The crystal structure described by K2Cd3SnAs4 crystallizes in the monoclinic Cm space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 6-coordinate geometry to one As(1), one As(3), two equivalent As(2), and two equivalent As(4) atoms. In the second K site, K(2) is bonded in a 6-coordinate geometry to one As(2), one As(4), two equivalent As(1), and two equivalent As(3) atoms. There are three inequivalent Cd sites. In the first Cd site, Cd(1) is bonded to one As(1), one As(4), and two equivalent As(3) atoms to form distorted CdAs4 tetrahedra that share corners with two equivalent Cd(1)As4 tetrahedra and corners with four equivalent Sn(1)As4 tetrahedra. In the second Cd site, Cd(2) is bonded in a 4-coordinate geometry to one As(1), one As(4), and two equivalent As(2) atoms. In the third Cd site, Cd(3) is bonded in a 4-coordinate geometry to one As(2), one As(3), and two equivalent As(1) atoms. Sn(1) is bonded to one As(2), one As(3), and two equivalent As(4) atoms to form SnAs4 tetrahedra that share corners with two equivalent Sn(1)As4 tetrahedra and corners with four equivalent Cd(1)As4 tetrahedra. There are four inequivalent As sites. In the first As site, As(1) is bonded to one K(1), two equivalent K(2), one Cd(1), one Cd(2), and two equivalent Cd(3) atoms to form distorted edge-sharing AsK3Cd4 pentagonal bipyramids. In the second As site, As(2) is bonded in a 7-coordinate geometry to one K(2), two equivalent K(1), one Cd(3), two equivalent Cd(2), and one Sn(1) atom. In the third As site, As(3) is bonded in a 7-coordinate geometry to one K(1), two equivalent K(2), one Cd(3), two equivalent Cd(1), and one Sn(1) atom. In the fourth As site, As(4) is bonded in a 7-coordinate geometry to one K(2), two equivalent K(1), one Cd(1), one Cd(2), and two equivalent Sn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_K2Cd3SnAs4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.339
_cell_length_b   9.339
_cell_length_c   7.720
_cell_angle_alpha   65.590
_cell_angle_beta   65.590
_cell_angle_gamma   27.542
_symmetry_Int_Tables_number   1
_cell_volume   281.715
_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
  K  K0  1  0.508  0.508  0.488  1.0
  K  K1  1  0.004  0.004  0.000  1.0
  Cd  Cd2  1  0.803  0.803  0.518  1.0
  Cd  Cd3  1  0.677  0.677  0.976  1.0
  Cd  Cd4  1  0.180  0.180  0.503  1.0
  Sn  Sn5  1  0.315  0.315  0.030  1.0
  As  As6  1  0.631  0.631  0.700  1.0
  As  As7  1  0.153  0.153  0.185  1.0
  As  As8  1  0.368  0.368  0.301  1.0
  As  As9  1  0.866  0.866  0.800  1.0
[/CIF]
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The crystal structure described by K2Cd3SnAs4 crystallizes in the monoclinic Cm space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 6-coordinate geometry to one As(1), one As(3), two equivalent As(2), and two equivalent As(4) atoms. In the second K site, K(2) is bonded in a 6-coordinate geometry to one As(2), one As(4), two equivalent As(1), and two equivalent As(3) atoms. There are three inequivalent Cd sites. In the first Cd site, Cd(1) is bonded to one As(1), one As(4), and two equivalent As(3) atoms to form distorted CdAs4 tetrahedra that share corners with two equivalent Cd(1)As4 tetrahedra and corners with four equivalent Sn(1)As4 tetrahedra. In the second Cd site, Cd(2) is bonded in a 4-coordinate geometry to one As(1), one As(4), and two equivalent As(2) atoms. In the third Cd site, Cd(3) is bonded in a 4-coordinate geometry to one As(2), one As(3), and two equivalent As(1) atoms. Sn(1) is bonded to one As(2), one As(3), and two equivalent As(4) atoms to form SnAs4 tetrahedra that share corners with two equivalent Sn(1)As4 tetrahedra and corners with four equivalent Cd(1)As4 tetrahedra. There are four inequivalent As sites. In the first As site, As(1) is bonded to one K(1), two equivalent K(2), one Cd(1), one Cd(2), and two equivalent Cd(3) atoms to form distorted edge-sharing AsK3Cd4 pentagonal bipyramids. In the second As site, As(2) is bonded in a 7-coordinate geometry to one K(2), two equivalent K(1), one Cd(3), two equivalent Cd(2), and one Sn(1) atom. In the third As site, As(3) is bonded in a 7-coordinate geometry to one K(1), two equivalent K(2), one Cd(3), two equivalent Cd(1), and one Sn(1) atom. In the fourth As site, As(4) is bonded in a 7-coordinate geometry to one K(2), two equivalent K(1), one Cd(1), one Cd(2), and two equivalent Sn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_K2Cd3SnAs4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.339
_cell_length_b   9.339
_cell_length_c   7.720
_cell_angle_alpha   65.590
_cell_angle_beta   65.590
_cell_angle_gamma   27.542
_symmetry_Int_Tables_number   1
_cell_volume   281.715
_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
  K  K0  1  0.508  0.508  0.488  1.0
  K  K1  1  0.004  0.004  0.000  1.0
  Cd  Cd2  1  0.803  0.803  0.518  1.0
  Cd  Cd3  1  0.677  0.677  0.976  1.0
  Cd  Cd4  1  0.180  0.180  0.503  1.0
  Sn  Sn5  1  0.315  0.315  0.030  1.0
  As  As6  1  0.631  0.631  0.700  1.0
  As  As7  1  0.153  0.153  0.185  1.0
  As  As8  1  0.368  0.368  0.301  1.0
  As  As9  1  0.866  0.866  0.800  1.0
[/CIF]
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