The compound described by BaDy2ZnO5 crystallizes in the orthorhombic Pnma space group. Ba(1) is bonded in a 11-coordinate geometry to three equivalent O(1), four equivalent O(2), and four equivalent O(3) atoms. There are two inequivalent Dy sites. In the first Dy site, Dy(1) is bonded to one O(1), two equivalent O(2), and four equivalent O(3) atoms to form distorted DyO7 pentagonal bipyramids that share corners with five equivalent Zn(1)O5 trigonal bipyramids, edges with two equivalent Dy(1)O7 pentagonal bipyramids, and  an edgeedge with one Zn(1)O5 trigonal bipyramid. In the second Dy site, Dy(2) is bonded in a 7-coordinate geometry to one O(1), two equivalent O(3), and four equivalent O(2) atoms. Zn(1) is bonded to one O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted ZnO5 trigonal bipyramids that share corners with five equivalent Dy(1)O7 pentagonal bipyramids and  an edgeedge with one Dy(1)O7 pentagonal bipyramid. There are three inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Ba(1), one Dy(1), one Dy(2), and one Zn(1) atom to form distorted OBa3Dy2Zn octahedra that share corners with two equivalent O(1)Ba3Dy2Zn octahedra, corners with eight equivalent O(2)Ba2Dy3Zn octahedra, edges with two equivalent O(1)Ba3Dy2Zn octahedra, and faces with four equivalent O(2)Ba2Dy3Zn octahedra. The corner-sharing octahedral tilt angles range from 1-63°. In the second O site, O(2) is bonded to two equivalent Ba(1), one Dy(1), two equivalent Dy(2), and one Zn(1) atom to form distorted OBa2Dy3Zn octahedra that share corners with four equivalent O(2)Ba2Dy3Zn octahedra, corners with four equivalent O(1)Ba3Dy2Zn octahedra, edges with two equivalent O(2)Ba2Dy3Zn octahedra, faces with two equivalent O(2)Ba2Dy3Zn octahedra, and faces with two equivalent O(1)Ba3Dy2Zn octahedra. The corner-sharing octahedral tilt angles range from 26-78°. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Ba(1), one Dy(2), two equivalent Dy(1), and one Zn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaDy2ZnO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.760
_cell_length_b   7.150
_cell_length_c   12.445
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   512.594
_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  0.750  0.077  0.102  1.0
  Ba  Ba1  1  0.750  0.423  0.602  1.0
  Ba  Ba2  1  0.250  0.577  0.398  1.0
  Ba  Ba3  1  0.250  0.923  0.898  1.0
  Dy  Dy4  1  0.250  0.400  0.074  1.0
  Dy  Dy5  1  0.750  0.618  0.208  1.0
  Dy  Dy6  1  0.750  0.882  0.708  1.0
  Dy  Dy7  1  0.250  0.118  0.292  1.0
  Dy  Dy8  1  0.750  0.600  0.926  1.0
  Dy  Dy9  1  0.750  0.900  0.426  1.0
  Dy  Dy10  1  0.250  0.100  0.574  1.0
  Dy  Dy11  1  0.250  0.382  0.792  1.0
  Zn  Zn12  1  0.250  0.808  0.150  1.0
  Zn  Zn13  1  0.750  0.192  0.850  1.0
  Zn  Zn14  1  0.750  0.308  0.350  1.0
  Zn  Zn15  1  0.250  0.692  0.650  1.0
  O  O16  1  0.250  0.425  0.600  1.0
  O  O17  1  0.750  0.575  0.400  1.0
  O  O18  1  0.750  0.925  0.900  1.0
  O  O19  1  0.250  0.075  0.100  1.0
  O  O20  1  0.000  0.858  0.275  1.0
  O  O21  1  0.500  0.142  0.725  1.0
  O  O22  1  1.000  0.358  0.225  1.0
  O  O23  1  0.500  0.642  0.775  1.0
  O  O24  1  1.000  0.142  0.725  1.0
  O  O25  1  0.500  0.858  0.275  1.0
  O  O26  1  0.000  0.642  0.775  1.0
  O  O27  1  0.500  0.358  0.225  1.0
  O  O28  1  0.498  0.663  0.066  1.0
  O  O29  1  0.998  0.337  0.934  1.0
  O  O30  1  0.502  0.163  0.434  1.0
  O  O31  1  0.002  0.837  0.566  1.0
  O  O32  1  0.998  0.163  0.434  1.0
  O  O33  1  0.498  0.837  0.566  1.0
  O  O34  1  0.002  0.663  0.066  1.0
  O  O35  1  0.502  0.337  0.934  1.0
[/CIF]
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The compound described by BaDy2ZnO5 crystallizes in the orthorhombic Pnma space group. Ba(1) is bonded in a 11-coordinate geometry to three equivalent O(1), four equivalent O(2), and four equivalent O(3) atoms. There are two inequivalent Dy sites. In the first Dy site, Dy(1) is bonded to one O(1), two equivalent O(2), and four equivalent O(3) atoms to form distorted DyO7 pentagonal bipyramids that share corners with five equivalent Zn(1)O5 trigonal bipyramids, edges with two equivalent Dy(1)O7 pentagonal bipyramids, and  an edgeedge with one Zn(1)O5 trigonal bipyramid. In the second Dy site, Dy(2) is bonded in a 7-coordinate geometry to one O(1), two equivalent O(3), and four equivalent O(2) atoms. Zn(1) is bonded to one O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted ZnO5 trigonal bipyramids that share corners with five equivalent Dy(1)O7 pentagonal bipyramids and  an edgeedge with one Dy(1)O7 pentagonal bipyramid. There are three inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Ba(1), one Dy(1), one Dy(2), and one Zn(1) atom to form distorted OBa3Dy2Zn octahedra that share corners with two equivalent O(1)Ba3Dy2Zn octahedra, corners with eight equivalent O(2)Ba2Dy3Zn octahedra, edges with two equivalent O(1)Ba3Dy2Zn octahedra, and faces with four equivalent O(2)Ba2Dy3Zn octahedra. The corner-sharing octahedral tilt angles range from 1-63°. In the second O site, O(2) is bonded to two equivalent Ba(1), one Dy(1), two equivalent Dy(2), and one Zn(1) atom to form distorted OBa2Dy3Zn octahedra that share corners with four equivalent O(2)Ba2Dy3Zn octahedra, corners with four equivalent O(1)Ba3Dy2Zn octahedra, edges with two equivalent O(2)Ba2Dy3Zn octahedra, faces with two equivalent O(2)Ba2Dy3Zn octahedra, and faces with two equivalent O(1)Ba3Dy2Zn octahedra. The corner-sharing octahedral tilt angles range from 26-78°. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Ba(1), one Dy(2), two equivalent Dy(1), and one Zn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaDy2ZnO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.760
_cell_length_b   7.150
_cell_length_c   12.445
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   512.594
_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  0.750  0.077  0.102  1.0
  Ba  Ba1  1  0.750  0.423  0.602  1.0
  Ba  Ba2  1  0.250  0.577  0.398  1.0
  Ba  Ba3  1  0.250  0.923  0.898  1.0
  Dy  Dy4  1  0.250  0.400  0.074  1.0
  Dy  Dy5  1  0.750  0.618  0.208  1.0
  Dy  Dy6  1  0.750  0.882  0.708  1.0
  Dy  Dy7  1  0.250  0.118  0.292  1.0
  Dy  Dy8  1  0.750  0.600  0.926  1.0
  Dy  Dy9  1  0.750  0.900  0.426  1.0
  Dy  Dy10  1  0.250  0.100  0.574  1.0
  Dy  Dy11  1  0.250  0.382  0.792  1.0
  Zn  Zn12  1  0.250  0.808  0.150  1.0
  Zn  Zn13  1  0.750  0.192  0.850  1.0
  Zn  Zn14  1  0.750  0.308  0.350  1.0
  Zn  Zn15  1  0.250  0.692  0.650  1.0
  O  O16  1  0.250  0.425  0.600  1.0
  O  O17  1  0.750  0.575  0.400  1.0
  O  O18  1  0.750  0.925  0.900  1.0
  O  O19  1  0.250  0.075  0.100  1.0
  O  O20  1  0.000  0.858  0.275  1.0
  O  O21  1  0.500  0.142  0.725  1.0
  O  O22  1  1.000  0.358  0.225  1.0
  O  O23  1  0.500  0.642  0.775  1.0
  O  O24  1  1.000  0.142  0.725  1.0
  O  O25  1  0.500  0.858  0.275  1.0
  O  O26  1  0.000  0.642  0.775  1.0
  O  O27  1  0.500  0.358  0.225  1.0
  O  O28  1  0.498  0.663  0.066  1.0
  O  O29  1  0.998  0.337  0.934  1.0
  O  O30  1  0.502  0.163  0.434  1.0
  O  O31  1  0.002  0.837  0.566  1.0
  O  O32  1  0.998  0.163  0.434  1.0
  O  O33  1  0.498  0.837  0.566  1.0
  O  O34  1  0.002  0.663  0.066  1.0
  O  O35  1  0.502  0.337  0.934  1.0
[/CIF]
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