The material described by KSm(NiO3)4 crystallizes in the orthorhombic Amm2 space group. K(1) is bonded to two equivalent O(2), two equivalent O(3), four equivalent O(1), and four equivalent O(4) atoms to form distorted KO12 cuboctahedra that share corners with four equivalent K(1)O12 cuboctahedra, corners with eight equivalent Sm(1)O10 cuboctahedra, and faces with eight equivalent Ni(1)O6 octahedra. Sm(1) is bonded to two equivalent O(2), two equivalent O(3), two equivalent O(5), and four equivalent O(1) atoms to form distorted SmO10 cuboctahedra that share corners with eight equivalent K(1)O12 cuboctahedra, edges with four equivalent Ni(1)O6 octahedra, and faces with four equivalent Ni(1)O6 octahedra. Ni(1) is bonded to one O(2), one O(3), one O(4), one O(5), and two equivalent O(1) atoms to form NiO6 octahedra that share corners with six equivalent Ni(1)O6 octahedra,  an edgeedge with one Sm(1)O10 cuboctahedra,  a faceface with one Sm(1)O10 cuboctahedra, and faces with two equivalent K(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 6-21°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one K(1), one Sm(1), and two equivalent Ni(1) atoms. In the second O site, O(2) is bonded in a 3-coordinate geometry to one K(1), one Sm(1), and two equivalent Ni(1) atoms. In the third O site, O(3) is bonded in a distorted square co-planar geometry to one K(1), one Sm(1), and two equivalent Ni(1) atoms. In the fourth O site, O(4) is bonded in a distorted square co-planar geometry to two equivalent K(1) and two equivalent Ni(1) atoms. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Sm(1) and two equivalent Ni(1) atoms. is represented by the CIF card [CIF]
data_KSm(NiO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.419
_cell_length_b   5.419
_cell_length_c   7.635
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   89.397
_symmetry_Int_Tables_number   1
_cell_volume   224.199
_cell_formula_units_Z   1
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
  K  K0  1  0.010  0.010  0.000  1.0
  Sm  Sm1  1  0.488  0.488  0.500  1.0
  Ni  Ni2  1  0.502  0.997  0.753  1.0
  Ni  Ni3  1  0.502  0.997  0.247  1.0
  Ni  Ni4  1  0.997  0.502  0.247  1.0
  Ni  Ni5  1  0.997  0.502  0.753  1.0
  O  O6  1  0.738  0.261  0.728  1.0
  O  O7  1  0.261  0.738  0.728  1.0
  O  O8  1  0.261  0.738  0.272  1.0
  O  O9  1  0.738  0.261  0.272  1.0
  O  O10  1  0.724  0.724  0.715  1.0
  O  O11  1  0.273  0.273  0.745  1.0
  O  O12  1  0.273  0.273  0.255  1.0
  O  O13  1  0.724  0.724  0.285  1.0
  O  O14  1  0.517  0.986  0.000  1.0
  O  O15  1  0.486  0.027  0.500  1.0
  O  O16  1  0.986  0.517  0.000  1.0
  O  O17  1  0.027  0.486  0.500  1.0
[/CIF]
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The material described by KSm(NiO3)4 crystallizes in the orthorhombic Amm2 space group. K(1) is bonded to two equivalent O(2), two equivalent O(3), four equivalent O(1), and four equivalent O(4) atoms to form distorted KO12 cuboctahedra that share corners with four equivalent K(1)O12 cuboctahedra, corners with eight equivalent Sm(1)O10 cuboctahedra, and faces with eight equivalent Ni(1)O6 octahedra. Sm(1) is bonded to two equivalent O(2), two equivalent O(3), two equivalent O(5), and four equivalent O(1) atoms to form distorted SmO10 cuboctahedra that share corners with eight equivalent K(1)O12 cuboctahedra, edges with four equivalent Ni(1)O6 octahedra, and faces with four equivalent Ni(1)O6 octahedra. Ni(1) is bonded to one O(2), one O(3), one O(4), one O(5), and two equivalent O(1) atoms to form NiO6 octahedra that share corners with six equivalent Ni(1)O6 octahedra,  an edgeedge with one Sm(1)O10 cuboctahedra,  a faceface with one Sm(1)O10 cuboctahedra, and faces with two equivalent K(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 6-21°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one K(1), one Sm(1), and two equivalent Ni(1) atoms. In the second O site, O(2) is bonded in a 3-coordinate geometry to one K(1), one Sm(1), and two equivalent Ni(1) atoms. In the third O site, O(3) is bonded in a distorted square co-planar geometry to one K(1), one Sm(1), and two equivalent Ni(1) atoms. In the fourth O site, O(4) is bonded in a distorted square co-planar geometry to two equivalent K(1) and two equivalent Ni(1) atoms. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Sm(1) and two equivalent Ni(1) atoms. is represented by the CIF card [CIF]
data_KSm(NiO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.419
_cell_length_b   5.419
_cell_length_c   7.635
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   89.397
_symmetry_Int_Tables_number   1
_cell_volume   224.199
_cell_formula_units_Z   1
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
  K  K0  1  0.010  0.010  0.000  1.0
  Sm  Sm1  1  0.488  0.488  0.500  1.0
  Ni  Ni2  1  0.502  0.997  0.753  1.0
  Ni  Ni3  1  0.502  0.997  0.247  1.0
  Ni  Ni4  1  0.997  0.502  0.247  1.0
  Ni  Ni5  1  0.997  0.502  0.753  1.0
  O  O6  1  0.738  0.261  0.728  1.0
  O  O7  1  0.261  0.738  0.728  1.0
  O  O8  1  0.261  0.738  0.272  1.0
  O  O9  1  0.738  0.261  0.272  1.0
  O  O10  1  0.724  0.724  0.715  1.0
  O  O11  1  0.273  0.273  0.745  1.0
  O  O12  1  0.273  0.273  0.255  1.0
  O  O13  1  0.724  0.724  0.285  1.0
  O  O14  1  0.517  0.986  0.000  1.0
  O  O15  1  0.486  0.027  0.500  1.0
  O  O16  1  0.986  0.517  0.000  1.0
  O  O17  1  0.027  0.486  0.500  1.0
[/CIF]
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