The structure described by CaHo(NiO3)2 is Orthorhombic Perovskite-derived structured and crystallizes in the orthorhombic Pmn2_1 space group. Ca(1) is bonded in a 8-coordinate geometry to one O(1), one O(4), two equivalent O(3), and four equivalent O(2) atoms. Ho(1) is bonded in a 8-coordinate geometry to one O(1), one O(4), two equivalent O(2), and four equivalent O(3) atoms. Ni(1) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms to form corner-sharing NiO6 octahedra. The corner-sharing octahedral tilt angles range from 27-33°. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Ca(1), one Ho(1), and two equivalent Ni(1) atoms to form distorted corner-sharing OCaHoNi2 tetrahedra. In the second O site, O(2) is bonded in a 5-coordinate geometry to two equivalent Ca(1), one Ho(1), and two equivalent Ni(1) atoms. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Ca(1), two equivalent Ho(1), and two equivalent Ni(1) atoms. In the fourth O site, O(4) is bonded to one Ca(1), one Ho(1), and two equivalent Ni(1) atoms to form distorted corner-sharing OCaHoNi2 tetrahedra. is represented by the CIF card [CIF]
data_CaHo(NiO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.276
_cell_length_b   5.481
_cell_length_c   7.436
_cell_angle_alpha   90.006
_cell_angle_beta   90.000
_cell_angle_gamma   90.001
_symmetry_Int_Tables_number   1
_cell_volume   215.056
_cell_formula_units_Z   2
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
  Ca  Ca0  1  0.487  0.441  0.750  1.0
  Ca  Ca1  1  0.987  0.059  0.250  1.0
  Ho  Ho2  1  0.019  0.933  0.750  1.0
  Ho  Ho3  1  0.519  0.567  0.250  1.0
  Ni  Ni4  1  0.001  0.495  0.000  1.0
  Ni  Ni5  1  0.001  0.495  0.500  1.0
  Ni  Ni6  1  0.501  0.005  0.500  1.0
  Ni  Ni7  1  0.501  0.005  1.000  1.0
  O  O8  1  0.102  0.477  0.250  1.0
  O  O9  1  0.195  0.198  0.951  1.0
  O  O10  1  0.195  0.198  0.549  1.0
  O  O11  1  0.292  0.712  0.953  1.0
  O  O12  1  0.292  0.712  0.546  1.0
  O  O13  1  0.415  0.968  0.250  1.0
  O  O14  1  0.603  0.023  0.750  1.0
  O  O15  1  0.695  0.302  0.451  1.0
  O  O16  1  0.695  0.302  0.049  1.0
  O  O17  1  0.792  0.788  0.047  1.0
  O  O18  1  0.792  0.788  0.453  1.0
  O  O19  1  0.915  0.532  0.750  1.0
[/CIF]
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The structure described by CaHo(NiO3)2 is Orthorhombic Perovskite-derived structured and crystallizes in the orthorhombic Pmn2_1 space group. Ca(1) is bonded in a 8-coordinate geometry to one O(1), one O(4), two equivalent O(3), and four equivalent O(2) atoms. Ho(1) is bonded in a 8-coordinate geometry to one O(1), one O(4), two equivalent O(2), and four equivalent O(3) atoms. Ni(1) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms to form corner-sharing NiO6 octahedra. The corner-sharing octahedral tilt angles range from 27-33°. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Ca(1), one Ho(1), and two equivalent Ni(1) atoms to form distorted corner-sharing OCaHoNi2 tetrahedra. In the second O site, O(2) is bonded in a 5-coordinate geometry to two equivalent Ca(1), one Ho(1), and two equivalent Ni(1) atoms. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Ca(1), two equivalent Ho(1), and two equivalent Ni(1) atoms. In the fourth O site, O(4) is bonded to one Ca(1), one Ho(1), and two equivalent Ni(1) atoms to form distorted corner-sharing OCaHoNi2 tetrahedra. is represented by the CIF card [CIF]
data_CaHo(NiO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.276
_cell_length_b   5.481
_cell_length_c   7.436
_cell_angle_alpha   90.006
_cell_angle_beta   90.000
_cell_angle_gamma   90.001
_symmetry_Int_Tables_number   1
_cell_volume   215.056
_cell_formula_units_Z   2
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
  Ca  Ca0  1  0.487  0.441  0.750  1.0
  Ca  Ca1  1  0.987  0.059  0.250  1.0
  Ho  Ho2  1  0.019  0.933  0.750  1.0
  Ho  Ho3  1  0.519  0.567  0.250  1.0
  Ni  Ni4  1  0.001  0.495  0.000  1.0
  Ni  Ni5  1  0.001  0.495  0.500  1.0
  Ni  Ni6  1  0.501  0.005  0.500  1.0
  Ni  Ni7  1  0.501  0.005  1.000  1.0
  O  O8  1  0.102  0.477  0.250  1.0
  O  O9  1  0.195  0.198  0.951  1.0
  O  O10  1  0.195  0.198  0.549  1.0
  O  O11  1  0.292  0.712  0.953  1.0
  O  O12  1  0.292  0.712  0.546  1.0
  O  O13  1  0.415  0.968  0.250  1.0
  O  O14  1  0.603  0.023  0.750  1.0
  O  O15  1  0.695  0.302  0.451  1.0
  O  O16  1  0.695  0.302  0.049  1.0
  O  O17  1  0.792  0.788  0.047  1.0
  O  O18  1  0.792  0.788  0.453  1.0
  O  O19  1  0.915  0.532  0.750  1.0
[/CIF]
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