The crystal structure described by MgHo(NiO3)2 crystallizes in the orthorhombic Pmn2_1 space group. Mg(1) is bonded in a 6-coordinate geometry to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) 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 35-42°. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one Ho(1), and two equivalent Ni(1) atoms to form distorted corner-sharing OHoMgNi2 trigonal pyramids. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Mg(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 Mg(1), two equivalent Ho(1), and two equivalent Ni(1) atoms. In the fourth O site, O(4) is bonded to one Mg(1), one Ho(1), and two equivalent Ni(1) atoms to form distorted corner-sharing OHoMgNi2 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_HoMg(NiO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.100
_cell_length_b   5.420
_cell_length_c   7.349
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   203.152
_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
  Ho  Ho0  1  0.020  0.673  0.000  1.0
  Ho  Ho1  1  0.520  0.327  0.500  1.0
  Mg  Mg2  1  0.472  0.178  0.000  1.0
  Mg  Mg3  1  0.972  0.822  0.500  1.0
  Ni  Ni4  1  0.998  0.245  0.750  1.0
  Ni  Ni5  1  0.998  0.245  0.250  1.0
  Ni  Ni6  1  0.498  0.755  0.250  1.0
  Ni  Ni7  1  0.498  0.755  0.750  1.0
  O  O8  1  0.107  0.194  0.500  1.0
  O  O9  1  0.206  0.961  0.817  1.0
  O  O10  1  0.206  0.961  0.183  1.0
  O  O11  1  0.313  0.440  0.808  1.0
  O  O12  1  0.313  0.440  0.192  1.0
  O  O13  1  0.365  0.719  0.500  1.0
  O  O14  1  0.607  0.806  0.000  1.0
  O  O15  1  0.706  0.039  0.317  1.0
  O  O16  1  0.706  0.039  0.683  1.0
  O  O17  1  0.813  0.560  0.692  1.0
  O  O18  1  0.813  0.560  0.308  1.0
  O  O19  1  0.865  0.281  0.000  1.0
[/CIF]
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The crystal structure described by MgHo(NiO3)2 crystallizes in the orthorhombic Pmn2_1 space group. Mg(1) is bonded in a 6-coordinate geometry to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) 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 35-42°. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one Ho(1), and two equivalent Ni(1) atoms to form distorted corner-sharing OHoMgNi2 trigonal pyramids. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Mg(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 Mg(1), two equivalent Ho(1), and two equivalent Ni(1) atoms. In the fourth O site, O(4) is bonded to one Mg(1), one Ho(1), and two equivalent Ni(1) atoms to form distorted corner-sharing OHoMgNi2 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_HoMg(NiO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.100
_cell_length_b   5.420
_cell_length_c   7.349
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   203.152
_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
  Ho  Ho0  1  0.020  0.673  0.000  1.0
  Ho  Ho1  1  0.520  0.327  0.500  1.0
  Mg  Mg2  1  0.472  0.178  0.000  1.0
  Mg  Mg3  1  0.972  0.822  0.500  1.0
  Ni  Ni4  1  0.998  0.245  0.750  1.0
  Ni  Ni5  1  0.998  0.245  0.250  1.0
  Ni  Ni6  1  0.498  0.755  0.250  1.0
  Ni  Ni7  1  0.498  0.755  0.750  1.0
  O  O8  1  0.107  0.194  0.500  1.0
  O  O9  1  0.206  0.961  0.817  1.0
  O  O10  1  0.206  0.961  0.183  1.0
  O  O11  1  0.313  0.440  0.808  1.0
  O  O12  1  0.313  0.440  0.192  1.0
  O  O13  1  0.365  0.719  0.500  1.0
  O  O14  1  0.607  0.806  0.000  1.0
  O  O15  1  0.706  0.039  0.317  1.0
  O  O16  1  0.706  0.039  0.683  1.0
  O  O17  1  0.813  0.560  0.692  1.0
  O  O18  1  0.813  0.560  0.308  1.0
  O  O19  1  0.865  0.281  0.000  1.0
[/CIF]
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