra,  a cornercorner with one Co(8)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 47-61°. In the eighth Co site, Co(8) is bonded to one O(1), one O(12), one O(13), and one O(5) atom to form CoO4 tetrahedra that share corners with three equivalent Yb(2)O6 octahedra,  a cornercorner with one Co(1)O4 tetrahedra,  a cornercorner with one Co(2)O4 tetrahedra,  a cornercorner with one Co(3)O4 tetrahedra,  a cornercorner with one Co(5)O4 tetrahedra,  a cornercorner with one Co(6)O4 tetrahedra, and  a cornercorner with one Co(7)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-56°. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded to one Ba(1), one Yb(2), one Co(5), and one Co(8) atom to form distorted corner-sharing OBaYbCo2 trigonal pyramids. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Ba(1), one Ba(2), one Yb(1), one Co(5), and one Co(6) atom. In the third O site, O(3) is bonded to one Ba(2), one Yb(1), one Co(2), and one Co(4) atom to form distorted corner-sharing OBaYbCo2 tetrahedra. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Ba(2), one Yb(2), one Co(2), and one Co(7) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Ba(1), one Yb(2), one Co(1), and one Co(8) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Ba(1), one Ba(2), one Yb(1), one Co(1), and one Co(6) atom. In the seventh O site, O(7) is bonded to one Co(1), one Co(4), one Co(5), and one Co(6) atom to form corner-sharing OCo4 tetrahedra. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Ba(1), one Ba(2), one Yb(1), one Co(1), and one Co(5) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Ba(1), one Ba(2), one Yb(2), one Co(3), and one Co(7) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Ba(2), one Yb(1), one Co(4), and one Co(7) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Ba(1), one Ba(2), one Yb(2), one Co(2), and one Co(3) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to two equivalent Ba(1), one Yb(2), one Co(6), and one Co(8) atom. In the thirteenth O site, O(13) is bonded to one Co(2), one Co(3), one Co(7), and one Co(8) atom to form corner-sharing OCo4 tetrahedra. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to two equivalent Ba(2), one Yb(1), one Co(3), and one Co(4) atom. is represented by the CIF file [CIF]
data_BaYbCo4O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.335
_cell_length_b   6.363
_cell_length_c   10.269
_cell_angle_alpha   90.011
_cell_angle_beta   90.319
_cell_angle_gamma   118.906
_symmetry_Int_Tables_number   1
_cell_volume   362.339
_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  0.665  0.356  0.500  1.0
  Ba  Ba1  1  0.353  0.673  0.999  1.0
  Yb  Yb2  1  0.666  0.335  0.869  1.0
  Yb  Yb3  1  0.330  0.666  0.367  1.0
  Co  Co4  1  0.185  0.336  0.681  1.0
  Co  Co5  1  0.337  0.183  0.183  1.0
  Co  Co6  1  0.841  0.663  0.183  1.0
  Co  Co7  1  0.009  0.003  0.943  1.0
  Co  Co8  1  0.163  0.810  0.686  1.0
  Co  Co9  1  0.665  0.840  0.682  1.0
  Co  Co10  1  0.813  0.160  0.183  1.0
  Co  Co11  1  0.992  0.009  0.444  1.0
  O  O12  1  0.104  0.790  0.500  1.0
  O  O13  1  0.471  0.982  0.749  1.0
  O  O14  1  0.317  0.225  0.992  1.0
  O  O15  1  0.490  0.984  0.223  1.0
  O  O16  1  0.207  0.317  0.490  1.0
  O  O17  1  0.520  0.508  0.726  1.0
  O  O18  1  0.008  0.999  0.751  1.0
  O  O19  1  0.001  0.492  0.736  1.0
  O  O20  1  0.004  0.475  0.228  1.0
  O  O21  1  0.796  0.118  0.998  1.0
  O  O22  1  0.525  0.499  0.255  1.0
  O  O23  1  0.676  0.887  0.492  1.0
  O  O24  1  0.996  0.004  0.251  1.0
  O  O25  1  0.863  0.687  0.992  1.0
[/CIF]
.