The material structure described by AgErSe2 is Caswellsilverite-like structured and crystallizes in the tetragonal I4_1/amd space group. Er(1) is bonded to six Se(1,1,1) atoms to form ErSe6 octahedra that share corners with two equivalent Ag(1)Se6 octahedra, corners with four equivalent Er(1)Se6 octahedra, edges with four equivalent Er(1)Se6 octahedra, and edges with eight equivalent Ag(1)Se6 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. Ag(1) is bonded to six Se(1,1,1) atoms to form AgSe6 octahedra that share corners with two equivalent Er(1)Se6 octahedra, corners with four equivalent Ag(1)Se6 octahedra, edges with four equivalent Ag(1)Se6 octahedra, and edges with eight equivalent Er(1)Se6 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. There are four inequivalent Se sites. In the first Se site, Se(1) is bonded to three equivalent Er(1) and three equivalent Ag(1) atoms to form a mixture of edge and corner-sharing SeEr3Ag3 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the second Se site, Se(1) is bonded to three equivalent Er(1) and three equivalent Ag(1) atoms to form a mixture of edge and corner-sharing SeEr3Ag3 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the third Se site, Se(1) is bonded to three equivalent Er(1) and three equivalent Ag(1) atoms to form a mixture of edge and corner-sharing SeEr3Ag3 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the fourth Se site, Se(1) is bonded to three equivalent Er(1) and three equivalent Ag(1) atoms to form a mixture of edge and corner-sharing SeEr3Ag3 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. is represented by the Crystallographic Information File (CIF) [CIF]
data_ErAgSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.264
_cell_length_b   7.264
_cell_length_c   7.264
_cell_angle_alpha   133.865
_cell_angle_beta   133.865
_cell_angle_gamma   67.299
_symmetry_Int_Tables_number   1
_cell_volume   195.967
_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  0.000  0.000  0.000  1.0
  Er  Er1  1  0.750  0.250  0.500  1.0
  Ag  Ag2  1  0.500  0.500  0.000  1.0
  Ag  Ag3  1  0.250  0.750  0.500  1.0
  Se  Se4  1  0.236  0.236  0.000  1.0
  Se  Se5  1  0.764  0.764  0.000  1.0
  Se  Se6  1  0.514  0.014  0.500  1.0
  Se  Se7  1  0.986  0.486  0.500  1.0
[/CIF]
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The material structure described by AgErSe2 is Caswellsilverite-like structured and crystallizes in the tetragonal I4_1/amd space group. Er(1) is bonded to six Se(1,1,1) atoms to form ErSe6 octahedra that share corners with two equivalent Ag(1)Se6 octahedra, corners with four equivalent Er(1)Se6 octahedra, edges with four equivalent Er(1)Se6 octahedra, and edges with eight equivalent Ag(1)Se6 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. Ag(1) is bonded to six Se(1,1,1) atoms to form AgSe6 octahedra that share corners with two equivalent Er(1)Se6 octahedra, corners with four equivalent Ag(1)Se6 octahedra, edges with four equivalent Ag(1)Se6 octahedra, and edges with eight equivalent Er(1)Se6 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. There are four inequivalent Se sites. In the first Se site, Se(1) is bonded to three equivalent Er(1) and three equivalent Ag(1) atoms to form a mixture of edge and corner-sharing SeEr3Ag3 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the second Se site, Se(1) is bonded to three equivalent Er(1) and three equivalent Ag(1) atoms to form a mixture of edge and corner-sharing SeEr3Ag3 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the third Se site, Se(1) is bonded to three equivalent Er(1) and three equivalent Ag(1) atoms to form a mixture of edge and corner-sharing SeEr3Ag3 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the fourth Se site, Se(1) is bonded to three equivalent Er(1) and three equivalent Ag(1) atoms to form a mixture of edge and corner-sharing SeEr3Ag3 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. is represented by the Crystallographic Information File (CIF) [CIF]
data_ErAgSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.264
_cell_length_b   7.264
_cell_length_c   7.264
_cell_angle_alpha   133.865
_cell_angle_beta   133.865
_cell_angle_gamma   67.299
_symmetry_Int_Tables_number   1
_cell_volume   195.967
_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  0.000  0.000  0.000  1.0
  Er  Er1  1  0.750  0.250  0.500  1.0
  Ag  Ag2  1  0.500  0.500  0.000  1.0
  Ag  Ag3  1  0.250  0.750  0.500  1.0
  Se  Se4  1  0.236  0.236  0.000  1.0
  Se  Se5  1  0.764  0.764  0.000  1.0
  Se  Se6  1  0.514  0.014  0.500  1.0
  Se  Se7  1  0.986  0.486  0.500  1.0
[/CIF]
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