The material structure described by SrNb4O14 crystallizes in the trigonal R-3m space group. Sr(1) is bonded to two equivalent O(3) and six equivalent O(1) atoms to form SrO8 hexagonal bipyramids that share edges with six equivalent Nb(2)O6 octahedra. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to six equivalent O(2) atoms to form corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles are 37°. In the second Nb site, Nb(2) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form NbO6 octahedra that share corners with two equivalent Nb(1)O6 octahedra, corners with four equivalent Nb(2)O6 octahedra, and edges with two equivalent Sr(1)O8 hexagonal bipyramids. The corner-sharing octahedral tilt angles range from 37-40°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Sr(1) and two equivalent Nb(2) atoms. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Nb(1) and one Nb(2) atom. In the third O site, O(3) is bonded in a single-bond geometry to one Sr(1) atom. is represented by the CIF card [CIF]
data_SrNb4O14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.582
_cell_length_b   7.582
_cell_length_c   7.582
_cell_angle_alpha   59.606
_cell_angle_beta   59.606
_cell_angle_gamma   59.606
_symmetry_Int_Tables_number   1
_cell_volume   305.398
_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  0.500  0.500  0.500  1.0
  Nb  Nb1  1  0.000  0.000  0.000  1.0
  Nb  Nb2  1  0.500  0.000  0.000  1.0
  Nb  Nb3  1  0.000  0.000  0.500  1.0
  Nb  Nb4  1  0.000  0.500  0.000  1.0
  O  O5  1  0.927  0.314  0.314  1.0
  O  O6  1  0.310  0.940  0.940  1.0
  O  O7  1  0.314  0.314  0.927  1.0
  O  O8  1  0.940  0.940  0.310  1.0
  O  O9  1  0.940  0.310  0.940  1.0
  O  O10  1  0.314  0.927  0.314  1.0
  O  O11  1  0.073  0.686  0.686  1.0
  O  O12  1  0.690  0.060  0.060  1.0
  O  O13  1  0.686  0.686  0.073  1.0
  O  O14  1  0.060  0.060  0.690  1.0
  O  O15  1  0.060  0.690  0.060  1.0
  O  O16  1  0.686  0.073  0.686  1.0
  O  O17  1  0.354  0.354  0.354  1.0
  O  O18  1  0.646  0.646  0.646  1.0
[/CIF]
.
The material structure described by SrNb4O14 crystallizes in the trigonal R-3m space group. Sr(1) is bonded to two equivalent O(3) and six equivalent O(1) atoms to form SrO8 hexagonal bipyramids that share edges with six equivalent Nb(2)O6 octahedra. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to six equivalent O(2) atoms to form corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles are 37°. In the second Nb site, Nb(2) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form NbO6 octahedra that share corners with two equivalent Nb(1)O6 octahedra, corners with four equivalent Nb(2)O6 octahedra, and edges with two equivalent Sr(1)O8 hexagonal bipyramids. The corner-sharing octahedral tilt angles range from 37-40°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Sr(1) and two equivalent Nb(2) atoms. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Nb(1) and one Nb(2) atom. In the third O site, O(3) is bonded in a single-bond geometry to one Sr(1) atom. is represented by the CIF card [CIF]
data_SrNb4O14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.582
_cell_length_b   7.582
_cell_length_c   7.582
_cell_angle_alpha   59.606
_cell_angle_beta   59.606
_cell_angle_gamma   59.606
_symmetry_Int_Tables_number   1
_cell_volume   305.398
_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  0.500  0.500  0.500  1.0
  Nb  Nb1  1  0.000  0.000  0.000  1.0
  Nb  Nb2  1  0.500  0.000  0.000  1.0
  Nb  Nb3  1  0.000  0.000  0.500  1.0
  Nb  Nb4  1  0.000  0.500  0.000  1.0
  O  O5  1  0.927  0.314  0.314  1.0
  O  O6  1  0.310  0.940  0.940  1.0
  O  O7  1  0.314  0.314  0.927  1.0
  O  O8  1  0.940  0.940  0.310  1.0
  O  O9  1  0.940  0.310  0.940  1.0
  O  O10  1  0.314  0.927  0.314  1.0
  O  O11  1  0.073  0.686  0.686  1.0
  O  O12  1  0.690  0.060  0.060  1.0
  O  O13  1  0.686  0.686  0.073  1.0
  O  O14  1  0.060  0.060  0.690  1.0
  O  O15  1  0.060  0.690  0.060  1.0
  O  O16  1  0.686  0.073  0.686  1.0
  O  O17  1  0.354  0.354  0.354  1.0
  O  O18  1  0.646  0.646  0.646  1.0
[/CIF]
.