The material structure described by CeAgAs2 is Parent of FeAs superconductors-derived structured and crystallizes in the orthorhombic Pbcm space group. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a 8-coordinate geometry to two equivalent Ag(1), two equivalent Ag(2), two equivalent As(1), two equivalent As(2), and four equivalent As(3) atoms. In the second Ce site, Ce(2) is bonded in a 8-coordinate geometry to two equivalent Ag(1), two equivalent Ag(2), two equivalent As(1), two equivalent As(2), and four equivalent As(3) atoms. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded to two equivalent Ce(1), two equivalent Ce(2), two equivalent Ag(1), two equivalent Ag(2), two equivalent As(1), and two equivalent As(2) atoms to form a mixture of distorted corner and face-sharing AgCe4Ag4As4 cuboctahedra. In the second Ag site, Ag(2) is bonded to two equivalent Ce(1), two equivalent Ce(2), two equivalent Ag(1), two equivalent Ag(2), two equivalent As(1), and two equivalent As(2) atoms to form a mixture of distorted corner and face-sharing AgCe4Ag4As4 cuboctahedra. There are three inequivalent As sites. In the first As site, As(1) is bonded in a 8-coordinate geometry to two equivalent Ce(1), two equivalent Ce(2), two equivalent Ag(1), and two equivalent Ag(2) atoms. In the second As site, As(2) is bonded in a 8-coordinate geometry to two equivalent Ce(1), two equivalent Ce(2), two equivalent Ag(1), and two equivalent Ag(2) atoms. In the third As site, As(3) is bonded in a 8-coordinate geometry to two equivalent Ce(1), two equivalent Ce(2), and four equivalent As(3) atoms. is represented by the CIF card [CIF]
data_CeAgAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.767
_cell_length_b   5.817
_cell_length_c   10.128
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   339.789
_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
  Ag  Ag0  1  0.749  0.000  0.500  1.0
  Ag  Ag1  1  0.251  0.500  0.500  1.0
  Ag  Ag2  1  0.251  0.000  0.500  1.0
  Ag  Ag3  1  0.749  0.500  0.500  1.0
  As  As4  1  0.500  0.250  0.313  1.0
  As  As5  1  0.500  0.750  0.687  1.0
  As  As6  1  1.000  0.750  0.314  1.0
  As  As7  1  0.767  0.500  1.000  1.0
  As  As8  1  1.000  0.250  0.686  1.0
  As  As9  1  0.233  0.500  1.000  1.0
  As  As10  1  0.767  1.000  1.000  1.0
  As  As11  1  0.233  1.000  1.000  1.0
  Ce  Ce12  1  0.000  0.750  0.774  1.0
  Ce  Ce13  1  0.500  0.750  0.219  1.0
  Ce  Ce14  1  0.500  0.250  0.781  1.0
  Ce  Ce15  1  1.000  0.250  0.226  1.0
[/CIF]
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The material structure described by CeAgAs2 is Parent of FeAs superconductors-derived structured and crystallizes in the orthorhombic Pbcm space group. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a 8-coordinate geometry to two equivalent Ag(1), two equivalent Ag(2), two equivalent As(1), two equivalent As(2), and four equivalent As(3) atoms. In the second Ce site, Ce(2) is bonded in a 8-coordinate geometry to two equivalent Ag(1), two equivalent Ag(2), two equivalent As(1), two equivalent As(2), and four equivalent As(3) atoms. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded to two equivalent Ce(1), two equivalent Ce(2), two equivalent Ag(1), two equivalent Ag(2), two equivalent As(1), and two equivalent As(2) atoms to form a mixture of distorted corner and face-sharing AgCe4Ag4As4 cuboctahedra. In the second Ag site, Ag(2) is bonded to two equivalent Ce(1), two equivalent Ce(2), two equivalent Ag(1), two equivalent Ag(2), two equivalent As(1), and two equivalent As(2) atoms to form a mixture of distorted corner and face-sharing AgCe4Ag4As4 cuboctahedra. There are three inequivalent As sites. In the first As site, As(1) is bonded in a 8-coordinate geometry to two equivalent Ce(1), two equivalent Ce(2), two equivalent Ag(1), and two equivalent Ag(2) atoms. In the second As site, As(2) is bonded in a 8-coordinate geometry to two equivalent Ce(1), two equivalent Ce(2), two equivalent Ag(1), and two equivalent Ag(2) atoms. In the third As site, As(3) is bonded in a 8-coordinate geometry to two equivalent Ce(1), two equivalent Ce(2), and four equivalent As(3) atoms. is represented by the CIF card [CIF]
data_CeAgAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.767
_cell_length_b   5.817
_cell_length_c   10.128
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   339.789
_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
  Ag  Ag0  1  0.749  0.000  0.500  1.0
  Ag  Ag1  1  0.251  0.500  0.500  1.0
  Ag  Ag2  1  0.251  0.000  0.500  1.0
  Ag  Ag3  1  0.749  0.500  0.500  1.0
  As  As4  1  0.500  0.250  0.313  1.0
  As  As5  1  0.500  0.750  0.687  1.0
  As  As6  1  1.000  0.750  0.314  1.0
  As  As7  1  0.767  0.500  1.000  1.0
  As  As8  1  1.000  0.250  0.686  1.0
  As  As9  1  0.233  0.500  1.000  1.0
  As  As10  1  0.767  1.000  1.000  1.0
  As  As11  1  0.233  1.000  1.000  1.0
  Ce  Ce12  1  0.000  0.750  0.774  1.0
  Ce  Ce13  1  0.500  0.750  0.219  1.0
  Ce  Ce14  1  0.500  0.250  0.781  1.0
  Ce  Ce15  1  1.000  0.250  0.226  1.0
[/CIF]
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