The material described by Sr3Nb is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to four equivalent Sr(2) and four equivalent Nb(1) atoms to form distorted SrSr4Nb4 cuboctahedra that share corners with eight equivalent Sr(1)Sr4Nb4 cuboctahedra, corners with eight equivalent Sr(2)Sr8Nb4 cuboctahedra, corners with eight equivalent Nb(1)Sr12 cuboctahedra, edges with four equivalent Sr(2)Sr8Nb4 cuboctahedra, edges with four equivalent Nb(1)Sr12 cuboctahedra, edges with twelve equivalent Sr(1)Sr4Nb4 cuboctahedra, and faces with six equivalent Sr(1)Sr4Nb4 cuboctahedra. In the second Sr site, Sr(2) is bonded to eight equivalent Sr(1) and four equivalent Nb(1) atoms to form SrSr8Nb4 cuboctahedra that share corners with four equivalent Sr(2)Sr8Nb4 cuboctahedra, corners with eight equivalent Nb(1)Sr12 cuboctahedra, corners with sixteen equivalent Sr(1)Sr4Nb4 cuboctahedra, edges with eight equivalent Sr(1)Sr4Nb4 cuboctahedra, edges with eight equivalent Sr(2)Sr8Nb4 cuboctahedra, faces with four equivalent Sr(2)Sr8Nb4 cuboctahedra, and faces with six equivalent Nb(1)Sr12 cuboctahedra. Nb(1) is bonded to four equivalent Sr(2) and eight equivalent Sr(1) atoms to form NbSr12 cuboctahedra that share corners with four equivalent Nb(1)Sr12 cuboctahedra, corners with eight equivalent Sr(2)Sr8Nb4 cuboctahedra, corners with sixteen equivalent Sr(1)Sr4Nb4 cuboctahedra, edges with eight equivalent Sr(1)Sr4Nb4 cuboctahedra, edges with eight equivalent Nb(1)Sr12 cuboctahedra, faces with four equivalent Nb(1)Sr12 cuboctahedra, and faces with six equivalent Sr(2)Sr8Nb4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr3Nb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.500
_cell_length_b   6.500
_cell_length_c   6.500
_cell_angle_alpha   129.467
_cell_angle_beta   129.467
_cell_angle_gamma   74.260
_symmetry_Int_Tables_number   1
_cell_volume   159.573
_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
  Sr  Sr0  1  0.750  0.250  0.500  1.0
  Sr  Sr1  1  0.250  0.750  0.500  1.0
  Sr  Sr2  1  0.500  0.500  0.000  1.0
  Nb  Nb3  1  0.000  0.000  0.000  1.0
[/CIF]
.
The material described by Sr3Nb is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to four equivalent Sr(2) and four equivalent Nb(1) atoms to form distorted SrSr4Nb4 cuboctahedra that share corners with eight equivalent Sr(1)Sr4Nb4 cuboctahedra, corners with eight equivalent Sr(2)Sr8Nb4 cuboctahedra, corners with eight equivalent Nb(1)Sr12 cuboctahedra, edges with four equivalent Sr(2)Sr8Nb4 cuboctahedra, edges with four equivalent Nb(1)Sr12 cuboctahedra, edges with twelve equivalent Sr(1)Sr4Nb4 cuboctahedra, and faces with six equivalent Sr(1)Sr4Nb4 cuboctahedra. In the second Sr site, Sr(2) is bonded to eight equivalent Sr(1) and four equivalent Nb(1) atoms to form SrSr8Nb4 cuboctahedra that share corners with four equivalent Sr(2)Sr8Nb4 cuboctahedra, corners with eight equivalent Nb(1)Sr12 cuboctahedra, corners with sixteen equivalent Sr(1)Sr4Nb4 cuboctahedra, edges with eight equivalent Sr(1)Sr4Nb4 cuboctahedra, edges with eight equivalent Sr(2)Sr8Nb4 cuboctahedra, faces with four equivalent Sr(2)Sr8Nb4 cuboctahedra, and faces with six equivalent Nb(1)Sr12 cuboctahedra. Nb(1) is bonded to four equivalent Sr(2) and eight equivalent Sr(1) atoms to form NbSr12 cuboctahedra that share corners with four equivalent Nb(1)Sr12 cuboctahedra, corners with eight equivalent Sr(2)Sr8Nb4 cuboctahedra, corners with sixteen equivalent Sr(1)Sr4Nb4 cuboctahedra, edges with eight equivalent Sr(1)Sr4Nb4 cuboctahedra, edges with eight equivalent Nb(1)Sr12 cuboctahedra, faces with four equivalent Nb(1)Sr12 cuboctahedra, and faces with six equivalent Sr(2)Sr8Nb4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr3Nb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.500
_cell_length_b   6.500
_cell_length_c   6.500
_cell_angle_alpha   129.467
_cell_angle_beta   129.467
_cell_angle_gamma   74.260
_symmetry_Int_Tables_number   1
_cell_volume   159.573
_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
  Sr  Sr0  1  0.750  0.250  0.500  1.0
  Sr  Sr1  1  0.250  0.750  0.500  1.0
  Sr  Sr2  1  0.500  0.500  0.000  1.0
  Nb  Nb3  1  0.000  0.000  0.000  1.0
[/CIF]
.