The crystal structure described by Sm2Ni2O5 crystallizes in the orthorhombic Ima2 space group. Sm(1) is bonded in a 8-coordinate geometry to one O(3), three equivalent O(2), and four equivalent O(1) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form NiO6 octahedra that share corners with four equivalent Ni(1)O6 octahedra and corners with two equivalent Ni(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 20°. In the second Ni site, Ni(2) is bonded to two equivalent O(2) and two equivalent O(3) atoms to form NiO4 tetrahedra that share corners with two equivalent Ni(1)O6 octahedra and corners with two equivalent Ni(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 41°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to four equivalent Sm(1) and two equivalent Ni(1) atoms. In the second O site, O(2) is bonded in a 4-coordinate geometry to three equivalent Sm(1), one Ni(1), and one Ni(2) atom. In the third O site, O(3) is bonded to two equivalent Sm(1) and two equivalent Ni(2) atoms to form corner-sharing OSm2Ni2 tetrahedra. is represented by the CIF card [CIF]
data_Sm2Ni2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.605
_cell_length_b   8.605
_cell_length_c   8.605
_cell_angle_alpha   143.695
_cell_angle_beta   141.504
_cell_angle_gamma   53.948
_symmetry_Int_Tables_number   1
_cell_volume   233.253
_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
  Sm  Sm0  1  0.873  0.392  0.483  1.0
  Sm  Sm1  1  0.127  0.610  0.520  1.0
  Sm  Sm2  1  0.410  0.892  0.520  1.0
  Sm  Sm3  1  0.590  0.110  0.483  1.0
  Ni  Ni4  1  0.000  0.987  0.987  1.0
  Ni  Ni5  1  0.500  0.487  0.987  1.0
  Ni  Ni6  1  0.806  0.784  0.091  1.0
  Ni  Ni7  1  0.194  0.284  0.978  1.0
  O  O8  1  0.764  0.768  0.487  1.0
  O  O9  1  0.236  0.723  0.004  1.0
  O  O10  1  0.781  0.268  0.004  1.0
  O  O11  1  0.219  0.223  0.487  1.0
  O  O12  1  0.779  0.815  0.870  1.0
  O  O13  1  0.221  0.091  0.036  1.0
  O  O14  1  0.445  0.315  0.036  1.0
  O  O15  1  0.555  0.591  0.870  1.0
  O  O16  1  0.854  0.165  0.519  1.0
  O  O17  1  0.146  0.665  0.311  1.0
[/CIF]
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The crystal structure described by Sm2Ni2O5 crystallizes in the orthorhombic Ima2 space group. Sm(1) is bonded in a 8-coordinate geometry to one O(3), three equivalent O(2), and four equivalent O(1) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form NiO6 octahedra that share corners with four equivalent Ni(1)O6 octahedra and corners with two equivalent Ni(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 20°. In the second Ni site, Ni(2) is bonded to two equivalent O(2) and two equivalent O(3) atoms to form NiO4 tetrahedra that share corners with two equivalent Ni(1)O6 octahedra and corners with two equivalent Ni(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 41°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to four equivalent Sm(1) and two equivalent Ni(1) atoms. In the second O site, O(2) is bonded in a 4-coordinate geometry to three equivalent Sm(1), one Ni(1), and one Ni(2) atom. In the third O site, O(3) is bonded to two equivalent Sm(1) and two equivalent Ni(2) atoms to form corner-sharing OSm2Ni2 tetrahedra. is represented by the CIF card [CIF]
data_Sm2Ni2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.605
_cell_length_b   8.605
_cell_length_c   8.605
_cell_angle_alpha   143.695
_cell_angle_beta   141.504
_cell_angle_gamma   53.948
_symmetry_Int_Tables_number   1
_cell_volume   233.253
_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
  Sm  Sm0  1  0.873  0.392  0.483  1.0
  Sm  Sm1  1  0.127  0.610  0.520  1.0
  Sm  Sm2  1  0.410  0.892  0.520  1.0
  Sm  Sm3  1  0.590  0.110  0.483  1.0
  Ni  Ni4  1  0.000  0.987  0.987  1.0
  Ni  Ni5  1  0.500  0.487  0.987  1.0
  Ni  Ni6  1  0.806  0.784  0.091  1.0
  Ni  Ni7  1  0.194  0.284  0.978  1.0
  O  O8  1  0.764  0.768  0.487  1.0
  O  O9  1  0.236  0.723  0.004  1.0
  O  O10  1  0.781  0.268  0.004  1.0
  O  O11  1  0.219  0.223  0.487  1.0
  O  O12  1  0.779  0.815  0.870  1.0
  O  O13  1  0.221  0.091  0.036  1.0
  O  O14  1  0.445  0.315  0.036  1.0
  O  O15  1  0.555  0.591  0.870  1.0
  O  O16  1  0.854  0.165  0.519  1.0
  O  O17  1  0.146  0.665  0.311  1.0
[/CIF]
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