The material described by YBaMnCoO5 crystallizes in the triclinic P1 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to one O(10), one O(3), one O(4), one O(5), one O(6), one O(7), one O(8), one O(9), two equivalent O(1), and two equivalent O(2) atoms to form distorted BaO12 cuboctahedra that share corners with four equivalent Ba(1)O12 cuboctahedra, faces with four equivalent Ba(2)O12 cuboctahedra, faces with two equivalent Mn(1)O5 square pyramids, faces with two equivalent Mn(2)O5 square pyramids, faces with two equivalent Co(2)O5 square pyramids, and faces with two equivalent Co(1)O5 trigonal bipyramids. In the second Ba site, Ba(2) is bonded to one O(10), one O(3), one O(4), one O(5), one O(6), one O(7), one O(8), one O(9), two equivalent O(1), and two equivalent O(2) atoms to form distorted BaO12 cuboctahedra that share corners with four equivalent Ba(2)O12 cuboctahedra, faces with four equivalent Ba(1)O12 cuboctahedra, faces with two equivalent Mn(1)O5 square pyramids, faces with two equivalent Mn(2)O5 square pyramids, faces with two equivalent Co(2)O5 square pyramids, and faces with two equivalent Co(1)O5 trigonal bipyramids. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a body-centered cubic geometry to one O(10), one O(3), one O(4), one O(5), one O(6), one O(7), one O(8), and one O(9) atom. In the second Y site, Y(2) is bonded in a body-centered cubic geometry to one O(10), one O(3), one O(4), one O(5), one O(6), one O(7), one O(8), and one O(9) atom. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(10), one O(7), one O(8), and one O(9) atom to form MnO5 square pyramids that share  a cornercorner with one Co(2)O5 square pyramid, corners with four equivalent Mn(2)O5 square pyramids, faces with two equivalent Ba(1)O12 cuboctahedra, and faces with two equivalent Ba(2)O12 cuboctahedra. In the second Mn site, Mn(2) is bonded to one O(10), one O(2), one O(7), one O(8), and one O(9) atom to form MnO5 square pyramids that share corners with four equivalent Mn(1)O5 square pyramids,  a cornercorner with one Co(1)O5 trigonal bipyramid, faces with two equivalent Ba(1)O12 cuboctahedra, and faces with two equivalent Ba(2)O12 cuboctahedra. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form distorted CoO5 trigonal bipyramids that share  a cornercorner with one Mn(2)O5 square pyramid, corners with four equivalent Co(2)O5 square pyramids, faces with two equivalent Ba(1)O12 cuboctahedra, and faces with two equivalent Ba(2)O12 cuboctahedra. In the second Co site, Co(2) is bonded to one O(1), one O(3), one O(4), one O(5), and one O(6) atom to form distorted CoO5 square pyramids that share  a cornercorner with one Mn(1)O5 square pyramid, corners with four equivalent Co(1)O5 trigonal bipyramids, faces with two equivalent Ba(1)O12 cuboctahedra, and faces with two equivalent Ba(2)O12 cuboctahedra. There are ten inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ba(1), two equivalent Ba(2), one Mn(1), and one Co(2) atom to form a mixture of distorted corner and edge-sharing OBa4MnCo octahedra. The corner-sharing octahedral tilt angles are 1°. In the second O site, O(2) is bonded to two equivalent Ba(1), two equivalent Ba(2), one Mn(2), and one Co(1) atom to form a mixture of distorted corner and edge-sharing OBa4MnCo octahedra. The corner-sharing octahedral tilt angles are 1°. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(2), one Y(1), one Y(2), one Co(1), and one Co(2) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(2), one Y(1), one Y(2), one Co(1), and one Co(2) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(2), one Y(1), one Y(2), one Co(1), and one Co(2) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(2), one Y(1), one Y(2), one Co(1), and one Co(2) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(2), one Y(1), one Y(2), one Mn(1), and one Mn(2) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(2), one Y(1), one Y(2), one Mn(1), and one Mn(2) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(2), one Y(1), one Y(2), one Mn(1), and one Mn(2) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(2), one Y(1), one Y(2), one Mn(1), and one Mn(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaYMnCoO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.961
_cell_length_b   3.974
_cell_length_c   7.655
_cell_angle_alpha   90.047
_cell_angle_beta   89.955
_cell_angle_gamma   89.912
_symmetry_Int_Tables_number   1
_cell_volume   120.491
_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  0.001  0.003  0.994  1.0
  Co  Co1  1  0.501  0.503  0.743  1.0
  Mn  Mn2  1  0.500  0.500  0.267  1.0
  O  O3  1  0.501  0.497  0.994  1.0
  O  O4  1  0.499  0.998  0.683  1.0
  O  O5  1  0.999  0.499  0.684  1.0
  O  O6  1  0.500  0.000  0.313  1.0
  O  O7  1  0.000  0.500  0.315  1.0
  Y  Y8  1  1.000  1.000  0.506  1.0
[/CIF]
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The material described by YBaMnCoO5 crystallizes in the triclinic P1 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to one O(10), one O(3), one O(4), one O(5), one O(6), one O(7), one O(8), one O(9), two equivalent O(1), and two equivalent O(2) atoms to form distorted BaO12 cuboctahedra that share corners with four equivalent Ba(1)O12 cuboctahedra, faces with four equivalent Ba(2)O12 cuboctahedra, faces with two equivalent Mn(1)O5 square pyramids, faces with two equivalent Mn(2)O5 square pyramids, faces with two equivalent Co(2)O5 square pyramids, and faces with two equivalent Co(1)O5 trigonal bipyramids. In the second Ba site, Ba(2) is bonded to one O(10), one O(3), one O(4), one O(5), one O(6), one O(7), one O(8), one O(9), two equivalent O(1), and two equivalent O(2) atoms to form distorted BaO12 cuboctahedra that share corners with four equivalent Ba(2)O12 cuboctahedra, faces with four equivalent Ba(1)O12 cuboctahedra, faces with two equivalent Mn(1)O5 square pyramids, faces with two equivalent Mn(2)O5 square pyramids, faces with two equivalent Co(2)O5 square pyramids, and faces with two equivalent Co(1)O5 trigonal bipyramids. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a body-centered cubic geometry to one O(10), one O(3), one O(4), one O(5), one O(6), one O(7), one O(8), and one O(9) atom. In the second Y site, Y(2) is bonded in a body-centered cubic geometry to one O(10), one O(3), one O(4), one O(5), one O(6), one O(7), one O(8), and one O(9) atom. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(10), one O(7), one O(8), and one O(9) atom to form MnO5 square pyramids that share  a cornercorner with one Co(2)O5 square pyramid, corners with four equivalent Mn(2)O5 square pyramids, faces with two equivalent Ba(1)O12 cuboctahedra, and faces with two equivalent Ba(2)O12 cuboctahedra. In the second Mn site, Mn(2) is bonded to one O(10), one O(2), one O(7), one O(8), and one O(9) atom to form MnO5 square pyramids that share corners with four equivalent Mn(1)O5 square pyramids,  a cornercorner with one Co(1)O5 trigonal bipyramid, faces with two equivalent Ba(1)O12 cuboctahedra, and faces with two equivalent Ba(2)O12 cuboctahedra. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form distorted CoO5 trigonal bipyramids that share  a cornercorner with one Mn(2)O5 square pyramid, corners with four equivalent Co(2)O5 square pyramids, faces with two equivalent Ba(1)O12 cuboctahedra, and faces with two equivalent Ba(2)O12 cuboctahedra. In the second Co site, Co(2) is bonded to one O(1), one O(3), one O(4), one O(5), and one O(6) atom to form distorted CoO5 square pyramids that share  a cornercorner with one Mn(1)O5 square pyramid, corners with four equivalent Co(1)O5 trigonal bipyramids, faces with two equivalent Ba(1)O12 cuboctahedra, and faces with two equivalent Ba(2)O12 cuboctahedra. There are ten inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ba(1), two equivalent Ba(2), one Mn(1), and one Co(2) atom to form a mixture of distorted corner and edge-sharing OBa4MnCo octahedra. The corner-sharing octahedral tilt angles are 1°. In the second O site, O(2) is bonded to two equivalent Ba(1), two equivalent Ba(2), one Mn(2), and one Co(1) atom to form a mixture of distorted corner and edge-sharing OBa4MnCo octahedra. The corner-sharing octahedral tilt angles are 1°. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(2), one Y(1), one Y(2), one Co(1), and one Co(2) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(2), one Y(1), one Y(2), one Co(1), and one Co(2) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(2), one Y(1), one Y(2), one Co(1), and one Co(2) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(2), one Y(1), one Y(2), one Co(1), and one Co(2) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(2), one Y(1), one Y(2), one Mn(1), and one Mn(2) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(2), one Y(1), one Y(2), one Mn(1), and one Mn(2) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(2), one Y(1), one Y(2), one Mn(1), and one Mn(2) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(2), one Y(1), one Y(2), one Mn(1), and one Mn(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaYMnCoO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.961
_cell_length_b   3.974
_cell_length_c   7.655
_cell_angle_alpha   90.047
_cell_angle_beta   89.955
_cell_angle_gamma   89.912
_symmetry_Int_Tables_number   1
_cell_volume   120.491
_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  0.001  0.003  0.994  1.0
  Co  Co1  1  0.501  0.503  0.743  1.0
  Mn  Mn2  1  0.500  0.500  0.267  1.0
  O  O3  1  0.501  0.497  0.994  1.0
  O  O4  1  0.499  0.998  0.683  1.0
  O  O5  1  0.999  0.499  0.684  1.0
  O  O6  1  0.500  0.000  0.313  1.0
  O  O7  1  0.000  0.500  0.315  1.0
  Y  Y8  1  1.000  1.000  0.506  1.0
[/CIF]
.