The material structure described by Cs2NbAgSe4 crystallizes in the orthorhombic Fddd space group. Cs(1) is bonded in a 8-coordinate geometry to eight equivalent Se(1) atoms. Nb(1) is bonded to four equivalent Se(1) atoms to form NbSe4 tetrahedra that share edges with two equivalent Ag(1)Se4 tetrahedra. Ag(1) is bonded to four equivalent Se(1) atoms to form distorted AgSe4 tetrahedra that share edges with two equivalent Nb(1)Se4 tetrahedra. Se(1) is bonded in a 6-coordinate geometry to four equivalent Cs(1), one Nb(1), and one Ag(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cs2NbAgSe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.986
_cell_length_b   13.343
_cell_length_c   8.102
_cell_angle_alpha   84.936
_cell_angle_beta   62.482
_cell_angle_gamma   32.582
_symmetry_Int_Tables_number   1
_cell_volume   600.620
_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
  Cs  Cs0  1  0.929  0.929  0.571  1.0
  Cs  Cs1  1  0.571  0.571  0.929  1.0
  Cs  Cs2  1  0.679  0.679  0.321  1.0
  Cs  Cs3  1  0.321  0.321  0.679  1.0
  Nb  Nb4  1  0.750  0.750  0.750  1.0
  Nb  Nb5  1  0.500  0.500  0.500  1.0
  Ag  Ag6  1  0.000  0.000  0.000  1.0
  Ag  Ag7  1  0.250  0.250  0.250  1.0
  Se  Se8  1  0.568  0.322  0.239  1.0
  Se  Se9  1  0.871  0.239  0.322  1.0
  Se  Se10  1  0.239  0.871  0.568  1.0
  Se  Se11  1  0.322  0.568  0.871  1.0
  Se  Se12  1  0.928  0.682  0.379  1.0
  Se  Se13  1  0.379  0.011  0.928  1.0
  Se  Se14  1  0.011  0.379  0.682  1.0
  Se  Se15  1  0.682  0.928  0.011  1.0
[/CIF]
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The material structure described by Cs2NbAgSe4 crystallizes in the orthorhombic Fddd space group. Cs(1) is bonded in a 8-coordinate geometry to eight equivalent Se(1) atoms. Nb(1) is bonded to four equivalent Se(1) atoms to form NbSe4 tetrahedra that share edges with two equivalent Ag(1)Se4 tetrahedra. Ag(1) is bonded to four equivalent Se(1) atoms to form distorted AgSe4 tetrahedra that share edges with two equivalent Nb(1)Se4 tetrahedra. Se(1) is bonded in a 6-coordinate geometry to four equivalent Cs(1), one Nb(1), and one Ag(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cs2NbAgSe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.986
_cell_length_b   13.343
_cell_length_c   8.102
_cell_angle_alpha   84.936
_cell_angle_beta   62.482
_cell_angle_gamma   32.582
_symmetry_Int_Tables_number   1
_cell_volume   600.620
_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
  Cs  Cs0  1  0.929  0.929  0.571  1.0
  Cs  Cs1  1  0.571  0.571  0.929  1.0
  Cs  Cs2  1  0.679  0.679  0.321  1.0
  Cs  Cs3  1  0.321  0.321  0.679  1.0
  Nb  Nb4  1  0.750  0.750  0.750  1.0
  Nb  Nb5  1  0.500  0.500  0.500  1.0
  Ag  Ag6  1  0.000  0.000  0.000  1.0
  Ag  Ag7  1  0.250  0.250  0.250  1.0
  Se  Se8  1  0.568  0.322  0.239  1.0
  Se  Se9  1  0.871  0.239  0.322  1.0
  Se  Se10  1  0.239  0.871  0.568  1.0
  Se  Se11  1  0.322  0.568  0.871  1.0
  Se  Se12  1  0.928  0.682  0.379  1.0
  Se  Se13  1  0.379  0.011  0.928  1.0
  Se  Se14  1  0.011  0.379  0.682  1.0
  Se  Se15  1  0.682  0.928  0.011  1.0
[/CIF]
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