The compound described by DySm(NiO3)4 crystallizes in the orthorhombic Cmmm space group. Dy(1) is bonded in a 8-coordinate geometry to four equivalent O(2) and four O(4,4,4) atoms. Sm(1) is bonded in a distorted body-centered cubic geometry to four equivalent O(1) and four O(3,3) atoms. Ni(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form corner-sharing NiO6 octahedra. The corner-sharing octahedral tilt angles range from 0-33°. There are seven inequivalent O sites. In the first O site, O(3) is bonded in a square co-planar geometry to two equivalent Sm(1) and two equivalent Ni(1) atoms. In the second O site, O(4) is bonded in a square co-planar geometry to two equivalent Dy(1) and two equivalent Ni(1) atoms. In the third O site, O(1) is bonded in a 3-coordinate geometry to one Sm(1) and two equivalent Ni(1) atoms. In the fourth O site, O(2) is bonded in a 3-coordinate geometry to one Dy(1) and two equivalent Ni(1) atoms. In the fifth O site, O(3) is bonded in a square co-planar geometry to two equivalent Sm(1) and two equivalent Ni(1) atoms. In the sixth O site, O(4) is bonded in a square co-planar geometry to two equivalent Dy(1) and two equivalent Ni(1) atoms. In the seventh O site, O(4) is bonded in a square co-planar geometry to two equivalent Dy(1) and two equivalent Ni(1) atoms. is represented by the CIF file [CIF]
data_SmDy(NiO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.141
_cell_length_b   5.141
_cell_length_c   7.944
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.138
_symmetry_Int_Tables_number   1
_cell_volume   209.983
_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
  Sm  Sm0  1  0.000  0.000  0.000  1.0
  Dy  Dy1  1  0.500  0.500  0.500  1.0
  Ni  Ni2  1  0.000  0.500  0.251  1.0
  Ni  Ni3  1  0.000  0.500  0.749  1.0
  Ni  Ni4  1  0.500  0.000  0.749  1.0
  Ni  Ni5  1  0.500  0.000  0.251  1.0
  O  O6  1  0.180  0.180  0.750  1.0
  O  O7  1  0.180  0.180  0.250  1.0
  O  O8  1  0.820  0.820  0.250  1.0
  O  O9  1  0.820  0.820  0.750  1.0
  O  O10  1  0.677  0.323  0.258  1.0
  O  O11  1  0.677  0.323  0.742  1.0
  O  O12  1  0.323  0.677  0.258  1.0
  O  O13  1  0.323  0.677  0.742  1.0
  O  O14  1  0.000  0.500  0.000  1.0
  O  O15  1  0.000  0.500  0.500  1.0
  O  O16  1  0.500  0.000  0.000  1.0
  O  O17  1  0.500  0.000  0.500  1.0
[/CIF]
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The compound described by DySm(NiO3)4 crystallizes in the orthorhombic Cmmm space group. Dy(1) is bonded in a 8-coordinate geometry to four equivalent O(2) and four O(4,4,4) atoms. Sm(1) is bonded in a distorted body-centered cubic geometry to four equivalent O(1) and four O(3,3) atoms. Ni(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form corner-sharing NiO6 octahedra. The corner-sharing octahedral tilt angles range from 0-33°. There are seven inequivalent O sites. In the first O site, O(3) is bonded in a square co-planar geometry to two equivalent Sm(1) and two equivalent Ni(1) atoms. In the second O site, O(4) is bonded in a square co-planar geometry to two equivalent Dy(1) and two equivalent Ni(1) atoms. In the third O site, O(1) is bonded in a 3-coordinate geometry to one Sm(1) and two equivalent Ni(1) atoms. In the fourth O site, O(2) is bonded in a 3-coordinate geometry to one Dy(1) and two equivalent Ni(1) atoms. In the fifth O site, O(3) is bonded in a square co-planar geometry to two equivalent Sm(1) and two equivalent Ni(1) atoms. In the sixth O site, O(4) is bonded in a square co-planar geometry to two equivalent Dy(1) and two equivalent Ni(1) atoms. In the seventh O site, O(4) is bonded in a square co-planar geometry to two equivalent Dy(1) and two equivalent Ni(1) atoms. is represented by the CIF file [CIF]
data_SmDy(NiO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.141
_cell_length_b   5.141
_cell_length_c   7.944
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.138
_symmetry_Int_Tables_number   1
_cell_volume   209.983
_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
  Sm  Sm0  1  0.000  0.000  0.000  1.0
  Dy  Dy1  1  0.500  0.500  0.500  1.0
  Ni  Ni2  1  0.000  0.500  0.251  1.0
  Ni  Ni3  1  0.000  0.500  0.749  1.0
  Ni  Ni4  1  0.500  0.000  0.749  1.0
  Ni  Ni5  1  0.500  0.000  0.251  1.0
  O  O6  1  0.180  0.180  0.750  1.0
  O  O7  1  0.180  0.180  0.250  1.0
  O  O8  1  0.820  0.820  0.250  1.0
  O  O9  1  0.820  0.820  0.750  1.0
  O  O10  1  0.677  0.323  0.258  1.0
  O  O11  1  0.677  0.323  0.742  1.0
  O  O12  1  0.323  0.677  0.258  1.0
  O  O13  1  0.323  0.677  0.742  1.0
  O  O14  1  0.000  0.500  0.000  1.0
  O  O15  1  0.000  0.500  0.500  1.0
  O  O16  1  0.500  0.000  0.000  1.0
  O  O17  1  0.500  0.000  0.500  1.0
[/CIF]
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