The material structure described by Ag5Hg4P8Cl5 crystallizes in the monoclinic C2/m space group. There are three inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent P(1) and two equivalent Cl(1) atoms. In the second Ag site, Ag(2) is bonded in a rectangular see-saw-like geometry to one P(2), one P(3), and two equivalent Cl(1) atoms. In the third Ag site, Ag(3) is bonded in a distorted square co-planar geometry to two equivalent Cl(2) and four equivalent Cl(1) atoms. Hg(1) is bonded in a T-shaped geometry to one P(1), one P(3), and one Cl(2) atom. There are three inequivalent P sites. In the first P site, P(1) is bonded to one Ag(1), one Hg(1), one P(1), and one P(2) atom to form PAgHgP2 tetrahedra that share  a cornercorner with one Cl(2)Ag2Hg4 octahedra,  a cornercorner with one P(2)AgP3 tetrahedra, corners with two equivalent P(3)AgHg2P tetrahedra, and corners with two equivalent P(1)AgHgP2 tetrahedra. The corner-sharing octahedral tilt angles are 84°. In the second P site, P(2) is bonded to one Ag(2), one P(3), and two equivalent P(1) atoms to form distorted PAgP3 tetrahedra that share  a cornercorner with one P(3)AgHg2P tetrahedra and corners with two equivalent P(1)AgHgP2 tetrahedra. In the third P site, P(3) is bonded to one Ag(2), two equivalent Hg(1), and one P(2) atom to form PAgHg2P tetrahedra that share  a cornercorner with one P(2)AgP3 tetrahedra, corners with four equivalent P(1)AgHgP2 tetrahedra, and  an edgeedge with one Cl(2)Ag2Hg4 octahedra. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a T-shaped geometry to one Ag(1), one Ag(2), and one Ag(3) atom. In the second Cl site, Cl(2) is bonded to two equivalent Ag(3) and four equivalent Hg(1) atoms to form distorted ClAg2Hg4 octahedra that share corners with two equivalent Cl(2)Ag2Hg4 octahedra, corners with four equivalent P(1)AgHgP2 tetrahedra, and edges with two equivalent P(3)AgHg2P tetrahedra. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_Ag5Hg4P8Cl5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.205
_cell_length_b   9.205
_cell_length_c   6.361
_cell_angle_alpha   79.228
_cell_angle_beta   79.228
_cell_angle_gamma   74.556
_symmetry_Int_Tables_number   1
_cell_volume   505.025
_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
  Ag  Ag0  1  0.147  0.853  0.000  1.0
  Ag  Ag1  1  0.796  0.796  0.945  1.0
  Ag  Ag2  1  0.204  0.204  0.055  1.0
  Ag  Ag3  1  0.853  0.147  0.000  1.0
  Ag  Ag4  1  0.500  0.500  0.000  1.0
  Hg  Hg5  1  0.482  0.825  0.467  1.0
  Hg  Hg6  1  0.518  0.175  0.533  1.0
  Hg  Hg7  1  0.825  0.482  0.467  1.0
  Hg  Hg8  1  0.175  0.518  0.533  1.0
  P  P9  1  0.098  0.796  0.400  1.0
  P  P10  1  0.204  0.902  0.600  1.0
  P  P11  1  0.858  0.858  0.554  1.0
  P  P12  1  0.796  0.098  0.400  1.0
  P  P13  1  0.760  0.760  0.341  1.0
  P  P14  1  0.142  0.142  0.446  1.0
  P  P15  1  0.902  0.204  0.600  1.0
  P  P16  1  0.240  0.240  0.659  1.0
  Cl  Cl17  1  0.196  0.526  0.023  1.0
  Cl  Cl18  1  0.804  0.474  0.977  1.0
  Cl  Cl19  1  0.474  0.804  0.977  1.0
  Cl  Cl20  1  0.526  0.196  0.023  1.0
  Cl  Cl21  1  0.500  0.500  0.500  1.0
[/CIF]
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The material structure described by Ag5Hg4P8Cl5 crystallizes in the monoclinic C2/m space group. There are three inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent P(1) and two equivalent Cl(1) atoms. In the second Ag site, Ag(2) is bonded in a rectangular see-saw-like geometry to one P(2), one P(3), and two equivalent Cl(1) atoms. In the third Ag site, Ag(3) is bonded in a distorted square co-planar geometry to two equivalent Cl(2) and four equivalent Cl(1) atoms. Hg(1) is bonded in a T-shaped geometry to one P(1), one P(3), and one Cl(2) atom. There are three inequivalent P sites. In the first P site, P(1) is bonded to one Ag(1), one Hg(1), one P(1), and one P(2) atom to form PAgHgP2 tetrahedra that share  a cornercorner with one Cl(2)Ag2Hg4 octahedra,  a cornercorner with one P(2)AgP3 tetrahedra, corners with two equivalent P(3)AgHg2P tetrahedra, and corners with two equivalent P(1)AgHgP2 tetrahedra. The corner-sharing octahedral tilt angles are 84°. In the second P site, P(2) is bonded to one Ag(2), one P(3), and two equivalent P(1) atoms to form distorted PAgP3 tetrahedra that share  a cornercorner with one P(3)AgHg2P tetrahedra and corners with two equivalent P(1)AgHgP2 tetrahedra. In the third P site, P(3) is bonded to one Ag(2), two equivalent Hg(1), and one P(2) atom to form PAgHg2P tetrahedra that share  a cornercorner with one P(2)AgP3 tetrahedra, corners with four equivalent P(1)AgHgP2 tetrahedra, and  an edgeedge with one Cl(2)Ag2Hg4 octahedra. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a T-shaped geometry to one Ag(1), one Ag(2), and one Ag(3) atom. In the second Cl site, Cl(2) is bonded to two equivalent Ag(3) and four equivalent Hg(1) atoms to form distorted ClAg2Hg4 octahedra that share corners with two equivalent Cl(2)Ag2Hg4 octahedra, corners with four equivalent P(1)AgHgP2 tetrahedra, and edges with two equivalent P(3)AgHg2P tetrahedra. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_Ag5Hg4P8Cl5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.205
_cell_length_b   9.205
_cell_length_c   6.361
_cell_angle_alpha   79.228
_cell_angle_beta   79.228
_cell_angle_gamma   74.556
_symmetry_Int_Tables_number   1
_cell_volume   505.025
_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
  Ag  Ag0  1  0.147  0.853  0.000  1.0
  Ag  Ag1  1  0.796  0.796  0.945  1.0
  Ag  Ag2  1  0.204  0.204  0.055  1.0
  Ag  Ag3  1  0.853  0.147  0.000  1.0
  Ag  Ag4  1  0.500  0.500  0.000  1.0
  Hg  Hg5  1  0.482  0.825  0.467  1.0
  Hg  Hg6  1  0.518  0.175  0.533  1.0
  Hg  Hg7  1  0.825  0.482  0.467  1.0
  Hg  Hg8  1  0.175  0.518  0.533  1.0
  P  P9  1  0.098  0.796  0.400  1.0
  P  P10  1  0.204  0.902  0.600  1.0
  P  P11  1  0.858  0.858  0.554  1.0
  P  P12  1  0.796  0.098  0.400  1.0
  P  P13  1  0.760  0.760  0.341  1.0
  P  P14  1  0.142  0.142  0.446  1.0
  P  P15  1  0.902  0.204  0.600  1.0
  P  P16  1  0.240  0.240  0.659  1.0
  Cl  Cl17  1  0.196  0.526  0.023  1.0
  Cl  Cl18  1  0.804  0.474  0.977  1.0
  Cl  Cl19  1  0.474  0.804  0.977  1.0
  Cl  Cl20  1  0.526  0.196  0.023  1.0
  Cl  Cl21  1  0.500  0.500  0.500  1.0
[/CIF]
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