The compound described by BaDy2MnO5 crystallizes in the orthorhombic Pnma space group. Ba(1) is bonded in a 11-coordinate geometry to three equivalent O(3), four equivalent O(1), and four equivalent O(2) atoms. There are two inequivalent Dy sites. In the first Dy site, Dy(1) is bonded in a 7-coordinate geometry to one O(3), two equivalent O(1), and four equivalent O(2) atoms. In the second Dy site, Dy(2) is bonded to one O(3), two equivalent O(2), and four equivalent O(1) atoms to form distorted DyO7 pentagonal bipyramids that share corners with five equivalent Mn(1)O5 trigonal bipyramids, edges with two equivalent Dy(2)O7 pentagonal bipyramids, and  an edgeedge with one Mn(1)O5 trigonal bipyramid. Mn(1) is bonded to one O(3), two equivalent O(1), and two equivalent O(2) atoms to form distorted MnO5 trigonal bipyramids that share corners with five equivalent Dy(2)O7 pentagonal bipyramids and  an edgeedge with one Dy(2)O7 pentagonal bipyramid. There are three inequivalent O sites. In the first O site, O(3) is bonded to three equivalent Ba(1), one Dy(1), one Dy(2), and one Mn(1) atom to form a mixture of distorted corner and edge-sharing OBa3Dy2Mn octahedra. The corner-sharing octahedral tilt angles are 1°. In the second O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Ba(1), one Dy(1), two equivalent Dy(2), and one Mn(1) atom. In the third O site, O(2) is bonded in a 6-coordinate geometry to two equivalent Ba(1), one Dy(2), two equivalent Dy(1), and one Mn(1) atom. is represented by the CIF file [CIF]
data_BaDy2MnO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.804
_cell_length_b   7.214
_cell_length_c   12.517
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   524.082
_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  0.250  0.919  0.899  1.0
  Ba  Ba1  1  0.750  0.081  0.101  1.0
  Ba  Ba2  1  0.750  0.419  0.601  1.0
  Ba  Ba3  1  0.250  0.581  0.399  1.0
  Dy  Dy4  1  0.250  0.123  0.293  1.0
  Dy  Dy5  1  0.750  0.877  0.707  1.0
  Dy  Dy6  1  0.750  0.623  0.207  1.0
  Dy  Dy7  1  0.250  0.377  0.793  1.0
  Dy  Dy8  1  0.250  0.400  0.074  1.0
  Dy  Dy9  1  0.750  0.600  0.926  1.0
  Dy  Dy10  1  0.750  0.900  0.426  1.0
  Dy  Dy11  1  0.250  0.100  0.574  1.0
  Mn  Mn12  1  0.250  0.692  0.652  1.0
  Mn  Mn13  1  0.750  0.308  0.348  1.0
  Mn  Mn14  1  0.750  0.192  0.848  1.0
  Mn  Mn15  1  0.250  0.808  0.152  1.0
  O  O16  1  0.002  0.162  0.435  1.0
  O  O17  1  0.502  0.838  0.565  1.0
  O  O18  1  0.998  0.662  0.065  1.0
  O  O19  1  0.498  0.338  0.935  1.0
  O  O20  1  0.998  0.838  0.565  1.0
  O  O21  1  0.498  0.162  0.435  1.0
  O  O22  1  0.002  0.338  0.935  1.0
  O  O23  1  0.502  0.662  0.065  1.0
  O  O24  1  0.499  0.362  0.224  1.0
  O  O25  1  0.999  0.638  0.776  1.0
  O  O26  1  0.501  0.862  0.276  1.0
  O  O27  1  0.001  0.138  0.724  1.0
  O  O28  1  0.501  0.638  0.776  1.0
  O  O29  1  0.001  0.362  0.224  1.0
  O  O30  1  0.499  0.138  0.724  1.0
  O  O31  1  0.999  0.862  0.276  1.0
  O  O32  1  0.250  0.079  0.101  1.0
  O  O33  1  0.750  0.921  0.899  1.0
  O  O34  1  0.750  0.579  0.399  1.0
  O  O35  1  0.250  0.421  0.601  1.0
[/CIF]
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The compound described by BaDy2MnO5 crystallizes in the orthorhombic Pnma space group. Ba(1) is bonded in a 11-coordinate geometry to three equivalent O(3), four equivalent O(1), and four equivalent O(2) atoms. There are two inequivalent Dy sites. In the first Dy site, Dy(1) is bonded in a 7-coordinate geometry to one O(3), two equivalent O(1), and four equivalent O(2) atoms. In the second Dy site, Dy(2) is bonded to one O(3), two equivalent O(2), and four equivalent O(1) atoms to form distorted DyO7 pentagonal bipyramids that share corners with five equivalent Mn(1)O5 trigonal bipyramids, edges with two equivalent Dy(2)O7 pentagonal bipyramids, and  an edgeedge with one Mn(1)O5 trigonal bipyramid. Mn(1) is bonded to one O(3), two equivalent O(1), and two equivalent O(2) atoms to form distorted MnO5 trigonal bipyramids that share corners with five equivalent Dy(2)O7 pentagonal bipyramids and  an edgeedge with one Dy(2)O7 pentagonal bipyramid. There are three inequivalent O sites. In the first O site, O(3) is bonded to three equivalent Ba(1), one Dy(1), one Dy(2), and one Mn(1) atom to form a mixture of distorted corner and edge-sharing OBa3Dy2Mn octahedra. The corner-sharing octahedral tilt angles are 1°. In the second O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Ba(1), one Dy(1), two equivalent Dy(2), and one Mn(1) atom. In the third O site, O(2) is bonded in a 6-coordinate geometry to two equivalent Ba(1), one Dy(2), two equivalent Dy(1), and one Mn(1) atom. is represented by the CIF file [CIF]
data_BaDy2MnO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.804
_cell_length_b   7.214
_cell_length_c   12.517
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   524.082
_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  0.250  0.919  0.899  1.0
  Ba  Ba1  1  0.750  0.081  0.101  1.0
  Ba  Ba2  1  0.750  0.419  0.601  1.0
  Ba  Ba3  1  0.250  0.581  0.399  1.0
  Dy  Dy4  1  0.250  0.123  0.293  1.0
  Dy  Dy5  1  0.750  0.877  0.707  1.0
  Dy  Dy6  1  0.750  0.623  0.207  1.0
  Dy  Dy7  1  0.250  0.377  0.793  1.0
  Dy  Dy8  1  0.250  0.400  0.074  1.0
  Dy  Dy9  1  0.750  0.600  0.926  1.0
  Dy  Dy10  1  0.750  0.900  0.426  1.0
  Dy  Dy11  1  0.250  0.100  0.574  1.0
  Mn  Mn12  1  0.250  0.692  0.652  1.0
  Mn  Mn13  1  0.750  0.308  0.348  1.0
  Mn  Mn14  1  0.750  0.192  0.848  1.0
  Mn  Mn15  1  0.250  0.808  0.152  1.0
  O  O16  1  0.002  0.162  0.435  1.0
  O  O17  1  0.502  0.838  0.565  1.0
  O  O18  1  0.998  0.662  0.065  1.0
  O  O19  1  0.498  0.338  0.935  1.0
  O  O20  1  0.998  0.838  0.565  1.0
  O  O21  1  0.498  0.162  0.435  1.0
  O  O22  1  0.002  0.338  0.935  1.0
  O  O23  1  0.502  0.662  0.065  1.0
  O  O24  1  0.499  0.362  0.224  1.0
  O  O25  1  0.999  0.638  0.776  1.0
  O  O26  1  0.501  0.862  0.276  1.0
  O  O27  1  0.001  0.138  0.724  1.0
  O  O28  1  0.501  0.638  0.776  1.0
  O  O29  1  0.001  0.362  0.224  1.0
  O  O30  1  0.499  0.138  0.724  1.0
  O  O31  1  0.999  0.862  0.276  1.0
  O  O32  1  0.250  0.079  0.101  1.0
  O  O33  1  0.750  0.921  0.899  1.0
  O  O34  1  0.750  0.579  0.399  1.0
  O  O35  1  0.250  0.421  0.601  1.0
[/CIF]
.