The compound described by NpAg3 is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. Np(1) is bonded to four equivalent Ag(2) and eight equivalent Ag(1) atoms to form NpAg12 cuboctahedra that share corners with four equivalent Np(1)Ag12 cuboctahedra, corners with eight equivalent Ag(2)Np4Ag8 cuboctahedra, edges with eight equivalent Np(1)Ag12 cuboctahedra, edges with sixteen equivalent Ag(1)Np4Ag8 cuboctahedra, faces with four equivalent Np(1)Ag12 cuboctahedra, faces with six equivalent Ag(2)Np4Ag8 cuboctahedra, and faces with eight equivalent Ag(1)Np4Ag8 cuboctahedra. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded to four equivalent Np(1), four equivalent Ag(1), and four equivalent Ag(2) atoms to form distorted AgNp4Ag8 cuboctahedra that share corners with twelve equivalent Ag(1)Np4Ag8 cuboctahedra, edges with eight equivalent Np(1)Ag12 cuboctahedra, edges with eight equivalent Ag(1)Np4Ag8 cuboctahedra, edges with eight equivalent Ag(2)Np4Ag8 cuboctahedra, faces with four equivalent Np(1)Ag12 cuboctahedra, faces with four equivalent Ag(2)Np4Ag8 cuboctahedra, and faces with ten equivalent Ag(1)Np4Ag8 cuboctahedra. In the second Ag site, Ag(2) is bonded to four equivalent Np(1) and eight equivalent Ag(1) atoms to form AgNp4Ag8 cuboctahedra that share corners with four equivalent Ag(2)Np4Ag8 cuboctahedra, corners with eight equivalent Np(1)Ag12 cuboctahedra, edges with eight equivalent Ag(2)Np4Ag8 cuboctahedra, edges with sixteen equivalent Ag(1)Np4Ag8 cuboctahedra, faces with four equivalent Ag(2)Np4Ag8 cuboctahedra, faces with six equivalent Np(1)Ag12 cuboctahedra, and faces with eight equivalent Ag(1)Np4Ag8 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_NpAg3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.329
_cell_length_b   5.329
_cell_length_c   5.329
_cell_angle_alpha   129.804
_cell_angle_beta   129.804
_cell_angle_gamma   73.721
_symmetry_Int_Tables_number   1
_cell_volume   87.142
_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  0.000  0.000  0.000  1.0
  Ag  Ag1  1  0.750  0.250  0.500  1.0
  Ag  Ag2  1  0.250  0.750  0.500  1.0
  Ag  Ag3  1  0.500  0.500  0.000  1.0
[/CIF]
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The compound described by NpAg3 is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. Np(1) is bonded to four equivalent Ag(2) and eight equivalent Ag(1) atoms to form NpAg12 cuboctahedra that share corners with four equivalent Np(1)Ag12 cuboctahedra, corners with eight equivalent Ag(2)Np4Ag8 cuboctahedra, edges with eight equivalent Np(1)Ag12 cuboctahedra, edges with sixteen equivalent Ag(1)Np4Ag8 cuboctahedra, faces with four equivalent Np(1)Ag12 cuboctahedra, faces with six equivalent Ag(2)Np4Ag8 cuboctahedra, and faces with eight equivalent Ag(1)Np4Ag8 cuboctahedra. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded to four equivalent Np(1), four equivalent Ag(1), and four equivalent Ag(2) atoms to form distorted AgNp4Ag8 cuboctahedra that share corners with twelve equivalent Ag(1)Np4Ag8 cuboctahedra, edges with eight equivalent Np(1)Ag12 cuboctahedra, edges with eight equivalent Ag(1)Np4Ag8 cuboctahedra, edges with eight equivalent Ag(2)Np4Ag8 cuboctahedra, faces with four equivalent Np(1)Ag12 cuboctahedra, faces with four equivalent Ag(2)Np4Ag8 cuboctahedra, and faces with ten equivalent Ag(1)Np4Ag8 cuboctahedra. In the second Ag site, Ag(2) is bonded to four equivalent Np(1) and eight equivalent Ag(1) atoms to form AgNp4Ag8 cuboctahedra that share corners with four equivalent Ag(2)Np4Ag8 cuboctahedra, corners with eight equivalent Np(1)Ag12 cuboctahedra, edges with eight equivalent Ag(2)Np4Ag8 cuboctahedra, edges with sixteen equivalent Ag(1)Np4Ag8 cuboctahedra, faces with four equivalent Ag(2)Np4Ag8 cuboctahedra, faces with six equivalent Np(1)Ag12 cuboctahedra, and faces with eight equivalent Ag(1)Np4Ag8 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_NpAg3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.329
_cell_length_b   5.329
_cell_length_c   5.329
_cell_angle_alpha   129.804
_cell_angle_beta   129.804
_cell_angle_gamma   73.721
_symmetry_Int_Tables_number   1
_cell_volume   87.142
_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  0.000  0.000  0.000  1.0
  Ag  Ag1  1  0.750  0.250  0.500  1.0
  Ag  Ag2  1  0.250  0.750  0.500  1.0
  Ag  Ag3  1  0.500  0.500  0.000  1.0
[/CIF]
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