The material described by K12Ag4CAs8Se20O crystallizes in the triclinic P1 space group. There are twelve inequivalent K sites. In the first K site, K(1) is bonded in a 6-coordinate geometry to one As(1), one Se(11), one Se(14), one Se(16), one Se(18), one Se(3), and one Se(5) atom. In the second K site, K(2) is bonded in a 8-coordinate geometry to one As(2), one Se(12), one Se(13), one Se(15), one Se(17), one Se(4), one Se(6), and one Se(9) atom. In the third K site, K(3) is bonded in a 5-coordinate geometry to one As(3), one Se(1), one Se(12), one Se(14), one Se(16), one Se(7), and one Se(9) atom. In the fourth K site, K(4) is bonded in a 7-coordinate geometry to one As(4), one Se(10), one Se(11), one Se(13), one Se(15), one Se(2), and one Se(8) atom. In the fifth K site, K(5) is bonded in a 9-coordinate geometry to one Ag(1), one C(1), one Se(1), one Se(13), one Se(18), one Se(4), one Se(5), one Se(6), and one Se(9) atom. In the sixth K site, K(6) is bonded in a distorted single-bond geometry to one Se(10), one Se(17), one Se(3), one Se(5), one Se(6), and one O(1) atom. In the seventh K site, K(7) is bonded in a 5-coordinate geometry to one C(1), one Se(11), one Se(15), one Se(2), one Se(7), and one Se(8) atom. In the eighth K site, K(8) is bonded in a 7-coordinate geometry to one Ag(4), one Se(1), one Se(12), one Se(16), one Se(19), one Se(7), and one Se(8) atom. In the ninth K site, K(9) is bonded in a 6-coordinate geometry to one As(7), one Se(11), one Se(16), one Se(3), one Se(5), and one Se(8) atom. In the tenth K site, K(10) is bonded in a 6-coordinate geometry to one As(8), one Se(12), one Se(15), one Se(4), one Se(6), and one Se(7) atom. In the eleventh K site, K(11) is bonded in a 1-coordinate geometry to one Se(1), one Se(6), one Se(7), one Se(9), and one O(1) atom. In the twelfth K site, K(12) is bonded in a 7-coordinate geometry to one C(1), one As(1), one As(6), one Se(10), one Se(13), one Se(2), one Se(5), and one Se(8) atom. There are four inequivalent Ag sites. In the first Ag site, Ag(1) is bonded to one K(5), one Se(1), one Se(11), one Se(5), and one Se(9) atom to form distorted AgKSe4 tetrahedra that share  a cornercorner with one As(3)KSe3 tetrahedra and  an edgeedge with one Ag(3)Se4 tetrahedra. In the second Ag site, Ag(2) is bonded to one Se(10), one Se(12), one Se(2), and one Se(6) atom to form distorted AgSe4 tetrahedra that share  a cornercorner with one As(4)KSe3 tetrahedra and  an edgeedge with one Ag(4)KSe4 tetrahedra. In the third Ag site, Ag(3) is bonded to one Se(11), one Se(3), one Se(7), and one Se(9) atom to form distorted AgSe4 tetrahedra that share  a cornercorner with one As(3)KSe3 tetrahedra and  an edgeedge with one Ag(1)KSe4 tetrahedra. In the fourth Ag site, Ag(4) is bonded to one K(8), one Se(10), one Se(12), one Se(4), and one Se(8) atom to form distorted AgKSe4 tetrahedra that share  a cornercorner with one Se(16)K4As square pyramid,  a cornercorner with one As(4)KSe3 tetrahedra, and  an edgeedge with one Ag(2)Se4 tetrahedra. C(1) is bonded in a 3-coordinate geometry to one K(12), one K(5), one K(7), and one Se(13) atom. There are eight inequivalent As sites. In the first As site, As(1) is bonded in a 5-coordinate geometry to one K(1), one K(12), one Se(13), one Se(17), and one Se(9) atom. In the second As site, As(2) is bonded in a 3-coordinate geometry to one K(2), one Se(10), one Se(14), and one Se(18) atom. In the third As site, As(3) is bonded to one K(3), one Se(11), one Se(15), and one Se(19) atom to form distorted AsKSe3 tetrahedra that share  a cornercorner with one Se(16)K4As square pyramid,  a cornercorner with one Ag(1)KSe4 tetrahedra, and  a cornercorner with one Ag(3)Se4 tetrahedra. In the fourth As site, As(4) is bonded to one K(4), one Se(12), one Se(16), and one Se(20) atom to form distorted AsKSe3 tetrahedra that share  a cornercorner with one Se(15)K4As square pyramid,  a cornercorner with one Ag(4)KSe4 tetrahedra, and  a cornercorner with one Ag(2)Se4 tetrahedra. In the fifth As site, As(5) is bonded in a 3-coordinate geometry to one Se(17), one Se(3), and one Se(5) atom. In the sixth As site, As(6) is bonded in a 4-coordinate geometry to one K(12), one Se(18), one Se(4), and one Se(6) atom. In the seventh As site, As(7) is bonded in a 3-coordinate geometry to one K(9), one Se(1), one Se(19), and one Se(7) atom. In the eighth As site, As(8) is bonded in a 4-coordinate geometry to one K(10), one Se(2), one Se(20), and one Se(8) atom. There are twenty inequivalent Se sites. In the first Se site, Se(1) is bonded in a 6-coordinate geometry to one K(11), one K(3), one K(5), one K(8), one Ag(1), and one As(7) atom. In the second Se site, Se(2) is bonded in a 5-coordinate geometry to one K(12), one K(4), one K(7), one Ag(2), and one As(8) atom. In the third Se site, Se(3) is bonded to one K(1), one K(6), one K(9), one Ag(3), and one As(5) atom to form distorted corner-sharing SeK3AgAs trigonal bipyramids. In the fourth Se site, Se(4) is bonded in a 5-coordinate geometry to one K(10), one K(2), one K(5), one Ag(4), and one As(6) atom. In the fifth Se site, Se(5) is bonded in a 7-coordinate geometry to one K(1), one K(12), one K(5), one K(6), one K(9), one Ag(1), and one As(5) atom. In the sixth Se site, Se(6) is bonded in a 7-coordinate geometry to one K(10), one K(11), one K(2), one K(5), one K(6), one Ag(2), and one As(6) atom. In the seventh Se site, Se(7) is bonded in a 7-coordinate geometry to one K(10), one K(11), one K(3), one K(7), one K(8), one Ag(3), and one As(7) atom. In the eighth Se site, Se(8) is bonded in a 7-coordinate geometry to one K(12), one K(4), one K(7), one K(8), one K(9), one Ag(4), and one As(8) atom. In the ninth Se site, Se(9) is bonded in a 7-coordinate geometry to one K(11), one K(2), one K(3), one K(5), one Ag(1), one Ag(3), and one As(1) atom. In the tenth Se site, Se(10) is bonded in a 6-coordinate geometry to one K(12), one K(4), one K(6), one Ag(2), one Ag(4), and one As(2) atom. In the eleventh Se site, Se(11) is bonded in a 7-coordinate geometry to one K(1), one K(4), one K(7), one K(9), one Ag(1), one Ag(3), and one As(3) atom. In the twelfth Se site, Se(12) is bonded in a 7-coordinate geometry to one K(10), one K(2), one K(3), one K(8), one Ag(2), one Ag(4), and one As(4) atom. In the thirteenth Se site, Se(13) is bonded in a 6-coordinate geometry to one K(12), one K(2), one K(4), one K(5), one C(1), and one As(1) atom. In the fourteenth Se site, Se(14) is bonded in a distorted single-bond geometry to one K(1), one K(3), one As(2), and one O(1) atom. In the fifteenth Se site, Se(15) is bonded to one K(10), one K(2), one K(4), one K(7), and one As(3) atom to form SeK4As square pyramids that share  a cornercorner with one As(4)KSe3 tetrahedra. In the sixteenth Se site, Se(16) is bonded to one K(1), one K(3), one K(8), one K(9), and one As(4) atom to form SeK4As square pyramids that share  a cornercorner with one Ag(4)KSe4 tetrahedra,  a cornercorner with one As(3)KSe3 tetrahedra, and corners with two equivalent Se(3)K3AgAs trigonal bipyramids. In the seventeenth Se site, Se(17) is bonded in a 4-coordinate geometry to one K(2), one K(6), one As(1), and one As(5) atom. In the eighteenth Se site, Se(18) is bonded in a 4-coordinate geometry to one K(1), one K(5), one As(2), and one As(6) atom. In the nineteenth Se site, Se(19) is bonded in a distorted water-like geometry to one K(8), one As(3), and one As(7) atom. In the twentieth Se site, Se(20) is bonded in a distorted water-like geometry to one As(4) and one As(8) atom. O(1) is bonded in a distorted trigonal non-coplanar geometry to one K(11), one K(6), and one Se(14) atom. is represented by the CIF card [CIF]
data_K12Ag4As8CSe20O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.402
_cell_length_b   11.872
_cell_length_c   13.208
_cell_angle_alpha   90.191
_cell_angle_beta   106.743
_cell_angle_gamma   90.195
_symmetry_Int_Tables_number   1
_cell_volume   1411.736
_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  0.538  0.285  0.573  1.0
  K  K1  1  0.446  0.798  0.917  1.0
  K  K2  1  0.463  0.704  0.417  1.0
  K  K3  1  0.528  0.200  0.080  1.0
  K  K4  1  0.860  0.851  0.764  1.0
  K  K5  1  0.139  0.364  0.708  1.0
  K  K6  1  0.134  0.124  0.194  1.0
  K  K7  1  0.862  0.626  0.301  1.0
  K  K8  1  0.850  0.252  0.396  1.0
  K  K9  1  0.145  0.749  0.105  1.0
  K  K10  1  0.155  0.743  0.603  1.0
  K  K11  1  0.838  0.258  0.879  1.0
  Ag  Ag12  1  0.665  0.993  0.534  1.0
  Ag  Ag13  1  0.327  0.492  0.966  1.0
  Ag  Ag14  1  0.331  0.007  0.461  1.0
  Ag  Ag15  1  0.665  0.509  0.039  1.0
  As  As16  1  0.502  0.079  0.751  1.0
  As  As17  1  0.495  0.569  0.749  1.0
  As  As18  1  0.506  0.925  0.255  1.0
  As  As19  1  0.488  0.428  0.247  1.0
  As  As20  1  0.091  0.055  0.615  1.0
  As  As21  1  0.896  0.553  0.880  1.0
  As  As22  1  0.917  0.943  0.393  1.0
  As  As23  1  0.080  0.444  0.109  1.0
  C  C24  1  0.910  0.041  0.976  1.0
  Se  Se25  1  0.809  0.809  0.486  1.0
  Se  Se26  1  0.184  0.312  0.014  1.0
  Se  Se27  1  0.190  0.186  0.517  1.0
  Se  Se28  1  0.796  0.688  0.975  1.0
  Se  Se29  1  0.876  0.142  0.650  1.0
  Se  Se30  1  0.112  0.639  0.847  1.0
  Se  Se31  1  0.127  0.852  0.353  1.0
  Se  Se32  1  0.867  0.354  0.147  1.0
  Se  Se33  1  0.497  0.903  0.655  1.0
  Se  Se34  1  0.501  0.397  0.850  1.0
  Se  Se35  1  0.512  0.102  0.350  1.0
  Se  Se36  1  0.486  0.603  0.149  1.0
  Se  Se37  1  0.731  0.991  0.952  1.0
  Se  Se38  1  0.341  0.519  0.567  1.0
  Se  Se39  1  0.346  0.967  0.083  1.0
  Se  Se40  1  0.650  0.470  0.417  1.0
  Se  Se41  1  0.277  0.066  0.800  1.0
  Se  Se42  1  0.721  0.566  0.694  1.0
  Se  Se43  1  0.742  0.930  0.210  1.0
  Se  Se44  1  0.250  0.434  0.292  1.0
  O  O45  1  0.157  0.525  0.576  1.0
[/CIF]
.
The material described by K12Ag4CAs8Se20O crystallizes in the triclinic P1 space group. There are twelve inequivalent K sites. In the first K site, K(1) is bonded in a 6-coordinate geometry to one As(1), one Se(11), one Se(14), one Se(16), one Se(18), one Se(3), and one Se(5) atom. In the second K site, K(2) is bonded in a 8-coordinate geometry to one As(2), one Se(12), one Se(13), one Se(15), one Se(17), one Se(4), one Se(6), and one Se(9) atom. In the third K site, K(3) is bonded in a 5-coordinate geometry to one As(3), one Se(1), one Se(12), one Se(14), one Se(16), one Se(7), and one Se(9) atom. In the fourth K site, K(4) is bonded in a 7-coordinate geometry to one As(4), one Se(10), one Se(11), one Se(13), one Se(15), one Se(2), and one Se(8) atom. In the fifth K site, K(5) is bonded in a 9-coordinate geometry to one Ag(1), one C(1), one Se(1), one Se(13), one Se(18), one Se(4), one Se(5), one Se(6), and one Se(9) atom. In the sixth K site, K(6) is bonded in a distorted single-bond geometry to one Se(10), one Se(17), one Se(3), one Se(5), one Se(6), and one O(1) atom. In the seventh K site, K(7) is bonded in a 5-coordinate geometry to one C(1), one Se(11), one Se(15), one Se(2), one Se(7), and one Se(8) atom. In the eighth K site, K(8) is bonded in a 7-coordinate geometry to one Ag(4), one Se(1), one Se(12), one Se(16), one Se(19), one Se(7), and one Se(8) atom. In the ninth K site, K(9) is bonded in a 6-coordinate geometry to one As(7), one Se(11), one Se(16), one Se(3), one Se(5), and one Se(8) atom. In the tenth K site, K(10) is bonded in a 6-coordinate geometry to one As(8), one Se(12), one Se(15), one Se(4), one Se(6), and one Se(7) atom. In the eleventh K site, K(11) is bonded in a 1-coordinate geometry to one Se(1), one Se(6), one Se(7), one Se(9), and one O(1) atom. In the twelfth K site, K(12) is bonded in a 7-coordinate geometry to one C(1), one As(1), one As(6), one Se(10), one Se(13), one Se(2), one Se(5), and one Se(8) atom. There are four inequivalent Ag sites. In the first Ag site, Ag(1) is bonded to one K(5), one Se(1), one Se(11), one Se(5), and one Se(9) atom to form distorted AgKSe4 tetrahedra that share  a cornercorner with one As(3)KSe3 tetrahedra and  an edgeedge with one Ag(3)Se4 tetrahedra. In the second Ag site, Ag(2) is bonded to one Se(10), one Se(12), one Se(2), and one Se(6) atom to form distorted AgSe4 tetrahedra that share  a cornercorner with one As(4)KSe3 tetrahedra and  an edgeedge with one Ag(4)KSe4 tetrahedra. In the third Ag site, Ag(3) is bonded to one Se(11), one Se(3), one Se(7), and one Se(9) atom to form distorted AgSe4 tetrahedra that share  a cornercorner with one As(3)KSe3 tetrahedra and  an edgeedge with one Ag(1)KSe4 tetrahedra. In the fourth Ag site, Ag(4) is bonded to one K(8), one Se(10), one Se(12), one Se(4), and one Se(8) atom to form distorted AgKSe4 tetrahedra that share  a cornercorner with one Se(16)K4As square pyramid,  a cornercorner with one As(4)KSe3 tetrahedra, and  an edgeedge with one Ag(2)Se4 tetrahedra. C(1) is bonded in a 3-coordinate geometry to one K(12), one K(5), one K(7), and one Se(13) atom. There are eight inequivalent As sites. In the first As site, As(1) is bonded in a 5-coordinate geometry to one K(1), one K(12), one Se(13), one Se(17), and one Se(9) atom. In the second As site, As(2) is bonded in a 3-coordinate geometry to one K(2), one Se(10), one Se(14), and one Se(18) atom. In the third As site, As(3) is bonded to one K(3), one Se(11), one Se(15), and one Se(19) atom to form distorted AsKSe3 tetrahedra that share  a cornercorner with one Se(16)K4As square pyramid,  a cornercorner with one Ag(1)KSe4 tetrahedra, and  a cornercorner with one Ag(3)Se4 tetrahedra. In the fourth As site, As(4) is bonded to one K(4), one Se(12), one Se(16), and one Se(20) atom to form distorted AsKSe3 tetrahedra that share  a cornercorner with one Se(15)K4As square pyramid,  a cornercorner with one Ag(4)KSe4 tetrahedra, and  a cornercorner with one Ag(2)Se4 tetrahedra. In the fifth As site, As(5) is bonded in a 3-coordinate geometry to one Se(17), one Se(3), and one Se(5) atom. In the sixth As site, As(6) is bonded in a 4-coordinate geometry to one K(12), one Se(18), one Se(4), and one Se(6) atom. In the seventh As site, As(7) is bonded in a 3-coordinate geometry to one K(9), one Se(1), one Se(19), and one Se(7) atom. In the eighth As site, As(8) is bonded in a 4-coordinate geometry to one K(10), one Se(2), one Se(20), and one Se(8) atom. There are twenty inequivalent Se sites. In the first Se site, Se(1) is bonded in a 6-coordinate geometry to one K(11), one K(3), one K(5), one K(8), one Ag(1), and one As(7) atom. In the second Se site, Se(2) is bonded in a 5-coordinate geometry to one K(12), one K(4), one K(7), one Ag(2), and one As(8) atom. In the third Se site, Se(3) is bonded to one K(1), one K(6), one K(9), one Ag(3), and one As(5) atom to form distorted corner-sharing SeK3AgAs trigonal bipyramids. In the fourth Se site, Se(4) is bonded in a 5-coordinate geometry to one K(10), one K(2), one K(5), one Ag(4), and one As(6) atom. In the fifth Se site, Se(5) is bonded in a 7-coordinate geometry to one K(1), one K(12), one K(5), one K(6), one K(9), one Ag(1), and one As(5) atom. In the sixth Se site, Se(6) is bonded in a 7-coordinate geometry to one K(10), one K(11), one K(2), one K(5), one K(6), one Ag(2), and one As(6) atom. In the seventh Se site, Se(7) is bonded in a 7-coordinate geometry to one K(10), one K(11), one K(3), one K(7), one K(8), one Ag(3), and one As(7) atom. In the eighth Se site, Se(8) is bonded in a 7-coordinate geometry to one K(12), one K(4), one K(7), one K(8), one K(9), one Ag(4), and one As(8) atom. In the ninth Se site, Se(9) is bonded in a 7-coordinate geometry to one K(11), one K(2), one K(3), one K(5), one Ag(1), one Ag(3), and one As(1) atom. In the tenth Se site, Se(10) is bonded in a 6-coordinate geometry to one K(12), one K(4), one K(6), one Ag(2), one Ag(4), and one As(2) atom. In the eleventh Se site, Se(11) is bonded in a 7-coordinate geometry to one K(1), one K(4), one K(7), one K(9), one Ag(1), one Ag(3), and one As(3) atom. In the twelfth Se site, Se(12) is bonded in a 7-coordinate geometry to one K(10), one K(2), one K(3), one K(8), one Ag(2), one Ag(4), and one As(4) atom. In the thirteenth Se site, Se(13) is bonded in a 6-coordinate geometry to one K(12), one K(2), one K(4), one K(5), one C(1), and one As(1) atom. In the fourteenth Se site, Se(14) is bonded in a distorted single-bond geometry to one K(1), one K(3), one As(2), and one O(1) atom. In the fifteenth Se site, Se(15) is bonded to one K(10), one K(2), one K(4), one K(7), and one As(3) atom to form SeK4As square pyramids that share  a cornercorner with one As(4)KSe3 tetrahedra. In the sixteenth Se site, Se(16) is bonded to one K(1), one K(3), one K(8), one K(9), and one As(4) atom to form SeK4As square pyramids that share  a cornercorner with one Ag(4)KSe4 tetrahedra,  a cornercorner with one As(3)KSe3 tetrahedra, and corners with two equivalent Se(3)K3AgAs trigonal bipyramids. In the seventeenth Se site, Se(17) is bonded in a 4-coordinate geometry to one K(2), one K(6), one As(1), and one As(5) atom. In the eighteenth Se site, Se(18) is bonded in a 4-coordinate geometry to one K(1), one K(5), one As(2), and one As(6) atom. In the nineteenth Se site, Se(19) is bonded in a distorted water-like geometry to one K(8), one As(3), and one As(7) atom. In the twentieth Se site, Se(20) is bonded in a distorted water-like geometry to one As(4) and one As(8) atom. O(1) is bonded in a distorted trigonal non-coplanar geometry to one K(11), one K(6), and one Se(14) atom. is represented by the CIF card [CIF]
data_K12Ag4As8CSe20O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.402
_cell_length_b   11.872
_cell_length_c   13.208
_cell_angle_alpha   90.191
_cell_angle_beta   106.743
_cell_angle_gamma   90.195
_symmetry_Int_Tables_number   1
_cell_volume   1411.736
_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  0.538  0.285  0.573  1.0
  K  K1  1  0.446  0.798  0.917  1.0
  K  K2  1  0.463  0.704  0.417  1.0
  K  K3  1  0.528  0.200  0.080  1.0
  K  K4  1  0.860  0.851  0.764  1.0
  K  K5  1  0.139  0.364  0.708  1.0
  K  K6  1  0.134  0.124  0.194  1.0
  K  K7  1  0.862  0.626  0.301  1.0
  K  K8  1  0.850  0.252  0.396  1.0
  K  K9  1  0.145  0.749  0.105  1.0
  K  K10  1  0.155  0.743  0.603  1.0
  K  K11  1  0.838  0.258  0.879  1.0
  Ag  Ag12  1  0.665  0.993  0.534  1.0
  Ag  Ag13  1  0.327  0.492  0.966  1.0
  Ag  Ag14  1  0.331  0.007  0.461  1.0
  Ag  Ag15  1  0.665  0.509  0.039  1.0
  As  As16  1  0.502  0.079  0.751  1.0
  As  As17  1  0.495  0.569  0.749  1.0
  As  As18  1  0.506  0.925  0.255  1.0
  As  As19  1  0.488  0.428  0.247  1.0
  As  As20  1  0.091  0.055  0.615  1.0
  As  As21  1  0.896  0.553  0.880  1.0
  As  As22  1  0.917  0.943  0.393  1.0
  As  As23  1  0.080  0.444  0.109  1.0
  C  C24  1  0.910  0.041  0.976  1.0
  Se  Se25  1  0.809  0.809  0.486  1.0
  Se  Se26  1  0.184  0.312  0.014  1.0
  Se  Se27  1  0.190  0.186  0.517  1.0
  Se  Se28  1  0.796  0.688  0.975  1.0
  Se  Se29  1  0.876  0.142  0.650  1.0
  Se  Se30  1  0.112  0.639  0.847  1.0
  Se  Se31  1  0.127  0.852  0.353  1.0
  Se  Se32  1  0.867  0.354  0.147  1.0
  Se  Se33  1  0.497  0.903  0.655  1.0
  Se  Se34  1  0.501  0.397  0.850  1.0
  Se  Se35  1  0.512  0.102  0.350  1.0
  Se  Se36  1  0.486  0.603  0.149  1.0
  Se  Se37  1  0.731  0.991  0.952  1.0
  Se  Se38  1  0.341  0.519  0.567  1.0
  Se  Se39  1  0.346  0.967  0.083  1.0
  Se  Se40  1  0.650  0.470  0.417  1.0
  Se  Se41  1  0.277  0.066  0.800  1.0
  Se  Se42  1  0.721  0.566  0.694  1.0
  Se  Se43  1  0.742  0.930  0.210  1.0
  Se  Se44  1  0.250  0.434  0.292  1.0
  O  O45  1  0.157  0.525  0.576  1.0
[/CIF]
.