The crystal structure described by K4MgNb2(AgS4)2 crystallizes in the monoclinic C2 space group. There are four inequivalent K sites. In the first K site, K(1) is bonded in a 6-coordinate geometry to two equivalent S(1), two equivalent S(2), and two equivalent S(4) atoms. In the second K site, K(2) is bonded in a 6-coordinate geometry to two equivalent S(2), two equivalent S(3), and two equivalent S(4) atoms. In the third K site, K(3) is bonded in a 8-coordinate geometry to two equivalent S(2), two equivalent S(3), and four equivalent S(1) atoms. In the fourth K site, K(4) is bonded in a 6-coordinate geometry to two equivalent S(1) and four equivalent S(3) atoms. Mg(1) is bonded in a 4-coordinate geometry to two equivalent S(2) and two equivalent S(4) atoms. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a tetrahedral geometry to two equivalent S(3) and two equivalent S(4) atoms. In the second Nb site, Nb(2) is bonded to two equivalent S(1) and two equivalent S(2) atoms to form NbS4 tetrahedra that share edges with two equivalent Ag(2)S4 tetrahedra. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a 4-coordinate geometry to two equivalent S(3) and two equivalent S(4) atoms. In the second Ag site, Ag(2) is bonded to two equivalent S(1) and two equivalent S(2) atoms to form distorted AgS4 tetrahedra that share edges with two equivalent Nb(2)S4 tetrahedra. There are four inequivalent S sites. In the first S site, S(1) is bonded in a 6-coordinate geometry to one K(1), one K(4), two equivalent K(3), one Nb(2), and one Ag(2) atom. In the second S site, S(2) is bonded in a 6-coordinate geometry to one K(1), one K(2), one K(3), one Mg(1), one Nb(2), and one Ag(2) atom. In the third S site, S(3) is bonded in a 6-coordinate geometry to one K(2), one K(3), two equivalent K(4), one Nb(1), and one Ag(1) atom. In the fourth S site, S(4) is bonded in a 5-coordinate geometry to one K(1), one K(2), one Mg(1), one Nb(1), and one Ag(1) atom. is represented by the CIF file [CIF]
data_K4MgNb2(AgS4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.031
_cell_length_b   7.591
_cell_length_c   12.015
_cell_angle_alpha   83.526
_cell_angle_beta   75.474
_cell_angle_gamma   63.309
_symmetry_Int_Tables_number   1
_cell_volume   475.721
_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  0.179  0.250  0.642  1.0
  K  K1  1  0.806  0.750  0.389  1.0
  K  K2  1  0.553  0.250  0.892  1.0
  K  K3  1  0.449  0.749  0.103  1.0
  Mg  Mg4  1  0.751  0.250  0.498  1.0
  Nb  Nb5  1  0.376  0.250  0.248  1.0
  Nb  Nb6  1  0.626  0.750  0.747  1.0
  Ag  Ag7  1  0.890  0.250  0.220  1.0
  Ag  Ag8  1  0.123  0.750  0.752  1.0
  S  S9  1  0.899  0.541  0.861  1.0
  S  S10  1  0.780  0.963  0.626  1.0
  S  S11  1  0.594  0.537  0.626  1.0
  S  S12  1  0.240  0.958  0.862  1.0
  S  S13  1  0.107  0.468  0.136  1.0
  S  S14  1  0.757  0.032  0.136  1.0
  S  S15  1  0.441  0.430  0.378  1.0
  S  S16  1  0.180  0.070  0.378  1.0
[/CIF]
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The crystal structure described by K4MgNb2(AgS4)2 crystallizes in the monoclinic C2 space group. There are four inequivalent K sites. In the first K site, K(1) is bonded in a 6-coordinate geometry to two equivalent S(1), two equivalent S(2), and two equivalent S(4) atoms. In the second K site, K(2) is bonded in a 6-coordinate geometry to two equivalent S(2), two equivalent S(3), and two equivalent S(4) atoms. In the third K site, K(3) is bonded in a 8-coordinate geometry to two equivalent S(2), two equivalent S(3), and four equivalent S(1) atoms. In the fourth K site, K(4) is bonded in a 6-coordinate geometry to two equivalent S(1) and four equivalent S(3) atoms. Mg(1) is bonded in a 4-coordinate geometry to two equivalent S(2) and two equivalent S(4) atoms. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a tetrahedral geometry to two equivalent S(3) and two equivalent S(4) atoms. In the second Nb site, Nb(2) is bonded to two equivalent S(1) and two equivalent S(2) atoms to form NbS4 tetrahedra that share edges with two equivalent Ag(2)S4 tetrahedra. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a 4-coordinate geometry to two equivalent S(3) and two equivalent S(4) atoms. In the second Ag site, Ag(2) is bonded to two equivalent S(1) and two equivalent S(2) atoms to form distorted AgS4 tetrahedra that share edges with two equivalent Nb(2)S4 tetrahedra. There are four inequivalent S sites. In the first S site, S(1) is bonded in a 6-coordinate geometry to one K(1), one K(4), two equivalent K(3), one Nb(2), and one Ag(2) atom. In the second S site, S(2) is bonded in a 6-coordinate geometry to one K(1), one K(2), one K(3), one Mg(1), one Nb(2), and one Ag(2) atom. In the third S site, S(3) is bonded in a 6-coordinate geometry to one K(2), one K(3), two equivalent K(4), one Nb(1), and one Ag(1) atom. In the fourth S site, S(4) is bonded in a 5-coordinate geometry to one K(1), one K(2), one Mg(1), one Nb(1), and one Ag(1) atom. is represented by the CIF file [CIF]
data_K4MgNb2(AgS4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.031
_cell_length_b   7.591
_cell_length_c   12.015
_cell_angle_alpha   83.526
_cell_angle_beta   75.474
_cell_angle_gamma   63.309
_symmetry_Int_Tables_number   1
_cell_volume   475.721
_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  0.179  0.250  0.642  1.0
  K  K1  1  0.806  0.750  0.389  1.0
  K  K2  1  0.553  0.250  0.892  1.0
  K  K3  1  0.449  0.749  0.103  1.0
  Mg  Mg4  1  0.751  0.250  0.498  1.0
  Nb  Nb5  1  0.376  0.250  0.248  1.0
  Nb  Nb6  1  0.626  0.750  0.747  1.0
  Ag  Ag7  1  0.890  0.250  0.220  1.0
  Ag  Ag8  1  0.123  0.750  0.752  1.0
  S  S9  1  0.899  0.541  0.861  1.0
  S  S10  1  0.780  0.963  0.626  1.0
  S  S11  1  0.594  0.537  0.626  1.0
  S  S12  1  0.240  0.958  0.862  1.0
  S  S13  1  0.107  0.468  0.136  1.0
  S  S14  1  0.757  0.032  0.136  1.0
  S  S15  1  0.441  0.430  0.378  1.0
  S  S16  1  0.180  0.070  0.378  1.0
[/CIF]
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