The material described by ErNiO3 is Orthorhombic Perovskite structured and crystallizes in the monoclinic P2_1/c space group. Er(1) is bonded in a 8-coordinate geometry to two equivalent O(1), three equivalent O(2), and three equivalent O(3) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form corner-sharing NiO6 octahedra. The corner-sharing octahedral tilt angles range from 34-35°. In the second Ni site, Ni(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form corner-sharing NiO6 octahedra. The corner-sharing octahedral tilt angles range from 34-35°. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Er(1), one Ni(1), and one Ni(2) atom to form distorted corner-sharing OEr2Ni2 trigonal pyramids. In the second O site, O(2) is bonded in a 5-coordinate geometry to three equivalent Er(1), one Ni(1), and one Ni(2) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to three equivalent Er(1), one Ni(1), and one Ni(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_ErNiO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.559
_cell_length_b   5.181
_cell_length_c   9.058
_cell_angle_alpha   55.065
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   213.895
_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
  Er  Er0  1  0.576  0.728  0.751  1.0
  Er  Er1  1  0.924  0.728  0.251  1.0
  Er  Er2  1  0.424  0.272  0.249  1.0
  Er  Er3  1  0.076  0.272  0.749  1.0
  Ni  Ni4  1  0.500  0.500  0.500  1.0
  Ni  Ni5  1  0.000  0.500  0.000  1.0
  Ni  Ni6  1  0.500  0.000  0.000  1.0
  Ni  Ni7  1  0.000  0.000  0.500  1.0
  O  O8  1  0.965  0.863  0.745  1.0
  O  O9  1  0.535  0.863  0.245  1.0
  O  O10  1  0.035  0.137  0.255  1.0
  O  O11  1  0.465  0.137  0.755  1.0
  O  O12  1  0.811  0.646  0.552  1.0
  O  O13  1  0.689  0.646  0.052  1.0
  O  O14  1  0.189  0.354  0.448  1.0
  O  O15  1  0.311  0.354  0.948  1.0
  O  O16  1  0.702  0.243  0.443  1.0
  O  O17  1  0.798  0.243  0.943  1.0
  O  O18  1  0.298  0.757  0.557  1.0
  O  O19  1  0.202  0.757  0.057  1.0
[/CIF]
.
The material described by ErNiO3 is Orthorhombic Perovskite structured and crystallizes in the monoclinic P2_1/c space group. Er(1) is bonded in a 8-coordinate geometry to two equivalent O(1), three equivalent O(2), and three equivalent O(3) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form corner-sharing NiO6 octahedra. The corner-sharing octahedral tilt angles range from 34-35°. In the second Ni site, Ni(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form corner-sharing NiO6 octahedra. The corner-sharing octahedral tilt angles range from 34-35°. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Er(1), one Ni(1), and one Ni(2) atom to form distorted corner-sharing OEr2Ni2 trigonal pyramids. In the second O site, O(2) is bonded in a 5-coordinate geometry to three equivalent Er(1), one Ni(1), and one Ni(2) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to three equivalent Er(1), one Ni(1), and one Ni(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_ErNiO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.559
_cell_length_b   5.181
_cell_length_c   9.058
_cell_angle_alpha   55.065
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   213.895
_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
  Er  Er0  1  0.576  0.728  0.751  1.0
  Er  Er1  1  0.924  0.728  0.251  1.0
  Er  Er2  1  0.424  0.272  0.249  1.0
  Er  Er3  1  0.076  0.272  0.749  1.0
  Ni  Ni4  1  0.500  0.500  0.500  1.0
  Ni  Ni5  1  0.000  0.500  0.000  1.0
  Ni  Ni6  1  0.500  0.000  0.000  1.0
  Ni  Ni7  1  0.000  0.000  0.500  1.0
  O  O8  1  0.965  0.863  0.745  1.0
  O  O9  1  0.535  0.863  0.245  1.0
  O  O10  1  0.035  0.137  0.255  1.0
  O  O11  1  0.465  0.137  0.755  1.0
  O  O12  1  0.811  0.646  0.552  1.0
  O  O13  1  0.689  0.646  0.052  1.0
  O  O14  1  0.189  0.354  0.448  1.0
  O  O15  1  0.311  0.354  0.948  1.0
  O  O16  1  0.702  0.243  0.443  1.0
  O  O17  1  0.798  0.243  0.943  1.0
  O  O18  1  0.298  0.757  0.557  1.0
  O  O19  1  0.202  0.757  0.057  1.0
[/CIF]
.