The material described by Cs3Sb2N3(O3F2)3 crystallizes in the monoclinic C2/c space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 12-coordinate geometry to one O(1), one O(5), two equivalent O(2), three equivalent O(3), one F(1), one F(3), and three equivalent F(2) atoms. In the second Cs site, Cs(2) is bonded to two equivalent O(1), two equivalent F(1), and four equivalent F(3) atoms to form distorted edge-sharing CsO2F6 hexagonal bipyramids. Sb(1) is bonded in a 3-coordinate geometry to one F(1), one F(2), and one F(3) atom. There are two inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to one O(4) and two equivalent O(1) atoms. In the second N site, N(2) is bonded in a trigonal planar geometry to one O(2), one O(3), and one O(5) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one Cs(1), one Cs(2), and one N(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to two equivalent Cs(1) and one N(2) atom. In the third O site, O(3) is bonded in a single-bond geometry to three equivalent Cs(1) and one N(2) atom. In the fourth O site, O(4) is bonded in a single-bond geometry to one N(1) atom. In the fifth O site, O(5) is bonded in a single-bond geometry to one Cs(1) and one N(2) atom. There are three inequivalent F sites. In the first F site, F(1) is bonded in a distorted single-bond geometry to one Cs(1), one Cs(2), and one Sb(1) atom. In the second F site, F(2) is bonded in a distorted single-bond geometry to three equivalent Cs(1) and one Sb(1) atom. In the third F site, F(3) is bonded in a distorted single-bond geometry to one Cs(1), two equivalent Cs(2), and one Sb(1) atom. is represented by the CIF file [CIF]
data_Cs3Sb2N3(O3F2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.871
_cell_length_b   11.871
_cell_length_c   9.983
_cell_angle_alpha   89.699
_cell_angle_beta   89.699
_cell_angle_gamma   37.647
_symmetry_Int_Tables_number   1
_cell_volume   859.249
_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
  Cs  Cs0  1  0.444  0.181  0.340  1.0
  Cs  Cs1  1  0.556  0.819  0.660  1.0
  Cs  Cs2  1  0.181  0.444  0.840  1.0
  Cs  Cs3  1  0.500  0.500  0.500  1.0
  Cs  Cs4  1  0.819  0.556  0.160  1.0
  Cs  Cs5  1  0.500  0.500  0.000  1.0
  Sb  Sb6  1  0.264  0.964  0.283  1.0
  Sb  Sb7  1  0.036  0.736  0.217  1.0
  Sb  Sb8  1  0.964  0.264  0.783  1.0
  Sb  Sb9  1  0.736  0.036  0.717  1.0
  N  N10  1  0.116  0.884  0.750  1.0
  N  N11  1  0.051  0.321  0.505  1.0
  N  N12  1  0.884  0.116  0.250  1.0
  N  N13  1  0.949  0.679  0.495  1.0
  N  N14  1  0.321  0.051  0.005  1.0
  N  N15  1  0.679  0.949  0.995  1.0
  O  O16  1  0.242  0.849  0.791  1.0
  O  O17  1  0.098  0.286  0.381  1.0
  O  O18  1  0.286  0.098  0.881  1.0
  O  O19  1  0.151  0.758  0.709  1.0
  O  O20  1  0.164  0.262  0.593  1.0
  O  O21  1  0.054  0.946  0.250  1.0
  O  O22  1  0.587  0.109  0.963  1.0
  O  O23  1  0.849  0.242  0.291  1.0
  O  O24  1  0.836  0.738  0.407  1.0
  O  O25  1  0.758  0.151  0.209  1.0
  O  O26  1  0.262  0.164  0.093  1.0
  O  O27  1  0.413  0.891  0.037  1.0
  O  O28  1  0.902  0.714  0.619  1.0
  O  O29  1  0.738  0.836  0.907  1.0
  O  O30  1  0.109  0.587  0.463  1.0
  O  O31  1  0.891  0.413  0.537  1.0
  O  O32  1  0.946  0.054  0.750  1.0
  O  O33  1  0.714  0.902  0.119  1.0
  F  F34  1  0.921  0.257  0.974  1.0
  F  F35  1  0.257  0.921  0.474  1.0
  F  F36  1  0.522  0.113  0.659  1.0
  F  F37  1  0.448  0.697  0.250  1.0
  F  F38  1  0.113  0.522  0.159  1.0
  F  F39  1  0.743  0.079  0.526  1.0
  F  F40  1  0.697  0.448  0.750  1.0
  F  F41  1  0.478  0.887  0.341  1.0
  F  F42  1  0.552  0.303  0.750  1.0
  F  F43  1  0.887  0.478  0.841  1.0
  F  F44  1  0.303  0.552  0.250  1.0
  F  F45  1  0.079  0.743  0.026  1.0
[/CIF]
.
The material described by Cs3Sb2N3(O3F2)3 crystallizes in the monoclinic C2/c space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 12-coordinate geometry to one O(1), one O(5), two equivalent O(2), three equivalent O(3), one F(1), one F(3), and three equivalent F(2) atoms. In the second Cs site, Cs(2) is bonded to two equivalent O(1), two equivalent F(1), and four equivalent F(3) atoms to form distorted edge-sharing CsO2F6 hexagonal bipyramids. Sb(1) is bonded in a 3-coordinate geometry to one F(1), one F(2), and one F(3) atom. There are two inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to one O(4) and two equivalent O(1) atoms. In the second N site, N(2) is bonded in a trigonal planar geometry to one O(2), one O(3), and one O(5) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one Cs(1), one Cs(2), and one N(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to two equivalent Cs(1) and one N(2) atom. In the third O site, O(3) is bonded in a single-bond geometry to three equivalent Cs(1) and one N(2) atom. In the fourth O site, O(4) is bonded in a single-bond geometry to one N(1) atom. In the fifth O site, O(5) is bonded in a single-bond geometry to one Cs(1) and one N(2) atom. There are three inequivalent F sites. In the first F site, F(1) is bonded in a distorted single-bond geometry to one Cs(1), one Cs(2), and one Sb(1) atom. In the second F site, F(2) is bonded in a distorted single-bond geometry to three equivalent Cs(1) and one Sb(1) atom. In the third F site, F(3) is bonded in a distorted single-bond geometry to one Cs(1), two equivalent Cs(2), and one Sb(1) atom. is represented by the CIF file [CIF]
data_Cs3Sb2N3(O3F2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.871
_cell_length_b   11.871
_cell_length_c   9.983
_cell_angle_alpha   89.699
_cell_angle_beta   89.699
_cell_angle_gamma   37.647
_symmetry_Int_Tables_number   1
_cell_volume   859.249
_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
  Cs  Cs0  1  0.444  0.181  0.340  1.0
  Cs  Cs1  1  0.556  0.819  0.660  1.0
  Cs  Cs2  1  0.181  0.444  0.840  1.0
  Cs  Cs3  1  0.500  0.500  0.500  1.0
  Cs  Cs4  1  0.819  0.556  0.160  1.0
  Cs  Cs5  1  0.500  0.500  0.000  1.0
  Sb  Sb6  1  0.264  0.964  0.283  1.0
  Sb  Sb7  1  0.036  0.736  0.217  1.0
  Sb  Sb8  1  0.964  0.264  0.783  1.0
  Sb  Sb9  1  0.736  0.036  0.717  1.0
  N  N10  1  0.116  0.884  0.750  1.0
  N  N11  1  0.051  0.321  0.505  1.0
  N  N12  1  0.884  0.116  0.250  1.0
  N  N13  1  0.949  0.679  0.495  1.0
  N  N14  1  0.321  0.051  0.005  1.0
  N  N15  1  0.679  0.949  0.995  1.0
  O  O16  1  0.242  0.849  0.791  1.0
  O  O17  1  0.098  0.286  0.381  1.0
  O  O18  1  0.286  0.098  0.881  1.0
  O  O19  1  0.151  0.758  0.709  1.0
  O  O20  1  0.164  0.262  0.593  1.0
  O  O21  1  0.054  0.946  0.250  1.0
  O  O22  1  0.587  0.109  0.963  1.0
  O  O23  1  0.849  0.242  0.291  1.0
  O  O24  1  0.836  0.738  0.407  1.0
  O  O25  1  0.758  0.151  0.209  1.0
  O  O26  1  0.262  0.164  0.093  1.0
  O  O27  1  0.413  0.891  0.037  1.0
  O  O28  1  0.902  0.714  0.619  1.0
  O  O29  1  0.738  0.836  0.907  1.0
  O  O30  1  0.109  0.587  0.463  1.0
  O  O31  1  0.891  0.413  0.537  1.0
  O  O32  1  0.946  0.054  0.750  1.0
  O  O33  1  0.714  0.902  0.119  1.0
  F  F34  1  0.921  0.257  0.974  1.0
  F  F35  1  0.257  0.921  0.474  1.0
  F  F36  1  0.522  0.113  0.659  1.0
  F  F37  1  0.448  0.697  0.250  1.0
  F  F38  1  0.113  0.522  0.159  1.0
  F  F39  1  0.743  0.079  0.526  1.0
  F  F40  1  0.697  0.448  0.750  1.0
  F  F41  1  0.478  0.887  0.341  1.0
  F  F42  1  0.552  0.303  0.750  1.0
  F  F43  1  0.887  0.478  0.841  1.0
  F  F44  1  0.303  0.552  0.250  1.0
  F  F45  1  0.079  0.743  0.026  1.0
[/CIF]
.