The crystal structure described by BaYMnCuO5 crystallizes in the orthorhombic Amm2 space group. Ba(1) is bonded in a 10-coordinate geometry to one O(3), one O(4), one O(6), one O(7), two equivalent O(1), two equivalent O(2), and two equivalent O(8) atoms. Y(1) is bonded in a body-centered cubic geometry to one O(3), one O(4), one O(6), one O(7), two equivalent O(5), and two equivalent O(8) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), two equivalent O(3), and two equivalent O(5) atoms to form MnO5 trigonal bipyramids that share  a cornercorner with one Cu(1)O5 trigonal bipyramid, corners with two equivalent Mn(1)O5 trigonal bipyramids, and corners with two equivalent Mn(2)O5 trigonal bipyramids. In the second Mn site, Mn(2) is bonded to one O(2), two equivalent O(4), and two equivalent O(5) atoms to form MnO5 trigonal bipyramids that share  a cornercorner with one Cu(2)O5 trigonal bipyramid, corners with two equivalent Mn(1)O5 trigonal bipyramids, and corners with two equivalent Mn(2)O5 trigonal bipyramids. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(1), two equivalent O(7), and two equivalent O(8) atoms to form CuO5 trigonal bipyramids that share  a cornercorner with one Mn(1)O5 trigonal bipyramid, corners with two equivalent Cu(1)O5 trigonal bipyramids, and corners with two equivalent Cu(2)O5 trigonal bipyramids. In the second Cu site, Cu(2) is bonded to one O(2), two equivalent O(6), and two equivalent O(8) atoms to form CuO5 trigonal bipyramids that share  a cornercorner with one Mn(2)O5 trigonal bipyramid, corners with two equivalent Cu(1)O5 trigonal bipyramids, and corners with two equivalent Cu(2)O5 trigonal bipyramids. There are eight inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Ba(1), one Mn(1), and one Cu(1) atom to form distorted OBa4MnCu octahedra that share corners with four equivalent O(8)Ba2Y2Cu2 octahedra, corners with four equivalent O(2)Ba4MnCu octahedra, corners with two equivalent O(5)Y2Mn2 tetrahedra, edges with two equivalent O(1)Ba4MnCu octahedra, edges with two equivalent O(2)Ba4MnCu octahedra, and faces with two equivalent O(8)Ba2Y2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 15-56°. In the second O site, O(2) is bonded to four equivalent Ba(1), one Mn(2), and one Cu(2) atom to form distorted OBa4MnCu octahedra that share corners with four equivalent O(8)Ba2Y2Cu2 octahedra, corners with four equivalent O(1)Ba4MnCu octahedra, corners with two equivalent O(5)Y2Mn2 tetrahedra, edges with two equivalent O(1)Ba4MnCu octahedra, edges with two equivalent O(2)Ba4MnCu octahedra, and faces with two equivalent O(8)Ba2Y2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 15-56°. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Ba(1), two equivalent Y(1), and two equivalent Mn(1) atoms. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to two equivalent Ba(1), two equivalent Y(1), and two equivalent Mn(2) atoms. In the fifth O site, O(5) is bonded to two equivalent Y(1), one Mn(1), and one Mn(2) atom to form distorted OY2Mn2 tetrahedra that share  a cornercorner with one O(1)Ba4MnCu octahedra,  a cornercorner with one O(2)Ba4MnCu octahedra, corners with two equivalent O(8)Ba2Y2Cu2 octahedra, corners with four equivalent O(5)Y2Mn2 tetrahedra, and  an edgeedge with one O(8)Ba2Y2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 6-71°. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to two equivalent Ba(1), two equivalent Y(1), and two equivalent Cu(2) atoms. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to two equivalent Ba(1), two equivalent Y(1), and two equivalent Cu(1) atoms. In the eighth O site, O(8) is bonded to two equivalent Ba(1), two equivalent Y(1), one Cu(1), and one Cu(2) atom to form distorted OBa2Y2Cu2 octahedra that share corners with two equivalent O(8)Ba2Y2Cu2 octahedra, corners with two equivalent O(1)Ba4MnCu octahedra, corners with two equivalent O(2)Ba4MnCu octahedra, corners with two equivalent O(5)Y2Mn2 tetrahedra, edges with two equivalent O(8)Ba2Y2Cu2 octahedra,  an edgeedge with one O(5)Y2Mn2 tetrahedra,  a faceface with one O(1)Ba4MnCu octahedra, and  a faceface with one O(2)Ba4MnCu octahedra. The corner-sharing octahedral tilt angles range from 7-56°. is represented by the CIF file [CIF]
data_BaYMnCuO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.839
_cell_length_b   3.935
_cell_length_c   7.975
_cell_angle_alpha   89.997
_cell_angle_beta   89.999
_cell_angle_gamma   89.990
_symmetry_Int_Tables_number   1
_cell_volume   120.479
_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  0.000  1.000  0.007  1.0
  Cu  Cu1  1  0.500  0.500  0.753  1.0
  Mn  Mn2  1  0.500  0.500  0.296  1.0
  O  O3  1  0.500  0.500  0.053  1.0
  O  O4  1  0.000  0.500  0.340  1.0
  O  O5  1  0.500  1.000  0.381  1.0
  O  O6  1  1.000  0.500  0.704  1.0
  O  O7  1  0.500  0.000  0.739  1.0
  Y  Y8  1  0.000  0.000  0.540  1.0
[/CIF]
.
The crystal structure described by BaYMnCuO5 crystallizes in the orthorhombic Amm2 space group. Ba(1) is bonded in a 10-coordinate geometry to one O(3), one O(4), one O(6), one O(7), two equivalent O(1), two equivalent O(2), and two equivalent O(8) atoms. Y(1) is bonded in a body-centered cubic geometry to one O(3), one O(4), one O(6), one O(7), two equivalent O(5), and two equivalent O(8) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), two equivalent O(3), and two equivalent O(5) atoms to form MnO5 trigonal bipyramids that share  a cornercorner with one Cu(1)O5 trigonal bipyramid, corners with two equivalent Mn(1)O5 trigonal bipyramids, and corners with two equivalent Mn(2)O5 trigonal bipyramids. In the second Mn site, Mn(2) is bonded to one O(2), two equivalent O(4), and two equivalent O(5) atoms to form MnO5 trigonal bipyramids that share  a cornercorner with one Cu(2)O5 trigonal bipyramid, corners with two equivalent Mn(1)O5 trigonal bipyramids, and corners with two equivalent Mn(2)O5 trigonal bipyramids. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(1), two equivalent O(7), and two equivalent O(8) atoms to form CuO5 trigonal bipyramids that share  a cornercorner with one Mn(1)O5 trigonal bipyramid, corners with two equivalent Cu(1)O5 trigonal bipyramids, and corners with two equivalent Cu(2)O5 trigonal bipyramids. In the second Cu site, Cu(2) is bonded to one O(2), two equivalent O(6), and two equivalent O(8) atoms to form CuO5 trigonal bipyramids that share  a cornercorner with one Mn(2)O5 trigonal bipyramid, corners with two equivalent Cu(1)O5 trigonal bipyramids, and corners with two equivalent Cu(2)O5 trigonal bipyramids. There are eight inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Ba(1), one Mn(1), and one Cu(1) atom to form distorted OBa4MnCu octahedra that share corners with four equivalent O(8)Ba2Y2Cu2 octahedra, corners with four equivalent O(2)Ba4MnCu octahedra, corners with two equivalent O(5)Y2Mn2 tetrahedra, edges with two equivalent O(1)Ba4MnCu octahedra, edges with two equivalent O(2)Ba4MnCu octahedra, and faces with two equivalent O(8)Ba2Y2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 15-56°. In the second O site, O(2) is bonded to four equivalent Ba(1), one Mn(2), and one Cu(2) atom to form distorted OBa4MnCu octahedra that share corners with four equivalent O(8)Ba2Y2Cu2 octahedra, corners with four equivalent O(1)Ba4MnCu octahedra, corners with two equivalent O(5)Y2Mn2 tetrahedra, edges with two equivalent O(1)Ba4MnCu octahedra, edges with two equivalent O(2)Ba4MnCu octahedra, and faces with two equivalent O(8)Ba2Y2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 15-56°. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Ba(1), two equivalent Y(1), and two equivalent Mn(1) atoms. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to two equivalent Ba(1), two equivalent Y(1), and two equivalent Mn(2) atoms. In the fifth O site, O(5) is bonded to two equivalent Y(1), one Mn(1), and one Mn(2) atom to form distorted OY2Mn2 tetrahedra that share  a cornercorner with one O(1)Ba4MnCu octahedra,  a cornercorner with one O(2)Ba4MnCu octahedra, corners with two equivalent O(8)Ba2Y2Cu2 octahedra, corners with four equivalent O(5)Y2Mn2 tetrahedra, and  an edgeedge with one O(8)Ba2Y2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 6-71°. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to two equivalent Ba(1), two equivalent Y(1), and two equivalent Cu(2) atoms. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to two equivalent Ba(1), two equivalent Y(1), and two equivalent Cu(1) atoms. In the eighth O site, O(8) is bonded to two equivalent Ba(1), two equivalent Y(1), one Cu(1), and one Cu(2) atom to form distorted OBa2Y2Cu2 octahedra that share corners with two equivalent O(8)Ba2Y2Cu2 octahedra, corners with two equivalent O(1)Ba4MnCu octahedra, corners with two equivalent O(2)Ba4MnCu octahedra, corners with two equivalent O(5)Y2Mn2 tetrahedra, edges with two equivalent O(8)Ba2Y2Cu2 octahedra,  an edgeedge with one O(5)Y2Mn2 tetrahedra,  a faceface with one O(1)Ba4MnCu octahedra, and  a faceface with one O(2)Ba4MnCu octahedra. The corner-sharing octahedral tilt angles range from 7-56°. is represented by the CIF file [CIF]
data_BaYMnCuO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.839
_cell_length_b   3.935
_cell_length_c   7.975
_cell_angle_alpha   89.997
_cell_angle_beta   89.999
_cell_angle_gamma   89.990
_symmetry_Int_Tables_number   1
_cell_volume   120.479
_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  0.000  1.000  0.007  1.0
  Cu  Cu1  1  0.500  0.500  0.753  1.0
  Mn  Mn2  1  0.500  0.500  0.296  1.0
  O  O3  1  0.500  0.500  0.053  1.0
  O  O4  1  0.000  0.500  0.340  1.0
  O  O5  1  0.500  1.000  0.381  1.0
  O  O6  1  1.000  0.500  0.704  1.0
  O  O7  1  0.500  0.000  0.739  1.0
  Y  Y8  1  0.000  0.000  0.540  1.0
[/CIF]
.