The crystal structure described by SrAl(OF2)2 crystallizes in the monoclinic C2/c space group. Sr(1) is bonded in a 9-coordinate geometry to two equivalent O(2), one F(2), two equivalent F(1), two equivalent F(3), and two equivalent F(4) atoms. Al(1) is bonded to two equivalent O(1), one F(1), one F(2), one F(3), and one F(4) atom to form edge-sharing AlO2F4 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to two equivalent Al(1) atoms. 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 3-coordinate geometry to two equivalent Sr(1) and one Al(1) atom. In the second F site, F(2) is bonded in a distorted bent 150 degrees geometry to one Sr(1) and one Al(1) atom. In the third F site, F(3) is bonded in a 3-coordinate geometry to two equivalent 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 card [CIF]
data_SrAl(OF2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.026
_cell_length_b   7.026
_cell_length_c   14.212
_cell_angle_alpha   72.679
_cell_angle_beta   72.679
_cell_angle_gamma   44.639
_symmetry_Int_Tables_number   1
_cell_volume   466.738
_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  0.987  0.352  0.654  1.0
  Sr  Sr1  1  0.648  0.013  0.846  1.0
  Sr  Sr2  1  0.013  0.648  0.346  1.0
  Sr  Sr3  1  0.352  0.987  0.154  1.0
  Al  Al4  1  0.998  0.218  0.914  1.0
  Al  Al5  1  0.782  0.002  0.586  1.0
  Al  Al6  1  0.002  0.782  0.086  1.0
  Al  Al7  1  0.218  0.998  0.414  1.0
  O  O8  1  0.172  0.834  0.958  1.0
  O  O9  1  0.166  0.828  0.542  1.0
  O  O10  1  0.828  0.166  0.042  1.0
  O  O11  1  0.834  0.172  0.458  1.0
  O  O12  1  0.415  0.797  0.649  1.0
  O  O13  1  0.203  0.585  0.851  1.0
  O  O14  1  0.585  0.203  0.351  1.0
  O  O15  1  0.797  0.415  0.149  1.0
  F  F16  1  0.230  0.166  0.803  1.0
  F  F17  1  0.834  0.770  0.697  1.0
  F  F18  1  0.770  0.834  0.197  1.0
  F  F19  1  0.166  0.230  0.303  1.0
  F  F20  1  0.427  0.226  0.596  1.0
  F  F21  1  0.774  0.573  0.904  1.0
  F  F22  1  0.573  0.774  0.404  1.0
  F  F23  1  0.226  0.427  0.096  1.0
  F  F24  1  0.762  0.186  0.661  1.0
  F  F25  1  0.814  0.238  0.839  1.0
  F  F26  1  0.238  0.814  0.339  1.0
  F  F27  1  0.186  0.762  0.161  1.0
  F  F28  1  0.141  0.234  0.481  1.0
  F  F29  1  0.766  0.859  0.019  1.0
  F  F30  1  0.859  0.766  0.519  1.0
  F  F31  1  0.234  0.141  0.981  1.0
[/CIF]
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The crystal structure described by SrAl(OF2)2 crystallizes in the monoclinic C2/c space group. Sr(1) is bonded in a 9-coordinate geometry to two equivalent O(2), one F(2), two equivalent F(1), two equivalent F(3), and two equivalent F(4) atoms. Al(1) is bonded to two equivalent O(1), one F(1), one F(2), one F(3), and one F(4) atom to form edge-sharing AlO2F4 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to two equivalent Al(1) atoms. 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 3-coordinate geometry to two equivalent Sr(1) and one Al(1) atom. In the second F site, F(2) is bonded in a distorted bent 150 degrees geometry to one Sr(1) and one Al(1) atom. In the third F site, F(3) is bonded in a 3-coordinate geometry to two equivalent 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 card [CIF]
data_SrAl(OF2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.026
_cell_length_b   7.026
_cell_length_c   14.212
_cell_angle_alpha   72.679
_cell_angle_beta   72.679
_cell_angle_gamma   44.639
_symmetry_Int_Tables_number   1
_cell_volume   466.738
_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  0.987  0.352  0.654  1.0
  Sr  Sr1  1  0.648  0.013  0.846  1.0
  Sr  Sr2  1  0.013  0.648  0.346  1.0
  Sr  Sr3  1  0.352  0.987  0.154  1.0
  Al  Al4  1  0.998  0.218  0.914  1.0
  Al  Al5  1  0.782  0.002  0.586  1.0
  Al  Al6  1  0.002  0.782  0.086  1.0
  Al  Al7  1  0.218  0.998  0.414  1.0
  O  O8  1  0.172  0.834  0.958  1.0
  O  O9  1  0.166  0.828  0.542  1.0
  O  O10  1  0.828  0.166  0.042  1.0
  O  O11  1  0.834  0.172  0.458  1.0
  O  O12  1  0.415  0.797  0.649  1.0
  O  O13  1  0.203  0.585  0.851  1.0
  O  O14  1  0.585  0.203  0.351  1.0
  O  O15  1  0.797  0.415  0.149  1.0
  F  F16  1  0.230  0.166  0.803  1.0
  F  F17  1  0.834  0.770  0.697  1.0
  F  F18  1  0.770  0.834  0.197  1.0
  F  F19  1  0.166  0.230  0.303  1.0
  F  F20  1  0.427  0.226  0.596  1.0
  F  F21  1  0.774  0.573  0.904  1.0
  F  F22  1  0.573  0.774  0.404  1.0
  F  F23  1  0.226  0.427  0.096  1.0
  F  F24  1  0.762  0.186  0.661  1.0
  F  F25  1  0.814  0.238  0.839  1.0
  F  F26  1  0.238  0.814  0.339  1.0
  F  F27  1  0.186  0.762  0.161  1.0
  F  F28  1  0.141  0.234  0.481  1.0
  F  F29  1  0.766  0.859  0.019  1.0
  F  F30  1  0.859  0.766  0.519  1.0
  F  F31  1  0.234  0.141  0.981  1.0
[/CIF]
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