The crystal structure described by RbSr2Nb3O10 crystallizes in the tetragonal P4/mmm space group. Rb(1) is bonded in a body-centered cubic geometry to eight equivalent O(1) atoms. Sr(1) is bonded to four equivalent O(2), four equivalent O(3), and four equivalent O(4) atoms to form distorted SrO12 cuboctahedra that share corners with eight equivalent Sr(1)O12 cuboctahedra, faces with five equivalent Sr(1)O12 cuboctahedra, and faces with four equivalent Nb(1)O6 octahedra. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to two equivalent O(4) and four equivalent O(3) atoms to form NbO6 octahedra that share corners with four equivalent Nb(1)O6 octahedra and faces with eight equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. In the second Nb site, Nb(2) is bonded in a 6-coordinate geometry to one O(1), one O(4), and four equivalent O(2) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to four equivalent Rb(1) and one Nb(2) atom. In the second O site, O(2) is bonded to two equivalent Sr(1) and two equivalent Nb(2) atoms to form distorted OSr2Nb2 trigonal pyramids that share corners with four equivalent O(4)Sr4Nb2 octahedra, corners with four equivalent O(2)Sr2Nb2 trigonal pyramids, edges with four equivalent O(2)Sr2Nb2 trigonal pyramids, and faces with two equivalent O(4)Sr4Nb2 octahedra. The corner-sharing octahedral tilt angles are 53°. In the third O site, O(3) is bonded in a linear geometry to four equivalent Sr(1) and two equivalent Nb(1) atoms. In the fourth O site, O(4) is bonded to four equivalent Sr(1), one Nb(1), and one Nb(2) atom to form distorted OSr4Nb2 octahedra that share corners with five equivalent O(4)Sr4Nb2 octahedra, corners with eight equivalent O(2)Sr2Nb2 trigonal pyramids, edges with four equivalent O(4)Sr4Nb2 octahedra, and faces with four equivalent O(2)Sr2Nb2 trigonal pyramids. The corner-sharing octahedral tilt angles range from 0-12°. is represented by the Crystallographic Information File (CIF) [CIF]
data_RbSr2Nb3O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.986
_cell_length_b   3.986
_cell_length_c   15.440
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   245.330
_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
  Rb  Rb0  1  0.500  0.500  0.500  1.0
  Sr  Sr1  1  0.500  0.500  0.147  1.0
  Sr  Sr2  1  0.500  0.500  0.853  1.0
  Nb  Nb3  1  0.000  0.000  0.000  1.0
  Nb  Nb4  1  0.000  0.000  0.287  1.0
  Nb  Nb5  1  0.000  0.000  0.713  1.0
  O  O6  1  0.000  0.000  0.596  1.0
  O  O7  1  0.000  0.000  0.404  1.0
  O  O8  1  0.500  0.000  0.739  1.0
  O  O9  1  0.000  0.500  0.739  1.0
  O  O10  1  0.500  0.000  0.261  1.0
  O  O11  1  0.000  0.500  0.261  1.0
  O  O12  1  0.000  0.500  0.000  1.0
  O  O13  1  0.500  0.000  0.000  1.0
  O  O14  1  0.000  0.000  0.129  1.0
  O  O15  1  0.000  0.000  0.871  1.0
[/CIF]
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The crystal structure described by RbSr2Nb3O10 crystallizes in the tetragonal P4/mmm space group. Rb(1) is bonded in a body-centered cubic geometry to eight equivalent O(1) atoms. Sr(1) is bonded to four equivalent O(2), four equivalent O(3), and four equivalent O(4) atoms to form distorted SrO12 cuboctahedra that share corners with eight equivalent Sr(1)O12 cuboctahedra, faces with five equivalent Sr(1)O12 cuboctahedra, and faces with four equivalent Nb(1)O6 octahedra. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to two equivalent O(4) and four equivalent O(3) atoms to form NbO6 octahedra that share corners with four equivalent Nb(1)O6 octahedra and faces with eight equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. In the second Nb site, Nb(2) is bonded in a 6-coordinate geometry to one O(1), one O(4), and four equivalent O(2) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to four equivalent Rb(1) and one Nb(2) atom. In the second O site, O(2) is bonded to two equivalent Sr(1) and two equivalent Nb(2) atoms to form distorted OSr2Nb2 trigonal pyramids that share corners with four equivalent O(4)Sr4Nb2 octahedra, corners with four equivalent O(2)Sr2Nb2 trigonal pyramids, edges with four equivalent O(2)Sr2Nb2 trigonal pyramids, and faces with two equivalent O(4)Sr4Nb2 octahedra. The corner-sharing octahedral tilt angles are 53°. In the third O site, O(3) is bonded in a linear geometry to four equivalent Sr(1) and two equivalent Nb(1) atoms. In the fourth O site, O(4) is bonded to four equivalent Sr(1), one Nb(1), and one Nb(2) atom to form distorted OSr4Nb2 octahedra that share corners with five equivalent O(4)Sr4Nb2 octahedra, corners with eight equivalent O(2)Sr2Nb2 trigonal pyramids, edges with four equivalent O(4)Sr4Nb2 octahedra, and faces with four equivalent O(2)Sr2Nb2 trigonal pyramids. The corner-sharing octahedral tilt angles range from 0-12°. is represented by the Crystallographic Information File (CIF) [CIF]
data_RbSr2Nb3O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.986
_cell_length_b   3.986
_cell_length_c   15.440
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   245.330
_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
  Rb  Rb0  1  0.500  0.500  0.500  1.0
  Sr  Sr1  1  0.500  0.500  0.147  1.0
  Sr  Sr2  1  0.500  0.500  0.853  1.0
  Nb  Nb3  1  0.000  0.000  0.000  1.0
  Nb  Nb4  1  0.000  0.000  0.287  1.0
  Nb  Nb5  1  0.000  0.000  0.713  1.0
  O  O6  1  0.000  0.000  0.596  1.0
  O  O7  1  0.000  0.000  0.404  1.0
  O  O8  1  0.500  0.000  0.739  1.0
  O  O9  1  0.000  0.500  0.739  1.0
  O  O10  1  0.500  0.000  0.261  1.0
  O  O11  1  0.000  0.500  0.261  1.0
  O  O12  1  0.000  0.500  0.000  1.0
  O  O13  1  0.500  0.000  0.000  1.0
  O  O14  1  0.000  0.000  0.129  1.0
  O  O15  1  0.000  0.000  0.871  1.0
[/CIF]
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