The compound described by NpOsO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. Np(1) is bonded to twelve equivalent O(1) atoms to form NpO12 cuboctahedra that share corners with twelve equivalent Np(1)O12 cuboctahedra, faces with six equivalent Np(1)O12 cuboctahedra, and faces with eight equivalent Os(1)O6 octahedra. Os(1) is bonded to six equivalent O(1) atoms to form OsO6 octahedra that share corners with six equivalent Os(1)O6 octahedra and faces with eight equivalent Np(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. O(1) is bonded to four equivalent Np(1) and two equivalent Os(1) atoms to form a mixture of distorted edge, corner, and face-sharing ONp4Os2 octahedra. The corner-sharing octahedral tilt angles range from 0-60°. is represented by the Crystallographic Information File (CIF) [CIF]
data_NpOsO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.983
_cell_length_b   3.983
_cell_length_c   3.983
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   63.208
_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
  Np  Np0  1  0.500  0.500  0.500  1.0
  Os  Os1  1  0.000  0.000  0.000  1.0
  O  O2  1  0.000  0.000  0.500  1.0
  O  O3  1  0.000  0.500  0.000  1.0
  O  O4  1  0.500  0.000  0.000  1.0
[/CIF]
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The compound described by NpOsO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. Np(1) is bonded to twelve equivalent O(1) atoms to form NpO12 cuboctahedra that share corners with twelve equivalent Np(1)O12 cuboctahedra, faces with six equivalent Np(1)O12 cuboctahedra, and faces with eight equivalent Os(1)O6 octahedra. Os(1) is bonded to six equivalent O(1) atoms to form OsO6 octahedra that share corners with six equivalent Os(1)O6 octahedra and faces with eight equivalent Np(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. O(1) is bonded to four equivalent Np(1) and two equivalent Os(1) atoms to form a mixture of distorted edge, corner, and face-sharing ONp4Os2 octahedra. The corner-sharing octahedral tilt angles range from 0-60°. is represented by the Crystallographic Information File (CIF) [CIF]
data_NpOsO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.983
_cell_length_b   3.983
_cell_length_c   3.983
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   63.208
_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
  Np  Np0  1  0.500  0.500  0.500  1.0
  Os  Os1  1  0.000  0.000  0.000  1.0
  O  O2  1  0.000  0.000  0.500  1.0
  O  O3  1  0.000  0.500  0.000  1.0
  O  O4  1  0.500  0.000  0.000  1.0
[/CIF]
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