The material structure described by Nd4Ni3O10 is Orthorhombic Perovskite-like structured and crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 7-coordinate geometry to two equivalent O(1), two equivalent O(3), and three equivalent O(4) atoms. In the second Nd site, Nd(2) is bonded in a 8-coordinate geometry to two equivalent O(3), two equivalent O(5), and four equivalent O(2) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(5) atoms to form corner-sharing NiO6 octahedra. The corner-sharing octahedral tilt angles range from 15-26°. In the second Ni site, Ni(2) is bonded to two equivalent O(1) and four equivalent O(4) atoms to form corner-sharing NiO6 octahedra. The corner-sharing octahedral tilt angles range from 26-28°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Nd(1), one Ni(1), and one Ni(2) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to four equivalent Nd(2) and one Ni(1) atom. In the third O site, O(3) is bonded to two equivalent Nd(1), two equivalent Nd(2), and two equivalent Ni(1) atoms to form distorted face-sharing ONd4Ni2 octahedra. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to three equivalent Nd(1) and two equivalent Ni(2) atoms. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to two equivalent Nd(2) and two equivalent Ni(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Nd4Ni3O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.527
_cell_length_b   5.446
_cell_length_c   14.084
_cell_angle_alpha   79.493
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   416.769
_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
  Nd  Nd0  1  0.507  0.889  0.137  1.0
  Nd  Nd1  1  0.493  0.111  0.863  1.0
  Nd  Nd2  1  0.984  0.307  0.400  1.0
  Nd  Nd3  1  0.993  0.389  0.137  1.0
  Nd  Nd4  1  0.516  0.807  0.400  1.0
  Nd  Nd5  1  0.016  0.693  0.600  1.0
  Nd  Nd6  1  0.484  0.193  0.600  1.0
  Nd  Nd7  1  0.007  0.611  0.863  1.0
  Ni  Ni8  1  0.004  0.852  0.280  1.0
  Ni  Ni9  1  0.996  0.148  0.720  1.0
  Ni  Ni10  1  0.504  0.648  0.720  1.0
  Ni  Ni11  1  0.500  0.500  0.000  1.0
  Ni  Ni12  1  0.496  0.352  0.280  1.0
  Ni  Ni13  1  0.000  0.000  0.000  1.0
  O  O14  1  0.083  0.945  0.137  1.0
  O  O15  1  0.062  0.230  0.565  1.0
  O  O16  1  0.438  0.730  0.565  1.0
  O  O17  1  0.562  0.270  0.435  1.0
  O  O18  1  0.583  0.555  0.863  1.0
  O  O19  1  0.417  0.445  0.137  1.0
  O  O20  1  0.262  0.902  0.738  1.0
  O  O21  1  0.787  0.693  0.025  1.0
  O  O22  1  0.713  0.193  0.025  1.0
  O  O23  1  0.761  0.898  0.696  1.0
  O  O24  1  0.762  0.598  0.262  1.0
  O  O25  1  0.238  0.402  0.738  1.0
  O  O26  1  0.938  0.770  0.435  1.0
  O  O27  1  0.917  0.055  0.863  1.0
  O  O28  1  0.239  0.102  0.304  1.0
  O  O29  1  0.213  0.307  0.975  1.0
  O  O30  1  0.287  0.807  0.975  1.0
  O  O31  1  0.261  0.602  0.304  1.0
  O  O32  1  0.739  0.398  0.696  1.0
  O  O33  1  0.738  0.098  0.262  1.0
[/CIF]
.
The material structure described by Nd4Ni3O10 is Orthorhombic Perovskite-like structured and crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 7-coordinate geometry to two equivalent O(1), two equivalent O(3), and three equivalent O(4) atoms. In the second Nd site, Nd(2) is bonded in a 8-coordinate geometry to two equivalent O(3), two equivalent O(5), and four equivalent O(2) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(5) atoms to form corner-sharing NiO6 octahedra. The corner-sharing octahedral tilt angles range from 15-26°. In the second Ni site, Ni(2) is bonded to two equivalent O(1) and four equivalent O(4) atoms to form corner-sharing NiO6 octahedra. The corner-sharing octahedral tilt angles range from 26-28°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Nd(1), one Ni(1), and one Ni(2) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to four equivalent Nd(2) and one Ni(1) atom. In the third O site, O(3) is bonded to two equivalent Nd(1), two equivalent Nd(2), and two equivalent Ni(1) atoms to form distorted face-sharing ONd4Ni2 octahedra. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to three equivalent Nd(1) and two equivalent Ni(2) atoms. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to two equivalent Nd(2) and two equivalent Ni(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Nd4Ni3O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.527
_cell_length_b   5.446
_cell_length_c   14.084
_cell_angle_alpha   79.493
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   416.769
_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
  Nd  Nd0  1  0.507  0.889  0.137  1.0
  Nd  Nd1  1  0.493  0.111  0.863  1.0
  Nd  Nd2  1  0.984  0.307  0.400  1.0
  Nd  Nd3  1  0.993  0.389  0.137  1.0
  Nd  Nd4  1  0.516  0.807  0.400  1.0
  Nd  Nd5  1  0.016  0.693  0.600  1.0
  Nd  Nd6  1  0.484  0.193  0.600  1.0
  Nd  Nd7  1  0.007  0.611  0.863  1.0
  Ni  Ni8  1  0.004  0.852  0.280  1.0
  Ni  Ni9  1  0.996  0.148  0.720  1.0
  Ni  Ni10  1  0.504  0.648  0.720  1.0
  Ni  Ni11  1  0.500  0.500  0.000  1.0
  Ni  Ni12  1  0.496  0.352  0.280  1.0
  Ni  Ni13  1  0.000  0.000  0.000  1.0
  O  O14  1  0.083  0.945  0.137  1.0
  O  O15  1  0.062  0.230  0.565  1.0
  O  O16  1  0.438  0.730  0.565  1.0
  O  O17  1  0.562  0.270  0.435  1.0
  O  O18  1  0.583  0.555  0.863  1.0
  O  O19  1  0.417  0.445  0.137  1.0
  O  O20  1  0.262  0.902  0.738  1.0
  O  O21  1  0.787  0.693  0.025  1.0
  O  O22  1  0.713  0.193  0.025  1.0
  O  O23  1  0.761  0.898  0.696  1.0
  O  O24  1  0.762  0.598  0.262  1.0
  O  O25  1  0.238  0.402  0.738  1.0
  O  O26  1  0.938  0.770  0.435  1.0
  O  O27  1  0.917  0.055  0.863  1.0
  O  O28  1  0.239  0.102  0.304  1.0
  O  O29  1  0.213  0.307  0.975  1.0
  O  O30  1  0.287  0.807  0.975  1.0
  O  O31  1  0.261  0.602  0.304  1.0
  O  O32  1  0.739  0.398  0.696  1.0
  O  O33  1  0.738  0.098  0.262  1.0
[/CIF]
.