The material described by RbCd4As3 crystallizes in the trigonal R-3m space group. Rb(1) is bonded in a 6-coordinate geometry to six equivalent As(1) atoms. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a 3-coordinate geometry to one As(2) and three equivalent As(1) atoms. In the second Cd site, Cd(2) is bonded to one As(1) and three equivalent As(2) atoms to form a mixture of corner and edge-sharing CdAs4 tetrahedra. There are two inequivalent As sites. In the first As site, As(1) is bonded in a 7-coordinate geometry to three equivalent Rb(1), one Cd(2), and three equivalent Cd(1) atoms. In the second As site, As(2) is bonded in a body-centered cubic geometry to two equivalent Cd(1) and six equivalent Cd(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_RbCd4As3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.578
_cell_length_b   4.578
_cell_length_c   12.750
_cell_angle_alpha   79.658
_cell_angle_beta   79.658
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   226.377
_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
  Rb  Rb0  1  0.500  0.500  0.500  1.0
  Cd  Cd1  1  0.914  0.914  0.259  1.0
  Cd  Cd2  1  0.086  0.086  0.741  1.0
  Cd  Cd3  1  0.697  0.697  0.908  1.0
  Cd  Cd4  1  0.303  0.303  0.092  1.0
  As  As5  1  0.769  0.769  0.693  1.0
  As  As6  1  0.231  0.231  0.307  1.0
  As  As7  1  0.000  0.000  0.000  1.0
[/CIF]
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The material described by RbCd4As3 crystallizes in the trigonal R-3m space group. Rb(1) is bonded in a 6-coordinate geometry to six equivalent As(1) atoms. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a 3-coordinate geometry to one As(2) and three equivalent As(1) atoms. In the second Cd site, Cd(2) is bonded to one As(1) and three equivalent As(2) atoms to form a mixture of corner and edge-sharing CdAs4 tetrahedra. There are two inequivalent As sites. In the first As site, As(1) is bonded in a 7-coordinate geometry to three equivalent Rb(1), one Cd(2), and three equivalent Cd(1) atoms. In the second As site, As(2) is bonded in a body-centered cubic geometry to two equivalent Cd(1) and six equivalent Cd(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_RbCd4As3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.578
_cell_length_b   4.578
_cell_length_c   12.750
_cell_angle_alpha   79.658
_cell_angle_beta   79.658
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   226.377
_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
  Rb  Rb0  1  0.500  0.500  0.500  1.0
  Cd  Cd1  1  0.914  0.914  0.259  1.0
  Cd  Cd2  1  0.086  0.086  0.741  1.0
  Cd  Cd3  1  0.697  0.697  0.908  1.0
  Cd  Cd4  1  0.303  0.303  0.092  1.0
  As  As5  1  0.769  0.769  0.693  1.0
  As  As6  1  0.231  0.231  0.307  1.0
  As  As7  1  0.000  0.000  0.000  1.0
[/CIF]
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