The material described by SrNb2O6 crystallizes in the monoclinic P2_1/c space group. Sr(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(3), one O(6), two equivalent O(4), and two equivalent O(5) atoms. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one O(1), one O(2), two equivalent O(4), and two equivalent O(6) atoms to form a mixture of corner and edge-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles range from 20-45°. In the second Nb site, Nb(2) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(5) atoms to form a mixture of corner and edge-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles range from 20-43°. There are six inequivalent O sites. In the first O site, O(6) is bonded in a 3-coordinate geometry to one Sr(1) and two equivalent Nb(1) atoms. In the second O site, O(1) is bonded in a 3-coordinate geometry to one Sr(1), one Nb(1), and one Nb(2) atom. In the third O site, O(2) is bonded in a 3-coordinate geometry to one Sr(1), one Nb(1), and one Nb(2) atom. In the fourth O site, O(3) is bonded in a 3-coordinate geometry to one Sr(1) and two equivalent Nb(2) atoms. In the fifth O site, O(4) is bonded to two equivalent Sr(1) and two equivalent Nb(1) atoms to form a mixture of distorted corner and edge-sharing OSr2Nb2 tetrahedra. In the sixth O site, O(5) is bonded to two equivalent Sr(1) and two equivalent Nb(2) atoms to form a mixture of distorted corner and edge-sharing OSr2Nb2 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_SrNb2O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.632
_cell_length_b   7.738
_cell_length_c   11.161
_cell_angle_alpha   89.717
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   486.416
_cell_formula_units_Z   4
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  0.465  0.250  0.961  1.0
  Sr  Sr1  1  0.965  0.750  0.539  1.0
  Sr  Sr2  1  0.535  0.750  0.039  1.0
  Sr  Sr3  1  0.035  0.250  0.461  1.0
  Nb  Nb4  1  0.525  0.010  0.356  1.0
  Nb  Nb5  1  0.025  0.990  0.144  1.0
  Nb  Nb6  1  0.475  0.990  0.644  1.0
  Nb  Nb7  1  0.975  0.010  0.856  1.0
  Nb  Nb8  1  0.532  0.522  0.357  1.0
  Nb  Nb9  1  0.032  0.478  0.143  1.0
  Nb  Nb10  1  0.468  0.478  0.643  1.0
  Nb  Nb11  1  0.968  0.522  0.857  1.0
  O  O12  1  0.647  0.752  0.372  1.0
  O  O13  1  0.147  0.248  0.128  1.0
  O  O14  1  0.353  0.248  0.628  1.0
  O  O15  1  0.853  0.752  0.872  1.0
  O  O16  1  0.466  0.252  0.354  1.0
  O  O17  1  0.966  0.748  0.146  1.0
  O  O18  1  0.534  0.748  0.646  1.0
  O  O19  1  0.034  0.252  0.854  1.0
  O  O20  1  0.641  0.447  0.788  1.0
  O  O21  1  0.141  0.553  0.712  1.0
  O  O22  1  0.359  0.553  0.212  1.0
  O  O23  1  0.859  0.447  0.288  1.0
  O  O24  1  0.780  0.035  0.026  1.0
  O  O25  1  0.280  0.965  0.474  1.0
  O  O26  1  0.220  0.965  0.974  1.0
  O  O27  1  0.720  0.035  0.526  1.0
  O  O28  1  0.721  0.465  0.526  1.0
  O  O29  1  0.221  0.535  0.974  1.0
  O  O30  1  0.279  0.535  0.474  1.0
  O  O31  1  0.779  0.465  0.026  1.0
  O  O32  1  0.636  0.050  0.788  1.0
  O  O33  1  0.136  0.950  0.712  1.0
  O  O34  1  0.364  0.950  0.212  1.0
  O  O35  1  0.864  0.050  0.288  1.0
[/CIF]
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The material described by SrNb2O6 crystallizes in the monoclinic P2_1/c space group. Sr(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(3), one O(6), two equivalent O(4), and two equivalent O(5) atoms. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one O(1), one O(2), two equivalent O(4), and two equivalent O(6) atoms to form a mixture of corner and edge-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles range from 20-45°. In the second Nb site, Nb(2) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(5) atoms to form a mixture of corner and edge-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles range from 20-43°. There are six inequivalent O sites. In the first O site, O(6) is bonded in a 3-coordinate geometry to one Sr(1) and two equivalent Nb(1) atoms. In the second O site, O(1) is bonded in a 3-coordinate geometry to one Sr(1), one Nb(1), and one Nb(2) atom. In the third O site, O(2) is bonded in a 3-coordinate geometry to one Sr(1), one Nb(1), and one Nb(2) atom. In the fourth O site, O(3) is bonded in a 3-coordinate geometry to one Sr(1) and two equivalent Nb(2) atoms. In the fifth O site, O(4) is bonded to two equivalent Sr(1) and two equivalent Nb(1) atoms to form a mixture of distorted corner and edge-sharing OSr2Nb2 tetrahedra. In the sixth O site, O(5) is bonded to two equivalent Sr(1) and two equivalent Nb(2) atoms to form a mixture of distorted corner and edge-sharing OSr2Nb2 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_SrNb2O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.632
_cell_length_b   7.738
_cell_length_c   11.161
_cell_angle_alpha   89.717
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   486.416
_cell_formula_units_Z   4
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  0.465  0.250  0.961  1.0
  Sr  Sr1  1  0.965  0.750  0.539  1.0
  Sr  Sr2  1  0.535  0.750  0.039  1.0
  Sr  Sr3  1  0.035  0.250  0.461  1.0
  Nb  Nb4  1  0.525  0.010  0.356  1.0
  Nb  Nb5  1  0.025  0.990  0.144  1.0
  Nb  Nb6  1  0.475  0.990  0.644  1.0
  Nb  Nb7  1  0.975  0.010  0.856  1.0
  Nb  Nb8  1  0.532  0.522  0.357  1.0
  Nb  Nb9  1  0.032  0.478  0.143  1.0
  Nb  Nb10  1  0.468  0.478  0.643  1.0
  Nb  Nb11  1  0.968  0.522  0.857  1.0
  O  O12  1  0.647  0.752  0.372  1.0
  O  O13  1  0.147  0.248  0.128  1.0
  O  O14  1  0.353  0.248  0.628  1.0
  O  O15  1  0.853  0.752  0.872  1.0
  O  O16  1  0.466  0.252  0.354  1.0
  O  O17  1  0.966  0.748  0.146  1.0
  O  O18  1  0.534  0.748  0.646  1.0
  O  O19  1  0.034  0.252  0.854  1.0
  O  O20  1  0.641  0.447  0.788  1.0
  O  O21  1  0.141  0.553  0.712  1.0
  O  O22  1  0.359  0.553  0.212  1.0
  O  O23  1  0.859  0.447  0.288  1.0
  O  O24  1  0.780  0.035  0.026  1.0
  O  O25  1  0.280  0.965  0.474  1.0
  O  O26  1  0.220  0.965  0.974  1.0
  O  O27  1  0.720  0.035  0.526  1.0
  O  O28  1  0.721  0.465  0.526  1.0
  O  O29  1  0.221  0.535  0.974  1.0
  O  O30  1  0.279  0.535  0.474  1.0
  O  O31  1  0.779  0.465  0.026  1.0
  O  O32  1  0.636  0.050  0.788  1.0
  O  O33  1  0.136  0.950  0.712  1.0
  O  O34  1  0.364  0.950  0.212  1.0
  O  O35  1  0.864  0.050  0.288  1.0
[/CIF]
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