The material described by CeAsS is Matlockite structured and crystallizes in the orthorhombic Pnma space group. Ce(1) is bonded in a 9-coordinate geometry to four equivalent As(1) and five equivalent S(1) atoms. As(1) is bonded in a 8-coordinate geometry to four equivalent Ce(1) and four equivalent As(1) atoms. S(1) is bonded to five equivalent Ce(1) atoms to form a mixture of distorted edge and corner-sharing SCe5 trigonal bipyramids. is represented by the CIF card [CIF]
data_CeAsS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.939
_cell_length_b   3.943
_cell_length_c   8.495
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   131.951
_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
  As  As0  1  0.250  0.750  0.001  1.0
  As  As1  1  0.750  0.250  0.999  1.0
  Ce  Ce2  1  0.250  0.250  0.710  1.0
  Ce  Ce3  1  0.750  0.750  0.290  1.0
  S  S4  1  0.250  0.250  0.367  1.0
  S  S5  1  0.750  0.750  0.633  1.0
[/CIF]
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The material described by CeAsS is Matlockite structured and crystallizes in the orthorhombic Pnma space group. Ce(1) is bonded in a 9-coordinate geometry to four equivalent As(1) and five equivalent S(1) atoms. As(1) is bonded in a 8-coordinate geometry to four equivalent Ce(1) and four equivalent As(1) atoms. S(1) is bonded to five equivalent Ce(1) atoms to form a mixture of distorted edge and corner-sharing SCe5 trigonal bipyramids. is represented by the CIF card [CIF]
data_CeAsS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.939
_cell_length_b   3.943
_cell_length_c   8.495
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   131.951
_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
  As  As0  1  0.250  0.750  0.001  1.0
  As  As1  1  0.750  0.250  0.999  1.0
  Ce  Ce2  1  0.250  0.250  0.710  1.0
  Ce  Ce3  1  0.750  0.750  0.290  1.0
  S  S4  1  0.250  0.250  0.367  1.0
  S  S5  1  0.750  0.750  0.633  1.0
[/CIF]
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