The crystal structure described by LiSrAlF6 is beta Vanadium nitride-derived structured and crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded to one F(1), one F(2), one F(3), one F(4), one F(5), and one F(6) atom to form LiF6 octahedra that share corners with six equivalent Sr(1)F6 octahedra and edges with three equivalent Al(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 54-61°. Sr(1) is bonded to one F(1), one F(2), one F(3), one F(4), one F(5), and one F(6) atom to form SrF6 octahedra that share corners with six equivalent Li(1)F6 octahedra and corners with six equivalent Al(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 43-61°. Al(1) is bonded to one F(1), one F(2), one F(3), one F(4), one F(5), and one F(6) atom to form AlF6 octahedra that share corners with six equivalent Sr(1)F6 octahedra and edges with three equivalent Li(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 43-53°. There are six inequivalent F sites. In the first F site, F(6) is bonded in a distorted trigonal planar geometry to one Li(1), one Sr(1), and one Al(1) atom. In the second F site, F(1) is bonded in a distorted trigonal planar geometry to one Li(1), one Sr(1), and one Al(1) atom. In the third F site, F(2) is bonded in a distorted trigonal planar geometry to one Li(1), one Sr(1), and one Al(1) atom. In the fourth F site, F(3) is bonded in a distorted trigonal planar geometry to one Li(1), one Sr(1), and one Al(1) atom. In the fifth F site, F(4) is bonded in a distorted trigonal planar geometry to one Li(1), one Sr(1), and one Al(1) atom. In the sixth F site, F(5) is bonded in a distorted trigonal planar geometry to one Li(1), one Sr(1), and one Al(1) atom. is represented by the CIF file [CIF]
data_SrLiAlF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.040
_cell_length_b   8.697
_cell_length_c   10.250
_cell_angle_alpha   90.000
_cell_angle_beta   90.185
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   449.258
_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  0.746  0.739  0.000  1.0
  Sr  Sr1  1  0.254  0.239  0.500  1.0
  Sr  Sr2  1  0.254  0.261  1.000  1.0
  Sr  Sr3  1  0.746  0.761  0.500  1.0
  Li  Li4  1  0.738  0.084  0.754  1.0
  Li  Li5  1  0.262  0.584  0.746  1.0
  Li  Li6  1  0.262  0.916  0.246  1.0
  Li  Li7  1  0.738  0.416  0.254  1.0
  Al  Al8  1  0.761  0.083  0.250  1.0
  Al  Al9  1  0.239  0.583  0.250  1.0
  Al  Al10  1  0.239  0.917  0.750  1.0
  Al  Al11  1  0.761  0.417  0.750  1.0
  F  F12  1  0.875  0.239  0.353  1.0
  F  F13  1  0.125  0.739  0.147  1.0
  F  F14  1  0.125  0.761  0.647  1.0
  F  F15  1  0.875  0.261  0.853  1.0
  F  F16  1  0.472  0.061  0.354  1.0
  F  F17  1  0.528  0.561  0.146  1.0
  F  F18  1  0.528  0.939  0.646  1.0
  F  F19  1  0.472  0.439  0.854  1.0
  F  F20  1  0.618  0.233  0.151  1.0
  F  F21  1  0.382  0.733  0.349  1.0
  F  F22  1  0.382  0.767  0.849  1.0
  F  F23  1  0.618  0.267  0.651  1.0
  F  F24  1  0.054  0.079  0.151  1.0
  F  F25  1  0.946  0.579  0.349  1.0
  F  F26  1  0.946  0.921  0.849  1.0
  F  F27  1  0.054  0.421  0.651  1.0
  F  F28  1  0.937  0.947  0.352  1.0
  F  F29  1  0.063  0.447  0.148  1.0
  F  F30  1  0.063  0.053  0.648  1.0
  F  F31  1  0.937  0.553  0.852  1.0
  F  F32  1  0.603  0.938  0.150  1.0
  F  F33  1  0.397  0.438  0.350  1.0
  F  F34  1  0.397  0.062  0.850  1.0
  F  F35  1  0.603  0.562  0.650  1.0
[/CIF]
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The crystal structure described by LiSrAlF6 is beta Vanadium nitride-derived structured and crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded to one F(1), one F(2), one F(3), one F(4), one F(5), and one F(6) atom to form LiF6 octahedra that share corners with six equivalent Sr(1)F6 octahedra and edges with three equivalent Al(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 54-61°. Sr(1) is bonded to one F(1), one F(2), one F(3), one F(4), one F(5), and one F(6) atom to form SrF6 octahedra that share corners with six equivalent Li(1)F6 octahedra and corners with six equivalent Al(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 43-61°. Al(1) is bonded to one F(1), one F(2), one F(3), one F(4), one F(5), and one F(6) atom to form AlF6 octahedra that share corners with six equivalent Sr(1)F6 octahedra and edges with three equivalent Li(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 43-53°. There are six inequivalent F sites. In the first F site, F(6) is bonded in a distorted trigonal planar geometry to one Li(1), one Sr(1), and one Al(1) atom. In the second F site, F(1) is bonded in a distorted trigonal planar geometry to one Li(1), one Sr(1), and one Al(1) atom. In the third F site, F(2) is bonded in a distorted trigonal planar geometry to one Li(1), one Sr(1), and one Al(1) atom. In the fourth F site, F(3) is bonded in a distorted trigonal planar geometry to one Li(1), one Sr(1), and one Al(1) atom. In the fifth F site, F(4) is bonded in a distorted trigonal planar geometry to one Li(1), one Sr(1), and one Al(1) atom. In the sixth F site, F(5) is bonded in a distorted trigonal planar geometry to one Li(1), one Sr(1), and one Al(1) atom. is represented by the CIF file [CIF]
data_SrLiAlF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.040
_cell_length_b   8.697
_cell_length_c   10.250
_cell_angle_alpha   90.000
_cell_angle_beta   90.185
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   449.258
_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  0.746  0.739  0.000  1.0
  Sr  Sr1  1  0.254  0.239  0.500  1.0
  Sr  Sr2  1  0.254  0.261  1.000  1.0
  Sr  Sr3  1  0.746  0.761  0.500  1.0
  Li  Li4  1  0.738  0.084  0.754  1.0
  Li  Li5  1  0.262  0.584  0.746  1.0
  Li  Li6  1  0.262  0.916  0.246  1.0
  Li  Li7  1  0.738  0.416  0.254  1.0
  Al  Al8  1  0.761  0.083  0.250  1.0
  Al  Al9  1  0.239  0.583  0.250  1.0
  Al  Al10  1  0.239  0.917  0.750  1.0
  Al  Al11  1  0.761  0.417  0.750  1.0
  F  F12  1  0.875  0.239  0.353  1.0
  F  F13  1  0.125  0.739  0.147  1.0
  F  F14  1  0.125  0.761  0.647  1.0
  F  F15  1  0.875  0.261  0.853  1.0
  F  F16  1  0.472  0.061  0.354  1.0
  F  F17  1  0.528  0.561  0.146  1.0
  F  F18  1  0.528  0.939  0.646  1.0
  F  F19  1  0.472  0.439  0.854  1.0
  F  F20  1  0.618  0.233  0.151  1.0
  F  F21  1  0.382  0.733  0.349  1.0
  F  F22  1  0.382  0.767  0.849  1.0
  F  F23  1  0.618  0.267  0.651  1.0
  F  F24  1  0.054  0.079  0.151  1.0
  F  F25  1  0.946  0.579  0.349  1.0
  F  F26  1  0.946  0.921  0.849  1.0
  F  F27  1  0.054  0.421  0.651  1.0
  F  F28  1  0.937  0.947  0.352  1.0
  F  F29  1  0.063  0.447  0.148  1.0
  F  F30  1  0.063  0.053  0.648  1.0
  F  F31  1  0.937  0.553  0.852  1.0
  F  F32  1  0.603  0.938  0.150  1.0
  F  F33  1  0.397  0.438  0.350  1.0
  F  F34  1  0.397  0.062  0.850  1.0
  F  F35  1  0.603  0.562  0.650  1.0
[/CIF]
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