The material structure described by Sr2AlCO3F5 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 9-coordinate geometry to one O(1), one O(3), one F(1), one F(2), one F(4), two equivalent F(3), and two equivalent F(5) atoms. In the second Sr site, Sr(2) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(3), one F(1), one F(2), one F(3), and one F(4) atom. Al(1) is bonded in an octahedral geometry to one O(2), one F(1), one F(2), one F(3), one F(4), and one F(5) atom. C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Sr(1), two equivalent Sr(2), and one C(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Al(1) and one C(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Sr(1), two equivalent Sr(2), and one C(1) atom. There are five inequivalent F sites. In the first F site, F(4) is bonded in a 3-coordinate geometry to one Sr(1), one Sr(2), and one Al(1) atom. In the second F site, F(5) is bonded in a 3-coordinate geometry to two equivalent Sr(1) and one Al(1) atom. In the third F site, F(1) is bonded in a 3-coordinate geometry to one Sr(1), one Sr(2), and one Al(1) atom. In the fourth F site, F(2) is bonded in a 3-coordinate geometry to one Sr(1), one Sr(2), and one Al(1) atom. In the fifth F site, F(3) is bonded in a 4-coordinate geometry to one Sr(2), two equivalent Sr(1), and one Al(1) atom. is represented by the CIF file [CIF]
data_Sr2AlCO3F5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.855
_cell_length_b   5.520
_cell_length_c   13.657
_cell_angle_alpha   74.713
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   643.865
_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  0.141  0.695  0.589  1.0
  Sr  Sr1  1  0.641  0.305  0.911  1.0
  Sr  Sr2  1  0.391  0.308  0.402  1.0
  Sr  Sr3  1  0.891  0.692  0.098  1.0
  Sr  Sr4  1  0.609  0.692  0.598  1.0
  Sr  Sr5  1  0.859  0.305  0.411  1.0
  Sr  Sr6  1  0.109  0.308  0.902  1.0
  Sr  Sr7  1  0.359  0.695  0.089  1.0
  Al  Al8  1  0.872  0.197  0.670  1.0
  Al  Al9  1  0.128  0.803  0.330  1.0
  Al  Al10  1  0.628  0.197  0.170  1.0
  Al  Al11  1  0.372  0.803  0.830  1.0
  C  C12  1  0.375  0.174  0.639  1.0
  C  C13  1  0.125  0.174  0.139  1.0
  C  C14  1  0.875  0.826  0.861  1.0
  C  C15  1  0.625  0.826  0.361  1.0
  O  O16  1  0.876  0.996  0.911  1.0
  O  O17  1  0.124  0.004  0.089  1.0
  O  O18  1  0.871  0.882  0.763  1.0
  O  O19  1  0.879  0.590  0.912  1.0
  O  O20  1  0.379  0.410  0.588  1.0
  O  O21  1  0.624  0.996  0.411  1.0
  O  O22  1  0.129  0.118  0.237  1.0
  O  O23  1  0.371  0.118  0.737  1.0
  O  O24  1  0.629  0.882  0.263  1.0
  O  O25  1  0.121  0.410  0.088  1.0
  O  O26  1  0.621  0.590  0.412  1.0
  O  O27  1  0.376  0.004  0.589  1.0
  F  F28  1  0.273  0.670  0.266  1.0
  F  F29  1  0.224  0.894  0.909  1.0
  F  F30  1  0.129  0.490  0.430  1.0
  F  F31  1  0.371  0.490  0.930  1.0
  F  F32  1  0.871  0.510  0.570  1.0
  F  F33  1  0.973  0.675  0.274  1.0
  F  F34  1  0.227  0.670  0.766  1.0
  F  F35  1  0.994  0.914  0.411  1.0
  F  F36  1  0.776  0.106  0.091  1.0
  F  F37  1  0.494  0.086  0.089  1.0
  F  F38  1  0.027  0.325  0.726  1.0
  F  F39  1  0.773  0.330  0.234  1.0
  F  F40  1  0.727  0.330  0.734  1.0
  F  F41  1  0.724  0.106  0.591  1.0
  F  F42  1  0.276  0.894  0.409  1.0
  F  F43  1  0.006  0.086  0.589  1.0
  F  F44  1  0.629  0.510  0.070  1.0
  F  F45  1  0.506  0.914  0.911  1.0
  F  F46  1  0.527  0.675  0.774  1.0
  F  F47  1  0.473  0.325  0.226  1.0
[/CIF]
.
The material structure described by Sr2AlCO3F5 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 9-coordinate geometry to one O(1), one O(3), one F(1), one F(2), one F(4), two equivalent F(3), and two equivalent F(5) atoms. In the second Sr site, Sr(2) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(3), one F(1), one F(2), one F(3), and one F(4) atom. Al(1) is bonded in an octahedral geometry to one O(2), one F(1), one F(2), one F(3), one F(4), and one F(5) atom. C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Sr(1), two equivalent Sr(2), and one C(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Al(1) and one C(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Sr(1), two equivalent Sr(2), and one C(1) atom. There are five inequivalent F sites. In the first F site, F(4) is bonded in a 3-coordinate geometry to one Sr(1), one Sr(2), and one Al(1) atom. In the second F site, F(5) is bonded in a 3-coordinate geometry to two equivalent Sr(1) and one Al(1) atom. In the third F site, F(1) is bonded in a 3-coordinate geometry to one Sr(1), one Sr(2), and one Al(1) atom. In the fourth F site, F(2) is bonded in a 3-coordinate geometry to one Sr(1), one Sr(2), and one Al(1) atom. In the fifth F site, F(3) is bonded in a 4-coordinate geometry to one Sr(2), two equivalent Sr(1), and one Al(1) atom. is represented by the CIF file [CIF]
data_Sr2AlCO3F5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.855
_cell_length_b   5.520
_cell_length_c   13.657
_cell_angle_alpha   74.713
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   643.865
_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  0.141  0.695  0.589  1.0
  Sr  Sr1  1  0.641  0.305  0.911  1.0
  Sr  Sr2  1  0.391  0.308  0.402  1.0
  Sr  Sr3  1  0.891  0.692  0.098  1.0
  Sr  Sr4  1  0.609  0.692  0.598  1.0
  Sr  Sr5  1  0.859  0.305  0.411  1.0
  Sr  Sr6  1  0.109  0.308  0.902  1.0
  Sr  Sr7  1  0.359  0.695  0.089  1.0
  Al  Al8  1  0.872  0.197  0.670  1.0
  Al  Al9  1  0.128  0.803  0.330  1.0
  Al  Al10  1  0.628  0.197  0.170  1.0
  Al  Al11  1  0.372  0.803  0.830  1.0
  C  C12  1  0.375  0.174  0.639  1.0
  C  C13  1  0.125  0.174  0.139  1.0
  C  C14  1  0.875  0.826  0.861  1.0
  C  C15  1  0.625  0.826  0.361  1.0
  O  O16  1  0.876  0.996  0.911  1.0
  O  O17  1  0.124  0.004  0.089  1.0
  O  O18  1  0.871  0.882  0.763  1.0
  O  O19  1  0.879  0.590  0.912  1.0
  O  O20  1  0.379  0.410  0.588  1.0
  O  O21  1  0.624  0.996  0.411  1.0
  O  O22  1  0.129  0.118  0.237  1.0
  O  O23  1  0.371  0.118  0.737  1.0
  O  O24  1  0.629  0.882  0.263  1.0
  O  O25  1  0.121  0.410  0.088  1.0
  O  O26  1  0.621  0.590  0.412  1.0
  O  O27  1  0.376  0.004  0.589  1.0
  F  F28  1  0.273  0.670  0.266  1.0
  F  F29  1  0.224  0.894  0.909  1.0
  F  F30  1  0.129  0.490  0.430  1.0
  F  F31  1  0.371  0.490  0.930  1.0
  F  F32  1  0.871  0.510  0.570  1.0
  F  F33  1  0.973  0.675  0.274  1.0
  F  F34  1  0.227  0.670  0.766  1.0
  F  F35  1  0.994  0.914  0.411  1.0
  F  F36  1  0.776  0.106  0.091  1.0
  F  F37  1  0.494  0.086  0.089  1.0
  F  F38  1  0.027  0.325  0.726  1.0
  F  F39  1  0.773  0.330  0.234  1.0
  F  F40  1  0.727  0.330  0.734  1.0
  F  F41  1  0.724  0.106  0.591  1.0
  F  F42  1  0.276  0.894  0.409  1.0
  F  F43  1  0.006  0.086  0.589  1.0
  F  F44  1  0.629  0.510  0.070  1.0
  F  F45  1  0.506  0.914  0.911  1.0
  F  F46  1  0.527  0.675  0.774  1.0
  F  F47  1  0.473  0.325  0.226  1.0
[/CIF]
.