The compound described by SrDy(NiO3)4 crystallizes in the orthorhombic Cmmm space group. Sr(1) is bonded to four equivalent O(1), four equivalent O(2), and four equivalent O(3) atoms to form SrO12 cuboctahedra that share corners with four equivalent Sr(1)O12 cuboctahedra, corners with eight equivalent Dy(1)O12 cuboctahedra, and faces with eight equivalent Ni(1)O6 octahedra. Dy(1) is bonded to four equivalent O(1), four equivalent O(2), and four equivalent O(4) atoms to form DyO12 cuboctahedra that share corners with four equivalent Dy(1)O12 cuboctahedra, corners with eight equivalent Sr(1)O12 cuboctahedra, and faces with eight equivalent Ni(1)O6 octahedra. Ni(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form NiO6 octahedra that share corners with six equivalent Ni(1)O6 octahedra, faces with two equivalent Sr(1)O12 cuboctahedra, and faces with two equivalent Dy(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-16°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted square co-planar geometry to one Sr(1), one Dy(1), and two equivalent Ni(1) atoms. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Sr(1), one Dy(1), and two equivalent Ni(1) atoms. In the third O site, O(3) is bonded in a distorted square co-planar geometry to two equivalent Sr(1) and two equivalent Ni(1) atoms. In the fourth O site, O(4) is bonded in a distorted linear geometry to two equivalent Dy(1) and two equivalent Ni(1) atoms. is represented by the CIF card [CIF]
data_SrDy(NiO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.378
_cell_length_b   5.378
_cell_length_c   7.594
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.980
_symmetry_Int_Tables_number   1
_cell_volume   219.608
_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
  Sr  Sr0  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  0.250  1.0
  Ni  Ni3  1  0.000  0.500  0.750  1.0
  Ni  Ni4  1  0.500  0.000  0.250  1.0
  Ni  Ni5  1  0.500  0.000  0.750  1.0
  O  O6  1  0.253  0.253  0.266  1.0
  O  O7  1  0.253  0.253  0.734  1.0
  O  O8  1  0.747  0.747  0.266  1.0
  O  O9  1  0.747  0.747  0.734  1.0
  O  O10  1  0.723  0.277  0.271  1.0
  O  O11  1  0.723  0.277  0.729  1.0
  O  O12  1  0.277  0.723  0.729  1.0
  O  O13  1  0.277  0.723  0.271  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 SrDy(NiO3)4 crystallizes in the orthorhombic Cmmm space group. Sr(1) is bonded to four equivalent O(1), four equivalent O(2), and four equivalent O(3) atoms to form SrO12 cuboctahedra that share corners with four equivalent Sr(1)O12 cuboctahedra, corners with eight equivalent Dy(1)O12 cuboctahedra, and faces with eight equivalent Ni(1)O6 octahedra. Dy(1) is bonded to four equivalent O(1), four equivalent O(2), and four equivalent O(4) atoms to form DyO12 cuboctahedra that share corners with four equivalent Dy(1)O12 cuboctahedra, corners with eight equivalent Sr(1)O12 cuboctahedra, and faces with eight equivalent Ni(1)O6 octahedra. Ni(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form NiO6 octahedra that share corners with six equivalent Ni(1)O6 octahedra, faces with two equivalent Sr(1)O12 cuboctahedra, and faces with two equivalent Dy(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-16°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted square co-planar geometry to one Sr(1), one Dy(1), and two equivalent Ni(1) atoms. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Sr(1), one Dy(1), and two equivalent Ni(1) atoms. In the third O site, O(3) is bonded in a distorted square co-planar geometry to two equivalent Sr(1) and two equivalent Ni(1) atoms. In the fourth O site, O(4) is bonded in a distorted linear geometry to two equivalent Dy(1) and two equivalent Ni(1) atoms. is represented by the CIF card [CIF]
data_SrDy(NiO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.378
_cell_length_b   5.378
_cell_length_c   7.594
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.980
_symmetry_Int_Tables_number   1
_cell_volume   219.608
_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
  Sr  Sr0  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  0.250  1.0
  Ni  Ni3  1  0.000  0.500  0.750  1.0
  Ni  Ni4  1  0.500  0.000  0.250  1.0
  Ni  Ni5  1  0.500  0.000  0.750  1.0
  O  O6  1  0.253  0.253  0.266  1.0
  O  O7  1  0.253  0.253  0.734  1.0
  O  O8  1  0.747  0.747  0.266  1.0
  O  O9  1  0.747  0.747  0.734  1.0
  O  O10  1  0.723  0.277  0.271  1.0
  O  O11  1  0.723  0.277  0.729  1.0
  O  O12  1  0.277  0.723  0.729  1.0
  O  O13  1  0.277  0.723  0.271  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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