The structure described by BaMgYMnCuO5 crystallizes in the monoclinic Pm space group. Ba(1) is bonded in a 4-coordinate geometry to two equivalent O(4) and two equivalent O(5) atoms. Mg(1) is bonded in a T-shaped geometry to one O(1) and two equivalent O(5) atoms. Y(1) is bonded in a 7-coordinate geometry to one O(4), two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. Mn(1) is bonded to one O(5), two equivalent O(1), and two equivalent O(2) atoms to form corner-sharing MnO5 trigonal bipyramids. Cu(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent O(3) and two equivalent O(4) atoms. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), two equivalent Y(1), and two equivalent Mn(1) atoms to form distorted OY2MgMn2 trigonal bipyramids that share corners with two equivalent O(4)Ba2YCu2 square pyramids, corners with four equivalent O(1)Y2MgMn2 trigonal bipyramids, edges with two equivalent O(5)Ba2Mg2Mn square pyramids, and edges with four equivalent O(2)Y2Mn2 trigonal pyramids. In the second O site, O(2) is bonded to two equivalent Y(1) and two equivalent Mn(1) atoms to form distorted OY2Mn2 trigonal pyramids that share corners with two equivalent O(5)Ba2Mg2Mn square pyramids, corners with two equivalent O(4)Ba2YCu2 square pyramids, corners with four equivalent O(2)Y2Mn2 trigonal pyramids, and edges with four equivalent O(1)Y2MgMn2 trigonal bipyramids. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Y(1) and two equivalent Cu(1) atoms. In the fourth O site, O(4) is bonded to two equivalent Ba(1), one Y(1), and two equivalent Cu(1) atoms to form distorted OBa2YCu2 square pyramids that share corners with four equivalent O(5)Ba2Mg2Mn square pyramids, corners with four equivalent O(4)Ba2YCu2 square pyramids, corners with two equivalent O(1)Y2MgMn2 trigonal bipyramids, and corners with two equivalent O(2)Y2Mn2 trigonal pyramids. In the fifth O site, O(5) is bonded to two equivalent Ba(1), two equivalent Mg(1), and one Mn(1) atom to form distorted OBa2Mg2Mn square pyramids that share corners with four equivalent O(5)Ba2Mg2Mn square pyramids, corners with four equivalent O(4)Ba2YCu2 square pyramids, corners with two equivalent O(2)Y2Mn2 trigonal pyramids, and edges with two equivalent O(1)Y2MgMn2 trigonal bipyramids. is represented by the CIF file [CIF]
data_BaYMgMnCuO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.100
_cell_length_b   3.894
_cell_length_c   10.043
_cell_angle_alpha   90.010
_cell_angle_beta   75.238
_cell_angle_gamma   89.997
_symmetry_Int_Tables_number   1
_cell_volume   155.049
_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  0.168  1.000  0.102  1.0
  Y  Y1  1  0.070  0.000  0.470  1.0
  Mg  Mg2  1  0.839  0.500  0.852  1.0
  Mn  Mn3  1  0.466  0.500  0.648  1.0
  Cu  Cu4  1  0.586  0.500  0.281  1.0
  O  O5  1  0.964  0.500  0.651  1.0
  O  O6  1  0.504  0.000  0.572  1.0
  O  O7  1  0.034  0.500  0.354  1.0
  O  O8  1  0.553  0.000  0.259  1.0
  O  O9  1  0.315  0.500  0.890  1.0
[/CIF]
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The structure described by BaMgYMnCuO5 crystallizes in the monoclinic Pm space group. Ba(1) is bonded in a 4-coordinate geometry to two equivalent O(4) and two equivalent O(5) atoms. Mg(1) is bonded in a T-shaped geometry to one O(1) and two equivalent O(5) atoms. Y(1) is bonded in a 7-coordinate geometry to one O(4), two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. Mn(1) is bonded to one O(5), two equivalent O(1), and two equivalent O(2) atoms to form corner-sharing MnO5 trigonal bipyramids. Cu(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent O(3) and two equivalent O(4) atoms. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), two equivalent Y(1), and two equivalent Mn(1) atoms to form distorted OY2MgMn2 trigonal bipyramids that share corners with two equivalent O(4)Ba2YCu2 square pyramids, corners with four equivalent O(1)Y2MgMn2 trigonal bipyramids, edges with two equivalent O(5)Ba2Mg2Mn square pyramids, and edges with four equivalent O(2)Y2Mn2 trigonal pyramids. In the second O site, O(2) is bonded to two equivalent Y(1) and two equivalent Mn(1) atoms to form distorted OY2Mn2 trigonal pyramids that share corners with two equivalent O(5)Ba2Mg2Mn square pyramids, corners with two equivalent O(4)Ba2YCu2 square pyramids, corners with four equivalent O(2)Y2Mn2 trigonal pyramids, and edges with four equivalent O(1)Y2MgMn2 trigonal bipyramids. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Y(1) and two equivalent Cu(1) atoms. In the fourth O site, O(4) is bonded to two equivalent Ba(1), one Y(1), and two equivalent Cu(1) atoms to form distorted OBa2YCu2 square pyramids that share corners with four equivalent O(5)Ba2Mg2Mn square pyramids, corners with four equivalent O(4)Ba2YCu2 square pyramids, corners with two equivalent O(1)Y2MgMn2 trigonal bipyramids, and corners with two equivalent O(2)Y2Mn2 trigonal pyramids. In the fifth O site, O(5) is bonded to two equivalent Ba(1), two equivalent Mg(1), and one Mn(1) atom to form distorted OBa2Mg2Mn square pyramids that share corners with four equivalent O(5)Ba2Mg2Mn square pyramids, corners with four equivalent O(4)Ba2YCu2 square pyramids, corners with two equivalent O(2)Y2Mn2 trigonal pyramids, and edges with two equivalent O(1)Y2MgMn2 trigonal bipyramids. is represented by the CIF file [CIF]
data_BaYMgMnCuO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.100
_cell_length_b   3.894
_cell_length_c   10.043
_cell_angle_alpha   90.010
_cell_angle_beta   75.238
_cell_angle_gamma   89.997
_symmetry_Int_Tables_number   1
_cell_volume   155.049
_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  0.168  1.000  0.102  1.0
  Y  Y1  1  0.070  0.000  0.470  1.0
  Mg  Mg2  1  0.839  0.500  0.852  1.0
  Mn  Mn3  1  0.466  0.500  0.648  1.0
  Cu  Cu4  1  0.586  0.500  0.281  1.0
  O  O5  1  0.964  0.500  0.651  1.0
  O  O6  1  0.504  0.000  0.572  1.0
  O  O7  1  0.034  0.500  0.354  1.0
  O  O8  1  0.553  0.000  0.259  1.0
  O  O9  1  0.315  0.500  0.890  1.0
[/CIF]
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