The material structure described by SrEr2O4 crystallizes in the monoclinic Pm space group. Sr(1) is bonded in a distorted trigonal non-coplanar geometry to one O(1), one O(3), and two equivalent O(4) atoms. There are two inequivalent Er sites. In the first Er site, Er(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. In the second Er site, Er(2) is bonded to one O(4), two equivalent O(1), and two equivalent O(2) atoms to form distorted edge-sharing ErO5 trigonal bipyramids. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Sr(1), two equivalent Er(1), and two equivalent Er(2) atoms. In the second O site, O(2) is bonded in a square co-planar geometry to two equivalent Er(1) and two equivalent Er(2) atoms. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Sr(1) and two equivalent Er(1) atoms. In the fourth O site, O(4) is bonded in a trigonal non-coplanar geometry to two equivalent Sr(1) and one Er(2) atom. is represented by the CIF card [CIF]
data_SrEr2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.232
_cell_length_b   6.050
_cell_length_c   7.829
_cell_angle_alpha   86.198
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   152.731
_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
  Sr  Sr0  1  0.500  0.337  0.821  1.0
  Er  Er1  1  0.000  0.478  0.349  1.0
  Er  Er2  1  0.000  0.993  0.156  1.0
  O  O3  1  0.500  0.240  0.218  1.0
  O  O4  1  0.500  0.739  0.222  1.0
  O  O5  1  0.500  0.453  0.531  1.0
  O  O6  1  0.000  0.086  0.900  1.0
[/CIF]
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The material structure described by SrEr2O4 crystallizes in the monoclinic Pm space group. Sr(1) is bonded in a distorted trigonal non-coplanar geometry to one O(1), one O(3), and two equivalent O(4) atoms. There are two inequivalent Er sites. In the first Er site, Er(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. In the second Er site, Er(2) is bonded to one O(4), two equivalent O(1), and two equivalent O(2) atoms to form distorted edge-sharing ErO5 trigonal bipyramids. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Sr(1), two equivalent Er(1), and two equivalent Er(2) atoms. In the second O site, O(2) is bonded in a square co-planar geometry to two equivalent Er(1) and two equivalent Er(2) atoms. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Sr(1) and two equivalent Er(1) atoms. In the fourth O site, O(4) is bonded in a trigonal non-coplanar geometry to two equivalent Sr(1) and one Er(2) atom. is represented by the CIF card [CIF]
data_SrEr2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.232
_cell_length_b   6.050
_cell_length_c   7.829
_cell_angle_alpha   86.198
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   152.731
_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
  Sr  Sr0  1  0.500  0.337  0.821  1.0
  Er  Er1  1  0.000  0.478  0.349  1.0
  Er  Er2  1  0.000  0.993  0.156  1.0
  O  O3  1  0.500  0.240  0.218  1.0
  O  O4  1  0.500  0.739  0.222  1.0
  O  O5  1  0.500  0.453  0.531  1.0
  O  O6  1  0.000  0.086  0.900  1.0
[/CIF]
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