The compound described by K(SiAs)3 crystallizes in the orthorhombic Pbam space group. K(1) is bonded in a 6-coordinate geometry to two equivalent As(2) and four equivalent As(1) atoms. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded to one Si(1), one As(2), and two equivalent As(3) atoms to form SiSiAs3 tetrahedra that share corners with two equivalent Si(2)Si2As2 tetrahedra, corners with two equivalent Si(1)SiAs3 tetrahedra, and  a cornercorner with one As(2)K2Si3 trigonal bipyramid. In the second Si site, Si(2) is bonded to one Si(2), one Si(3), and two equivalent As(2) atoms to form distorted SiSi2As2 tetrahedra that share corners with two equivalent Si(2)Si2As2 tetrahedra, corners with two equivalent Si(1)SiAs3 tetrahedra, and corners with two equivalent As(2)K2Si3 trigonal bipyramids. In the third Si site, Si(3) is bonded in a 3-coordinate geometry to one Si(2), one As(3), and two equivalent As(1) atoms. There are three inequivalent As sites. In the first As site, As(1) is bonded in a 6-coordinate geometry to four equivalent K(1) and two equivalent Si(3) atoms. In the second As site, As(2) is bonded to two equivalent K(1), one Si(1), and two equivalent Si(2) atoms to form distorted AsK2Si3 trigonal bipyramids that share  a cornercorner with one Si(1)SiAs3 tetrahedra, corners with two equivalent Si(2)Si2As2 tetrahedra, and edges with two equivalent As(2)K2Si3 trigonal bipyramids. In the third As site, As(3) is bonded in a 3-coordinate geometry to one Si(3) and two equivalent Si(1) atoms. is represented by the CIF file [CIF]
data_K(SiAs)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.682
_cell_length_b   10.082
_cell_length_c   19.296
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   716.356
_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
  K  K0  1  0.000  0.307  0.304  1.0
  K  K1  1  0.000  0.693  0.696  1.0
  K  K2  1  0.000  0.193  0.804  1.0
  K  K3  1  0.000  0.807  0.196  1.0
  Si  Si4  1  0.500  0.407  0.036  1.0
  Si  Si5  1  0.500  0.593  0.964  1.0
  Si  Si6  1  0.500  0.093  0.536  1.0
  Si  Si7  1  0.500  0.907  0.464  1.0
  Si  Si8  1  0.000  0.112  0.015  1.0
  Si  Si9  1  0.000  0.888  0.985  1.0
  Si  Si10  1  0.000  0.388  0.515  1.0
  Si  Si11  1  0.000  0.612  0.485  1.0
  Si  Si12  1  0.000  0.173  0.132  1.0
  Si  Si13  1  0.000  0.827  0.868  1.0
  Si  Si14  1  0.000  0.327  0.632  1.0
  Si  Si15  1  0.000  0.673  0.368  1.0
  As  As16  1  0.500  0.102  0.196  1.0
  As  As17  1  0.500  0.898  0.804  1.0
  As  As18  1  0.500  0.398  0.696  1.0
  As  As19  1  0.500  0.602  0.304  1.0
  As  As20  1  0.500  0.282  0.459  1.0
  As  As21  1  0.500  0.718  0.541  1.0
  As  As22  1  0.500  0.218  0.959  1.0
  As  As23  1  0.500  0.782  0.041  1.0
  As  As24  1  0.000  0.412  0.114  1.0
  As  As25  1  0.000  0.588  0.886  1.0
  As  As26  1  0.000  0.088  0.614  1.0
  As  As27  1  0.000  0.912  0.386  1.0
[/CIF]
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The compound described by K(SiAs)3 crystallizes in the orthorhombic Pbam space group. K(1) is bonded in a 6-coordinate geometry to two equivalent As(2) and four equivalent As(1) atoms. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded to one Si(1), one As(2), and two equivalent As(3) atoms to form SiSiAs3 tetrahedra that share corners with two equivalent Si(2)Si2As2 tetrahedra, corners with two equivalent Si(1)SiAs3 tetrahedra, and  a cornercorner with one As(2)K2Si3 trigonal bipyramid. In the second Si site, Si(2) is bonded to one Si(2), one Si(3), and two equivalent As(2) atoms to form distorted SiSi2As2 tetrahedra that share corners with two equivalent Si(2)Si2As2 tetrahedra, corners with two equivalent Si(1)SiAs3 tetrahedra, and corners with two equivalent As(2)K2Si3 trigonal bipyramids. In the third Si site, Si(3) is bonded in a 3-coordinate geometry to one Si(2), one As(3), and two equivalent As(1) atoms. There are three inequivalent As sites. In the first As site, As(1) is bonded in a 6-coordinate geometry to four equivalent K(1) and two equivalent Si(3) atoms. In the second As site, As(2) is bonded to two equivalent K(1), one Si(1), and two equivalent Si(2) atoms to form distorted AsK2Si3 trigonal bipyramids that share  a cornercorner with one Si(1)SiAs3 tetrahedra, corners with two equivalent Si(2)Si2As2 tetrahedra, and edges with two equivalent As(2)K2Si3 trigonal bipyramids. In the third As site, As(3) is bonded in a 3-coordinate geometry to one Si(3) and two equivalent Si(1) atoms. is represented by the CIF file [CIF]
data_K(SiAs)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.682
_cell_length_b   10.082
_cell_length_c   19.296
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   716.356
_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
  K  K0  1  0.000  0.307  0.304  1.0
  K  K1  1  0.000  0.693  0.696  1.0
  K  K2  1  0.000  0.193  0.804  1.0
  K  K3  1  0.000  0.807  0.196  1.0
  Si  Si4  1  0.500  0.407  0.036  1.0
  Si  Si5  1  0.500  0.593  0.964  1.0
  Si  Si6  1  0.500  0.093  0.536  1.0
  Si  Si7  1  0.500  0.907  0.464  1.0
  Si  Si8  1  0.000  0.112  0.015  1.0
  Si  Si9  1  0.000  0.888  0.985  1.0
  Si  Si10  1  0.000  0.388  0.515  1.0
  Si  Si11  1  0.000  0.612  0.485  1.0
  Si  Si12  1  0.000  0.173  0.132  1.0
  Si  Si13  1  0.000  0.827  0.868  1.0
  Si  Si14  1  0.000  0.327  0.632  1.0
  Si  Si15  1  0.000  0.673  0.368  1.0
  As  As16  1  0.500  0.102  0.196  1.0
  As  As17  1  0.500  0.898  0.804  1.0
  As  As18  1  0.500  0.398  0.696  1.0
  As  As19  1  0.500  0.602  0.304  1.0
  As  As20  1  0.500  0.282  0.459  1.0
  As  As21  1  0.500  0.718  0.541  1.0
  As  As22  1  0.500  0.218  0.959  1.0
  As  As23  1  0.500  0.782  0.041  1.0
  As  As24  1  0.000  0.412  0.114  1.0
  As  As25  1  0.000  0.588  0.886  1.0
  As  As26  1  0.000  0.088  0.614  1.0
  As  As27  1  0.000  0.912  0.386  1.0
[/CIF]
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