The structure described by LiSrNb2O6F crystallizes in the monoclinic Pc space group. Li(1) is bonded in a 6-coordinate geometry to one O(5), one O(6), two equivalent O(3), and two equivalent O(4) atoms. Sr(1) is bonded in a 8-coordinate geometry to one O(6), two equivalent O(1), two equivalent O(2), two equivalent O(5), and one F(1) atom. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a 6-coordinate geometry to one O(1), one O(3), two equivalent O(2), and two equivalent O(5) atoms. In the second Nb site, Nb(2) is bonded in a 5-coordinate geometry to one O(1), one O(4), two equivalent O(6), and two equivalent F(1) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Sr(1), one Nb(1), and one Nb(2) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Sr(1) and two equivalent Nb(1) atoms. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Li(1) and one Nb(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Li(1) and one Nb(2) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Li(1), two equivalent Sr(1), and two equivalent Nb(1) atoms. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Li(1), one Sr(1), and two equivalent Nb(2) atoms. F(1) is bonded in a 3-coordinate geometry to one Sr(1) and two equivalent Nb(2) atoms. is represented by the CIF file [CIF]
data_SrLiNb2O6F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.566
_cell_length_b   6.125
_cell_length_c   9.217
_cell_angle_alpha   107.911
_cell_angle_beta   102.703
_cell_angle_gamma   44.357
_symmetry_Int_Tables_number   1
_cell_volume   321.708
_cell_formula_units_Z   2
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  0.983  0.090  0.035  1.0
  Sr  Sr1  1  0.517  0.056  0.035  1.0
  Li  Li2  1  0.759  0.234  0.487  1.0
  Li  Li3  1  0.741  0.752  0.487  1.0
  Nb  Nb4  1  0.013  0.651  0.235  1.0
  Nb  Nb5  1  0.540  0.383  0.766  1.0
  Nb  Nb6  1  0.487  0.677  0.235  1.0
  Nb  Nb7  1  0.960  0.462  0.766  1.0
  O  O8  1  0.972  0.493  0.993  1.0
  O  O9  1  0.245  0.096  0.198  1.0
  O  O10  1  0.970  0.736  0.436  1.0
  O  O11  1  0.255  0.586  0.198  1.0
  O  O12  1  0.522  0.252  0.564  1.0
  O  O13  1  0.528  0.437  0.993  1.0
  O  O14  1  0.765  0.073  0.207  1.0
  O  O15  1  0.530  0.676  0.436  1.0
  O  O16  1  0.773  0.354  0.778  1.0
  O  O17  1  0.735  0.603  0.207  1.0
  O  O18  1  0.978  0.296  0.564  1.0
  O  O19  1  0.727  0.900  0.778  1.0
  F  F20  1  0.251  0.346  0.800  1.0
  F  F21  1  0.249  0.847  0.800  1.0
[/CIF]
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The structure described by LiSrNb2O6F crystallizes in the monoclinic Pc space group. Li(1) is bonded in a 6-coordinate geometry to one O(5), one O(6), two equivalent O(3), and two equivalent O(4) atoms. Sr(1) is bonded in a 8-coordinate geometry to one O(6), two equivalent O(1), two equivalent O(2), two equivalent O(5), and one F(1) atom. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a 6-coordinate geometry to one O(1), one O(3), two equivalent O(2), and two equivalent O(5) atoms. In the second Nb site, Nb(2) is bonded in a 5-coordinate geometry to one O(1), one O(4), two equivalent O(6), and two equivalent F(1) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Sr(1), one Nb(1), and one Nb(2) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Sr(1) and two equivalent Nb(1) atoms. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Li(1) and one Nb(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Li(1) and one Nb(2) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Li(1), two equivalent Sr(1), and two equivalent Nb(1) atoms. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Li(1), one Sr(1), and two equivalent Nb(2) atoms. F(1) is bonded in a 3-coordinate geometry to one Sr(1) and two equivalent Nb(2) atoms. is represented by the CIF file [CIF]
data_SrLiNb2O6F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.566
_cell_length_b   6.125
_cell_length_c   9.217
_cell_angle_alpha   107.911
_cell_angle_beta   102.703
_cell_angle_gamma   44.357
_symmetry_Int_Tables_number   1
_cell_volume   321.708
_cell_formula_units_Z   2
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  0.983  0.090  0.035  1.0
  Sr  Sr1  1  0.517  0.056  0.035  1.0
  Li  Li2  1  0.759  0.234  0.487  1.0
  Li  Li3  1  0.741  0.752  0.487  1.0
  Nb  Nb4  1  0.013  0.651  0.235  1.0
  Nb  Nb5  1  0.540  0.383  0.766  1.0
  Nb  Nb6  1  0.487  0.677  0.235  1.0
  Nb  Nb7  1  0.960  0.462  0.766  1.0
  O  O8  1  0.972  0.493  0.993  1.0
  O  O9  1  0.245  0.096  0.198  1.0
  O  O10  1  0.970  0.736  0.436  1.0
  O  O11  1  0.255  0.586  0.198  1.0
  O  O12  1  0.522  0.252  0.564  1.0
  O  O13  1  0.528  0.437  0.993  1.0
  O  O14  1  0.765  0.073  0.207  1.0
  O  O15  1  0.530  0.676  0.436  1.0
  O  O16  1  0.773  0.354  0.778  1.0
  O  O17  1  0.735  0.603  0.207  1.0
  O  O18  1  0.978  0.296  0.564  1.0
  O  O19  1  0.727  0.900  0.778  1.0
  F  F20  1  0.251  0.346  0.800  1.0
  F  F21  1  0.249  0.847  0.800  1.0
[/CIF]
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