The compound described by SrAl(OF2)2 crystallizes in the monoclinic P2_1/c space group. Sr(1) is bonded in a 8-coordinate geometry to two equivalent O(2), one F(1), one F(3), two equivalent F(2), and two equivalent F(4) atoms. Al(1) is bonded in a 6-coordinate geometry to two equivalent O(1), one F(1), one F(2), one F(3), and one F(4) atom. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Al(1) and one O(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to two equivalent Sr(1) atoms. There are four inequivalent F sites. In the first F site, F(1) is bonded in a distorted bent 150 degrees geometry to one Sr(1) and one Al(1) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to two equivalent Sr(1) and one Al(1) atom. In the third F site, F(3) is bonded in a distorted bent 120 degrees geometry to one Sr(1) and one Al(1) atom. In the fourth F site, F(4) is bonded in a 3-coordinate geometry to two equivalent Sr(1) and one Al(1) atom. is represented by the CIF file [CIF]
data_SrAl(OF2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.832
_cell_length_b   5.278
_cell_length_c   8.953
_cell_angle_alpha   75.003
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   494.428
_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  0.307  0.873  0.546  1.0
  Sr  Sr1  1  0.807  0.127  0.954  1.0
  Sr  Sr2  1  0.693  0.127  0.454  1.0
  Sr  Sr3  1  0.193  0.873  0.046  1.0
  Al  Al4  1  0.027  0.201  0.294  1.0
  Al  Al5  1  0.527  0.799  0.206  1.0
  Al  Al6  1  0.973  0.799  0.706  1.0
  Al  Al7  1  0.473  0.201  0.794  1.0
  O  O8  1  0.972  0.890  0.479  1.0
  O  O9  1  0.472  0.110  0.021  1.0
  O  O10  1  0.028  0.110  0.521  1.0
  O  O11  1  0.528  0.890  0.979  1.0
  O  O12  1  0.287  0.398  0.485  1.0
  O  O13  1  0.787  0.602  0.015  1.0
  O  O14  1  0.713  0.602  0.515  1.0
  O  O15  1  0.213  0.398  0.985  1.0
  F  F16  1  0.097  0.505  0.233  1.0
  F  F17  1  0.597  0.495  0.267  1.0
  F  F18  1  0.903  0.495  0.767  1.0
  F  F19  1  0.403  0.505  0.733  1.0
  F  F20  1  0.173  0.023  0.306  1.0
  F  F21  1  0.673  0.977  0.194  1.0
  F  F22  1  0.827  0.977  0.694  1.0
  F  F23  1  0.327  0.023  0.806  1.0
  F  F24  1  0.876  0.318  0.306  1.0
  F  F25  1  0.376  0.682  0.194  1.0
  F  F26  1  0.124  0.682  0.694  1.0
  F  F27  1  0.624  0.318  0.806  1.0
  F  F28  1  0.990  0.091  0.130  1.0
  F  F29  1  0.490  0.909  0.370  1.0
  F  F30  1  0.010  0.909  0.870  1.0
  F  F31  1  0.510  0.091  0.630  1.0
[/CIF]
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The compound described by SrAl(OF2)2 crystallizes in the monoclinic P2_1/c space group. Sr(1) is bonded in a 8-coordinate geometry to two equivalent O(2), one F(1), one F(3), two equivalent F(2), and two equivalent F(4) atoms. Al(1) is bonded in a 6-coordinate geometry to two equivalent O(1), one F(1), one F(2), one F(3), and one F(4) atom. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Al(1) and one O(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to two equivalent Sr(1) atoms. There are four inequivalent F sites. In the first F site, F(1) is bonded in a distorted bent 150 degrees geometry to one Sr(1) and one Al(1) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to two equivalent Sr(1) and one Al(1) atom. In the third F site, F(3) is bonded in a distorted bent 120 degrees geometry to one Sr(1) and one Al(1) atom. In the fourth F site, F(4) is bonded in a 3-coordinate geometry to two equivalent Sr(1) and one Al(1) atom. is represented by the CIF file [CIF]
data_SrAl(OF2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.832
_cell_length_b   5.278
_cell_length_c   8.953
_cell_angle_alpha   75.003
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   494.428
_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  0.307  0.873  0.546  1.0
  Sr  Sr1  1  0.807  0.127  0.954  1.0
  Sr  Sr2  1  0.693  0.127  0.454  1.0
  Sr  Sr3  1  0.193  0.873  0.046  1.0
  Al  Al4  1  0.027  0.201  0.294  1.0
  Al  Al5  1  0.527  0.799  0.206  1.0
  Al  Al6  1  0.973  0.799  0.706  1.0
  Al  Al7  1  0.473  0.201  0.794  1.0
  O  O8  1  0.972  0.890  0.479  1.0
  O  O9  1  0.472  0.110  0.021  1.0
  O  O10  1  0.028  0.110  0.521  1.0
  O  O11  1  0.528  0.890  0.979  1.0
  O  O12  1  0.287  0.398  0.485  1.0
  O  O13  1  0.787  0.602  0.015  1.0
  O  O14  1  0.713  0.602  0.515  1.0
  O  O15  1  0.213  0.398  0.985  1.0
  F  F16  1  0.097  0.505  0.233  1.0
  F  F17  1  0.597  0.495  0.267  1.0
  F  F18  1  0.903  0.495  0.767  1.0
  F  F19  1  0.403  0.505  0.733  1.0
  F  F20  1  0.173  0.023  0.306  1.0
  F  F21  1  0.673  0.977  0.194  1.0
  F  F22  1  0.827  0.977  0.694  1.0
  F  F23  1  0.327  0.023  0.806  1.0
  F  F24  1  0.876  0.318  0.306  1.0
  F  F25  1  0.376  0.682  0.194  1.0
  F  F26  1  0.124  0.682  0.694  1.0
  F  F27  1  0.624  0.318  0.806  1.0
  F  F28  1  0.990  0.091  0.130  1.0
  F  F29  1  0.490  0.909  0.370  1.0
  F  F30  1  0.010  0.909  0.870  1.0
  F  F31  1  0.510  0.091  0.630  1.0
[/CIF]
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