The material described by UAg3 is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. U(1) is bonded in a distorted body-centered cubic geometry to four equivalent Ag(2) and eight equivalent Ag(1) atoms. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded to four equivalent U(1) and four equivalent Ag(2) atoms to form distorted AgU4Ag4 tetrahedra that share corners with eight equivalent Ag(2)U4Ag8 cuboctahedra, corners with eight equivalent Ag(1)U4Ag4 tetrahedra, edges with four equivalent Ag(2)U4Ag8 cuboctahedra, edges with twelve equivalent Ag(1)U4Ag4 tetrahedra, and faces with six equivalent Ag(1)U4Ag4 tetrahedra. In the second Ag site, Ag(2) is bonded to four equivalent U(1) and eight equivalent Ag(1) atoms to form distorted AgU4Ag8 cuboctahedra that share corners with four equivalent Ag(2)U4Ag8 cuboctahedra, corners with sixteen equivalent Ag(1)U4Ag4 tetrahedra, edges with eight equivalent Ag(2)U4Ag8 cuboctahedra, edges with eight equivalent Ag(1)U4Ag4 tetrahedra, and faces with four equivalent Ag(2)U4Ag8 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_UAg3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.070
_cell_length_b   5.070
_cell_length_c   5.070
_cell_angle_alpha   123.603
_cell_angle_beta   123.603
_cell_angle_gamma   83.865
_symmetry_Int_Tables_number   1
_cell_volume   86.575
_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
  U  U0  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 material described by UAg3 is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. U(1) is bonded in a distorted body-centered cubic geometry to four equivalent Ag(2) and eight equivalent Ag(1) atoms. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded to four equivalent U(1) and four equivalent Ag(2) atoms to form distorted AgU4Ag4 tetrahedra that share corners with eight equivalent Ag(2)U4Ag8 cuboctahedra, corners with eight equivalent Ag(1)U4Ag4 tetrahedra, edges with four equivalent Ag(2)U4Ag8 cuboctahedra, edges with twelve equivalent Ag(1)U4Ag4 tetrahedra, and faces with six equivalent Ag(1)U4Ag4 tetrahedra. In the second Ag site, Ag(2) is bonded to four equivalent U(1) and eight equivalent Ag(1) atoms to form distorted AgU4Ag8 cuboctahedra that share corners with four equivalent Ag(2)U4Ag8 cuboctahedra, corners with sixteen equivalent Ag(1)U4Ag4 tetrahedra, edges with eight equivalent Ag(2)U4Ag8 cuboctahedra, edges with eight equivalent Ag(1)U4Ag4 tetrahedra, and faces with four equivalent Ag(2)U4Ag8 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_UAg3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.070
_cell_length_b   5.070
_cell_length_c   5.070
_cell_angle_alpha   123.603
_cell_angle_beta   123.603
_cell_angle_gamma   83.865
_symmetry_Int_Tables_number   1
_cell_volume   86.575
_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
  U  U0  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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