The material structure described by Ce5Sb4As is Caswellsilverite-like structured and crystallizes in the tetragonal I4/mmm space group. There are three inequivalent Ce sites. In the first Ce site, Ce(1) is bonded to one Sb(1) and five equivalent Sb(2) atoms to form CeSb6 octahedra that share  a cornercorner with one Ce(3)Sb2As4 octahedra,  a cornercorner with one Ce(2)Sb5As octahedra, corners with four equivalent Ce(1)Sb6 octahedra, edges with four equivalent Ce(2)Sb5As octahedra, and edges with eight equivalent Ce(1)Sb6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the second Ce site, Ce(2) is bonded to one Sb(2), four equivalent Sb(1), and one As(1) atom to form CeSb5As octahedra that share  a cornercorner with one Ce(1)Sb6 octahedra, corners with five equivalent Ce(2)Sb5As octahedra, edges with four equivalent Ce(3)Sb2As4 octahedra, edges with four equivalent Ce(2)Sb5As octahedra, and edges with four equivalent Ce(1)Sb6 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. In the third Ce site, Ce(3) is bonded to two equivalent Sb(1) and four equivalent As(1) atoms to form CeSb2As4 octahedra that share corners with two equivalent Ce(1)Sb6 octahedra, corners with four equivalent Ce(3)Sb2As4 octahedra, edges with four equivalent Ce(3)Sb2As4 octahedra, and edges with eight equivalent Ce(2)Sb5As octahedra. The corner-sharing octahedra are not tilted. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to one Ce(1), one Ce(3), and four equivalent Ce(2) atoms to form SbCe6 octahedra that share  a cornercorner with one Sb(2)Ce6 octahedra, corners with five equivalent Sb(1)Ce6 octahedra, edges with four equivalent Sb(1)Ce6 octahedra, edges with four equivalent Sb(2)Ce6 octahedra, and edges with four equivalent As(1)Ce6 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. In the second Sb site, Sb(2) is bonded to one Ce(2) and five equivalent Ce(1) atoms to form SbCe6 octahedra that share  a cornercorner with one Sb(1)Ce6 octahedra,  a cornercorner with one As(1)Ce6 octahedra, corners with four equivalent Sb(2)Ce6 octahedra, edges with four equivalent Sb(1)Ce6 octahedra, and edges with eight equivalent Sb(2)Ce6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. As(1) is bonded to two equivalent Ce(2) and four equivalent Ce(3) atoms to form AsCe6 octahedra that share corners with two equivalent Sb(2)Ce6 octahedra, corners with four equivalent As(1)Ce6 octahedra, edges with four equivalent As(1)Ce6 octahedra, and edges with eight equivalent Sb(1)Ce6 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF file [CIF]
data_Ce5Sb4As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.963
_cell_length_b   15.963
_cell_length_c   15.963
_cell_angle_alpha   163.956
_cell_angle_beta   163.956
_cell_angle_gamma   22.765
_symmetry_Int_Tables_number   1
_cell_volume   310.599
_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
  Ce  Ce0  1  0.800  0.800  0.000  1.0
  Ce  Ce1  1  0.200  0.200  0.000  1.0
  Ce  Ce2  1  0.596  0.596  0.000  1.0
  Ce  Ce3  1  0.000  0.000  0.000  1.0
  Ce  Ce4  1  0.404  0.404  0.000  1.0
  Sb  Sb5  1  0.900  0.900  0.000  1.0
  Sb  Sb6  1  0.301  0.301  0.000  1.0
  Sb  Sb7  1  0.699  0.699  0.000  1.0
  Sb  Sb8  1  0.100  0.100  0.000  1.0
  As  As9  1  0.500  0.500  0.000  1.0
[/CIF]
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The material structure described by Ce5Sb4As is Caswellsilverite-like structured and crystallizes in the tetragonal I4/mmm space group. There are three inequivalent Ce sites. In the first Ce site, Ce(1) is bonded to one Sb(1) and five equivalent Sb(2) atoms to form CeSb6 octahedra that share  a cornercorner with one Ce(3)Sb2As4 octahedra,  a cornercorner with one Ce(2)Sb5As octahedra, corners with four equivalent Ce(1)Sb6 octahedra, edges with four equivalent Ce(2)Sb5As octahedra, and edges with eight equivalent Ce(1)Sb6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the second Ce site, Ce(2) is bonded to one Sb(2), four equivalent Sb(1), and one As(1) atom to form CeSb5As octahedra that share  a cornercorner with one Ce(1)Sb6 octahedra, corners with five equivalent Ce(2)Sb5As octahedra, edges with four equivalent Ce(3)Sb2As4 octahedra, edges with four equivalent Ce(2)Sb5As octahedra, and edges with four equivalent Ce(1)Sb6 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. In the third Ce site, Ce(3) is bonded to two equivalent Sb(1) and four equivalent As(1) atoms to form CeSb2As4 octahedra that share corners with two equivalent Ce(1)Sb6 octahedra, corners with four equivalent Ce(3)Sb2As4 octahedra, edges with four equivalent Ce(3)Sb2As4 octahedra, and edges with eight equivalent Ce(2)Sb5As octahedra. The corner-sharing octahedra are not tilted. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to one Ce(1), one Ce(3), and four equivalent Ce(2) atoms to form SbCe6 octahedra that share  a cornercorner with one Sb(2)Ce6 octahedra, corners with five equivalent Sb(1)Ce6 octahedra, edges with four equivalent Sb(1)Ce6 octahedra, edges with four equivalent Sb(2)Ce6 octahedra, and edges with four equivalent As(1)Ce6 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. In the second Sb site, Sb(2) is bonded to one Ce(2) and five equivalent Ce(1) atoms to form SbCe6 octahedra that share  a cornercorner with one Sb(1)Ce6 octahedra,  a cornercorner with one As(1)Ce6 octahedra, corners with four equivalent Sb(2)Ce6 octahedra, edges with four equivalent Sb(1)Ce6 octahedra, and edges with eight equivalent Sb(2)Ce6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. As(1) is bonded to two equivalent Ce(2) and four equivalent Ce(3) atoms to form AsCe6 octahedra that share corners with two equivalent Sb(2)Ce6 octahedra, corners with four equivalent As(1)Ce6 octahedra, edges with four equivalent As(1)Ce6 octahedra, and edges with eight equivalent Sb(1)Ce6 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF file [CIF]
data_Ce5Sb4As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.963
_cell_length_b   15.963
_cell_length_c   15.963
_cell_angle_alpha   163.956
_cell_angle_beta   163.956
_cell_angle_gamma   22.765
_symmetry_Int_Tables_number   1
_cell_volume   310.599
_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
  Ce  Ce0  1  0.800  0.800  0.000  1.0
  Ce  Ce1  1  0.200  0.200  0.000  1.0
  Ce  Ce2  1  0.596  0.596  0.000  1.0
  Ce  Ce3  1  0.000  0.000  0.000  1.0
  Ce  Ce4  1  0.404  0.404  0.000  1.0
  Sb  Sb5  1  0.900  0.900  0.000  1.0
  Sb  Sb6  1  0.301  0.301  0.000  1.0
  Sb  Sb7  1  0.699  0.699  0.000  1.0
  Sb  Sb8  1  0.100  0.100  0.000  1.0
  As  As9  1  0.500  0.500  0.000  1.0
[/CIF]
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