The material described by Er5B2(O2F3)3 crystallizes in the monoclinic C2/c space group. There are three inequivalent Er sites. In the first Er site, Er(1) is bonded in a 9-coordinate geometry to one O(1), one O(3), two equivalent O(2), one F(2), two equivalent F(1), and two equivalent F(4) atoms. In the second Er site, Er(2) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(3), one F(1), one F(3), one F(5), and two equivalent F(2) atoms. In the third Er site, Er(3) is bonded in a 9-coordinate geometry to two equivalent O(1), two equivalent O(3), one F(3), and four equivalent F(5) atoms. B(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(2) is bonded in a distorted single-bond geometry to one Er(2), two equivalent Er(1), and one B(1) atom. In the second O site, O(3) is bonded in a distorted single-bond geometry to one Er(1), one Er(2), one Er(3), and one B(1) atom. In the third O site, O(1) is bonded in a distorted single-bond geometry to one Er(1), one Er(2), one Er(3), and one B(1) atom. There are five inequivalent F sites. In the first F site, F(5) is bonded in a distorted trigonal planar geometry to one Er(2) and two equivalent Er(3) atoms. In the second F site, F(3) is bonded in a distorted trigonal non-coplanar geometry to one Er(3) and two equivalent Er(2) atoms. In the third F site, F(1) is bonded in a distorted trigonal non-coplanar geometry to one Er(2) and two equivalent Er(1) atoms. In the fourth F site, F(2) is bonded in a distorted trigonal non-coplanar geometry to one Er(1) and two equivalent Er(2) atoms. In the fifth F site, F(4) is bonded in a distorted bent 150 degrees geometry to two equivalent Er(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Er5B2(O2F3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.679
_cell_length_b   10.679
_cell_length_c   8.268
_cell_angle_alpha   80.312
_cell_angle_beta   80.312
_cell_angle_gamma   33.103
_symmetry_Int_Tables_number   1
_cell_volume   507.000
_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
  Er  Er0  1  0.814  0.574  0.180  1.0
  Er  Er1  1  0.426  0.186  0.320  1.0
  Er  Er2  1  0.186  0.426  0.820  1.0
  Er  Er3  1  0.574  0.814  0.680  1.0
  Er  Er4  1  0.999  0.220  0.594  1.0
  Er  Er5  1  0.780  0.001  0.906  1.0
  Er  Er6  1  0.001  0.780  0.406  1.0
  Er  Er7  1  0.220  0.999  0.094  1.0
  Er  Er8  1  0.612  0.388  0.250  1.0
  Er  Er9  1  0.388  0.612  0.750  1.0
  B  B10  1  0.516  0.707  0.437  1.0
  B  B11  1  0.293  0.484  0.063  1.0
  B  B12  1  0.484  0.293  0.563  1.0
  B  B13  1  0.707  0.516  0.937  1.0
  O  O14  1  0.352  0.830  0.565  1.0
  O  O15  1  0.170  0.648  0.935  1.0
  O  O16  1  0.648  0.170  0.435  1.0
  O  O17  1  0.830  0.352  0.065  1.0
  O  O18  1  0.720  0.598  0.461  1.0
  O  O19  1  0.402  0.280  0.039  1.0
  O  O20  1  0.280  0.402  0.539  1.0
  O  O21  1  0.598  0.720  0.961  1.0
  O  O22  1  0.696  0.489  0.784  1.0
  O  O23  1  0.511  0.304  0.716  1.0
  O  O24  1  0.304  0.511  0.216  1.0
  O  O25  1  0.489  0.696  0.284  1.0
  F  F26  1  0.136  0.286  0.020  1.0
  F  F27  1  0.714  0.864  0.480  1.0
  F  F28  1  0.864  0.714  0.980  1.0
  F  F29  1  0.286  0.136  0.520  1.0
  F  F30  1  0.206  0.057  0.814  1.0
  F  F31  1  0.943  0.794  0.686  1.0
  F  F32  1  0.794  0.943  0.186  1.0
  F  F33  1  0.057  0.206  0.314  1.0
  F  F34  1  0.986  0.014  0.250  1.0
  F  F35  1  0.014  0.986  0.750  1.0
  F  F36  1  0.505  0.946  0.215  1.0
  F  F37  1  0.054  0.495  0.285  1.0
  F  F38  1  0.495  0.054  0.785  1.0
  F  F39  1  0.946  0.505  0.715  1.0
  F  F40  1  0.716  0.347  0.513  1.0
  F  F41  1  0.653  0.284  0.987  1.0
  F  F42  1  0.284  0.653  0.487  1.0
  F  F43  1  0.347  0.716  0.013  1.0
[/CIF]
.
The material described by Er5B2(O2F3)3 crystallizes in the monoclinic C2/c space group. There are three inequivalent Er sites. In the first Er site, Er(1) is bonded in a 9-coordinate geometry to one O(1), one O(3), two equivalent O(2), one F(2), two equivalent F(1), and two equivalent F(4) atoms. In the second Er site, Er(2) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(3), one F(1), one F(3), one F(5), and two equivalent F(2) atoms. In the third Er site, Er(3) is bonded in a 9-coordinate geometry to two equivalent O(1), two equivalent O(3), one F(3), and four equivalent F(5) atoms. B(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(2) is bonded in a distorted single-bond geometry to one Er(2), two equivalent Er(1), and one B(1) atom. In the second O site, O(3) is bonded in a distorted single-bond geometry to one Er(1), one Er(2), one Er(3), and one B(1) atom. In the third O site, O(1) is bonded in a distorted single-bond geometry to one Er(1), one Er(2), one Er(3), and one B(1) atom. There are five inequivalent F sites. In the first F site, F(5) is bonded in a distorted trigonal planar geometry to one Er(2) and two equivalent Er(3) atoms. In the second F site, F(3) is bonded in a distorted trigonal non-coplanar geometry to one Er(3) and two equivalent Er(2) atoms. In the third F site, F(1) is bonded in a distorted trigonal non-coplanar geometry to one Er(2) and two equivalent Er(1) atoms. In the fourth F site, F(2) is bonded in a distorted trigonal non-coplanar geometry to one Er(1) and two equivalent Er(2) atoms. In the fifth F site, F(4) is bonded in a distorted bent 150 degrees geometry to two equivalent Er(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Er5B2(O2F3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.679
_cell_length_b   10.679
_cell_length_c   8.268
_cell_angle_alpha   80.312
_cell_angle_beta   80.312
_cell_angle_gamma   33.103
_symmetry_Int_Tables_number   1
_cell_volume   507.000
_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
  Er  Er0  1  0.814  0.574  0.180  1.0
  Er  Er1  1  0.426  0.186  0.320  1.0
  Er  Er2  1  0.186  0.426  0.820  1.0
  Er  Er3  1  0.574  0.814  0.680  1.0
  Er  Er4  1  0.999  0.220  0.594  1.0
  Er  Er5  1  0.780  0.001  0.906  1.0
  Er  Er6  1  0.001  0.780  0.406  1.0
  Er  Er7  1  0.220  0.999  0.094  1.0
  Er  Er8  1  0.612  0.388  0.250  1.0
  Er  Er9  1  0.388  0.612  0.750  1.0
  B  B10  1  0.516  0.707  0.437  1.0
  B  B11  1  0.293  0.484  0.063  1.0
  B  B12  1  0.484  0.293  0.563  1.0
  B  B13  1  0.707  0.516  0.937  1.0
  O  O14  1  0.352  0.830  0.565  1.0
  O  O15  1  0.170  0.648  0.935  1.0
  O  O16  1  0.648  0.170  0.435  1.0
  O  O17  1  0.830  0.352  0.065  1.0
  O  O18  1  0.720  0.598  0.461  1.0
  O  O19  1  0.402  0.280  0.039  1.0
  O  O20  1  0.280  0.402  0.539  1.0
  O  O21  1  0.598  0.720  0.961  1.0
  O  O22  1  0.696  0.489  0.784  1.0
  O  O23  1  0.511  0.304  0.716  1.0
  O  O24  1  0.304  0.511  0.216  1.0
  O  O25  1  0.489  0.696  0.284  1.0
  F  F26  1  0.136  0.286  0.020  1.0
  F  F27  1  0.714  0.864  0.480  1.0
  F  F28  1  0.864  0.714  0.980  1.0
  F  F29  1  0.286  0.136  0.520  1.0
  F  F30  1  0.206  0.057  0.814  1.0
  F  F31  1  0.943  0.794  0.686  1.0
  F  F32  1  0.794  0.943  0.186  1.0
  F  F33  1  0.057  0.206  0.314  1.0
  F  F34  1  0.986  0.014  0.250  1.0
  F  F35  1  0.014  0.986  0.750  1.0
  F  F36  1  0.505  0.946  0.215  1.0
  F  F37  1  0.054  0.495  0.285  1.0
  F  F38  1  0.495  0.054  0.785  1.0
  F  F39  1  0.946  0.505  0.715  1.0
  F  F40  1  0.716  0.347  0.513  1.0
  F  F41  1  0.653  0.284  0.987  1.0
  F  F42  1  0.284  0.653  0.487  1.0
  F  F43  1  0.347  0.716  0.013  1.0
[/CIF]
.