The material structure described by Er2(SeO4)3 crystallizes in the monoclinic C2 space group. Er(1) is bonded in a 8-coordinate geometry to one O(1), one O(3), one O(5), one O(6), two equivalent O(2), and two equivalent O(4) atoms. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a trigonal non-coplanar geometry to one O(1), one O(2), and one O(4) atom. In the second Se site, Se(2) is bonded in a tetrahedral geometry to two equivalent O(3) and two equivalent O(5) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Er(1) and one Se(1) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Er(1) and one Se(1) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Er(1) and one Se(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to two equivalent Er(1) and one Se(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Er(1) and one Se(2) atom. In the sixth O site, O(6) is bonded in a single-bond geometry to one Er(1) atom. is represented by the CIF card [CIF]
data_Er2(SeO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.553
_cell_length_b   7.047
_cell_length_c   7.048
_cell_angle_alpha   60.005
_cell_angle_beta   100.571
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   275.523
_cell_formula_units_Z   1
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  0.862  0.853  0.421  1.0
  Er  Er1  1  0.138  0.274  0.579  1.0
  Se  Se2  1  0.371  0.744  0.585  1.0
  Se  Se3  1  0.629  0.328  0.415  1.0
  Se  Se4  1  0.000  0.381  0.000  1.0
  O  O5  1  0.514  0.876  0.388  1.0
  O  O6  1  0.486  0.264  0.612  1.0
  O  O7  1  0.826  0.110  0.540  1.0
  O  O8  1  0.174  0.651  0.460  1.0
  O  O9  1  0.829  0.196  0.094  1.0
  O  O10  1  0.171  0.290  0.906  1.0
  O  O11  1  0.806  0.496  0.467  1.0
  O  O12  1  0.194  0.963  0.533  1.0
  O  O13  1  0.877  0.624  0.794  1.0
  O  O14  1  0.123  0.419  0.206  1.0
  O  O15  1  0.796  0.775  0.128  1.0
  O  O16  1  0.204  0.904  0.872  1.0
[/CIF]
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The material structure described by Er2(SeO4)3 crystallizes in the monoclinic C2 space group. Er(1) is bonded in a 8-coordinate geometry to one O(1), one O(3), one O(5), one O(6), two equivalent O(2), and two equivalent O(4) atoms. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a trigonal non-coplanar geometry to one O(1), one O(2), and one O(4) atom. In the second Se site, Se(2) is bonded in a tetrahedral geometry to two equivalent O(3) and two equivalent O(5) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Er(1) and one Se(1) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Er(1) and one Se(1) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Er(1) and one Se(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to two equivalent Er(1) and one Se(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Er(1) and one Se(2) atom. In the sixth O site, O(6) is bonded in a single-bond geometry to one Er(1) atom. is represented by the CIF card [CIF]
data_Er2(SeO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.553
_cell_length_b   7.047
_cell_length_c   7.048
_cell_angle_alpha   60.005
_cell_angle_beta   100.571
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   275.523
_cell_formula_units_Z   1
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  0.862  0.853  0.421  1.0
  Er  Er1  1  0.138  0.274  0.579  1.0
  Se  Se2  1  0.371  0.744  0.585  1.0
  Se  Se3  1  0.629  0.328  0.415  1.0
  Se  Se4  1  0.000  0.381  0.000  1.0
  O  O5  1  0.514  0.876  0.388  1.0
  O  O6  1  0.486  0.264  0.612  1.0
  O  O7  1  0.826  0.110  0.540  1.0
  O  O8  1  0.174  0.651  0.460  1.0
  O  O9  1  0.829  0.196  0.094  1.0
  O  O10  1  0.171  0.290  0.906  1.0
  O  O11  1  0.806  0.496  0.467  1.0
  O  O12  1  0.194  0.963  0.533  1.0
  O  O13  1  0.877  0.624  0.794  1.0
  O  O14  1  0.123  0.419  0.206  1.0
  O  O15  1  0.796  0.775  0.128  1.0
  O  O16  1  0.204  0.904  0.872  1.0
[/CIF]
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