The material described by Er3O2F5 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Er sites. In the first Er site, Er(1) is bonded in a 7-coordinate geometry to two equivalent O(1), two equivalent F(3), and three equivalent F(2) atoms. In the second Er site, Er(2) is bonded in a 8-coordinate geometry to four equivalent O(1), two equivalent F(1), and two equivalent F(3) atoms. O(1) is bonded to two equivalent Er(1) and two equivalent Er(2) atoms to form a mixture of corner and edge-sharing OEr4 tetrahedra. There are three inequivalent F sites. In the first F site, F(1) is bonded in a 2-coordinate geometry to two equivalent Er(2) atoms. In the second F site, F(2) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Er(1) atoms. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Er(2) and two equivalent Er(1) atoms. is represented by the CIF card [CIF]
data_Er3O2F5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.297
_cell_length_b   5.552
_cell_length_c   16.898
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   496.961
_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
  Er  Er0  1  0.038  0.326  0.403  1.0
  Er  Er1  1  0.962  0.674  0.597  1.0
  Er  Er2  1  0.538  0.174  0.903  1.0
  Er  Er3  1  0.038  0.326  0.097  1.0
  Er  Er4  1  0.458  0.262  0.250  1.0
  Er  Er5  1  0.538  0.174  0.597  1.0
  Er  Er6  1  0.958  0.238  0.750  1.0
  Er  Er7  1  0.962  0.674  0.903  1.0
  Er  Er8  1  0.042  0.762  0.250  1.0
  Er  Er9  1  0.462  0.826  0.403  1.0
  Er  Er10  1  0.462  0.826  0.097  1.0
  Er  Er11  1  0.542  0.738  0.750  1.0
  O  O12  1  0.703  0.463  0.668  1.0
  O  O13  1  0.297  0.537  0.168  1.0
  O  O14  1  0.797  0.963  0.832  1.0
  O  O15  1  0.203  0.037  0.168  1.0
  O  O16  1  0.797  0.963  0.668  1.0
  O  O17  1  0.703  0.463  0.832  1.0
  O  O18  1  0.203  0.037  0.332  1.0
  O  O19  1  0.297  0.537  0.332  1.0
  F  F20  1  0.862  0.386  0.250  1.0
  F  F21  1  0.362  0.114  0.750  1.0
  F  F22  1  0.285  0.116  0.486  1.0
  F  F23  1  0.673  0.164  0.374  1.0
  F  F24  1  0.327  0.836  0.626  1.0
  F  F25  1  0.173  0.336  0.874  1.0
  F  F26  1  0.285  0.116  0.014  1.0
  F  F27  1  0.715  0.884  0.514  1.0
  F  F28  1  0.215  0.616  0.014  1.0
  F  F29  1  0.827  0.664  0.126  1.0
  F  F30  1  0.715  0.884  0.986  1.0
  F  F31  1  0.638  0.886  0.250  1.0
  F  F32  1  0.673  0.164  0.126  1.0
  F  F33  1  0.785  0.384  0.986  1.0
  F  F34  1  0.173  0.336  0.626  1.0
  F  F35  1  0.327  0.836  0.874  1.0
  F  F36  1  0.785  0.384  0.514  1.0
  F  F37  1  0.215  0.616  0.486  1.0
  F  F38  1  0.138  0.614  0.750  1.0
  F  F39  1  0.827  0.664  0.374  1.0
[/CIF]
.
The material described by Er3O2F5 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Er sites. In the first Er site, Er(1) is bonded in a 7-coordinate geometry to two equivalent O(1), two equivalent F(3), and three equivalent F(2) atoms. In the second Er site, Er(2) is bonded in a 8-coordinate geometry to four equivalent O(1), two equivalent F(1), and two equivalent F(3) atoms. O(1) is bonded to two equivalent Er(1) and two equivalent Er(2) atoms to form a mixture of corner and edge-sharing OEr4 tetrahedra. There are three inequivalent F sites. In the first F site, F(1) is bonded in a 2-coordinate geometry to two equivalent Er(2) atoms. In the second F site, F(2) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Er(1) atoms. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Er(2) and two equivalent Er(1) atoms. is represented by the CIF card [CIF]
data_Er3O2F5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.297
_cell_length_b   5.552
_cell_length_c   16.898
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   496.961
_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
  Er  Er0  1  0.038  0.326  0.403  1.0
  Er  Er1  1  0.962  0.674  0.597  1.0
  Er  Er2  1  0.538  0.174  0.903  1.0
  Er  Er3  1  0.038  0.326  0.097  1.0
  Er  Er4  1  0.458  0.262  0.250  1.0
  Er  Er5  1  0.538  0.174  0.597  1.0
  Er  Er6  1  0.958  0.238  0.750  1.0
  Er  Er7  1  0.962  0.674  0.903  1.0
  Er  Er8  1  0.042  0.762  0.250  1.0
  Er  Er9  1  0.462  0.826  0.403  1.0
  Er  Er10  1  0.462  0.826  0.097  1.0
  Er  Er11  1  0.542  0.738  0.750  1.0
  O  O12  1  0.703  0.463  0.668  1.0
  O  O13  1  0.297  0.537  0.168  1.0
  O  O14  1  0.797  0.963  0.832  1.0
  O  O15  1  0.203  0.037  0.168  1.0
  O  O16  1  0.797  0.963  0.668  1.0
  O  O17  1  0.703  0.463  0.832  1.0
  O  O18  1  0.203  0.037  0.332  1.0
  O  O19  1  0.297  0.537  0.332  1.0
  F  F20  1  0.862  0.386  0.250  1.0
  F  F21  1  0.362  0.114  0.750  1.0
  F  F22  1  0.285  0.116  0.486  1.0
  F  F23  1  0.673  0.164  0.374  1.0
  F  F24  1  0.327  0.836  0.626  1.0
  F  F25  1  0.173  0.336  0.874  1.0
  F  F26  1  0.285  0.116  0.014  1.0
  F  F27  1  0.715  0.884  0.514  1.0
  F  F28  1  0.215  0.616  0.014  1.0
  F  F29  1  0.827  0.664  0.126  1.0
  F  F30  1  0.715  0.884  0.986  1.0
  F  F31  1  0.638  0.886  0.250  1.0
  F  F32  1  0.673  0.164  0.126  1.0
  F  F33  1  0.785  0.384  0.986  1.0
  F  F34  1  0.173  0.336  0.626  1.0
  F  F35  1  0.327  0.836  0.874  1.0
  F  F36  1  0.785  0.384  0.514  1.0
  F  F37  1  0.215  0.616  0.486  1.0
  F  F38  1  0.138  0.614  0.750  1.0
  F  F39  1  0.827  0.664  0.374  1.0
[/CIF]
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