The material described by Ag2Hg7(P4Br3)2 crystallizes in the monoclinic C2/m space group. Ag(1) is bonded to two equivalent P(1), two equivalent Br(1), and two equivalent Br(2) atoms to form AgP2Br4 octahedra that share corners with two equivalent Ag(1)P2Br4 octahedra, corners with two equivalent Hg(3)P2Br4 octahedra, corners with two equivalent P(2)Hg2P2 tetrahedra, and corners with two equivalent P(1)AgHgP2 trigonal pyramids. The corner-sharing octahedral tilt angles are 52°. There are three inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a distorted T-shaped geometry to one P(1), one P(3), and one Br(1) atom. In the second Hg site, Hg(2) is bonded in a T-shaped geometry to one P(2), one P(3), and one Br(2) atom. In the third Hg site, Hg(3) is bonded to two equivalent P(2) and four equivalent Br(1) atoms to form HgP2Br4 octahedra that share corners with four equivalent Ag(1)P2Br4 octahedra and corners with four equivalent P(1)AgHgP2 trigonal pyramids. The corner-sharing octahedral tilt angles are 52°. 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 trigonal pyramids that share  a cornercorner with one Ag(1)P2Br4 octahedra,  a cornercorner with one Hg(3)P2Br4 octahedra,  a cornercorner with one P(2)Hg2P2 tetrahedra,  a cornercorner with one P(3)Hg3P tetrahedra, and corners with two equivalent P(1)AgHgP2 trigonal pyramids. The corner-sharing octahedral tilt angles range from 52-57°. In the second P site, P(2) is bonded to one Hg(2), one Hg(3), and two equivalent P(1) atoms to form distorted PHg2P2 tetrahedra that share corners with two equivalent Ag(1)P2Br4 octahedra,  a cornercorner with one P(2)Hg2P2 tetrahedra,  a cornercorner with one P(3)Hg3P tetrahedra, and corners with two equivalent P(1)AgHgP2 trigonal pyramids. The corner-sharing octahedral tilt angles are 58°. In the third P site, P(3) is bonded to one Hg(2), two equivalent Hg(1), and one P(3) atom to form PHg3P tetrahedra that share  a cornercorner with one P(2)Hg2P2 tetrahedra and corners with two equivalent P(1)AgHgP2 trigonal pyramids. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded in a 3-coordinate geometry to one Ag(1), one Hg(1), and one Hg(3) atom. In the second Br site, Br(2) is bonded in a distorted T-shaped geometry to two equivalent Ag(1) and one Hg(2) atom. is represented by the CIF card [CIF]
data_Ag2Hg7(P4Br3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.596
_cell_length_b   8.596
_cell_length_c   8.277
_cell_angle_alpha   81.269
_cell_angle_beta   81.269
_cell_angle_gamma   80.524
_symmetry_Int_Tables_number   1
_cell_volume   591.219
_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  0.500  0.000  0.500  1.0
  Ag  Ag1  1  0.000  0.500  0.500  1.0
  Hg  Hg2  1  0.367  0.733  0.235  1.0
  Hg  Hg3  1  0.274  0.274  0.133  1.0
  Hg  Hg4  1  0.733  0.367  0.235  1.0
  Hg  Hg5  1  0.633  0.267  0.765  1.0
  Hg  Hg6  1  0.000  0.000  0.000  1.0
  Hg  Hg7  1  0.726  0.726  0.867  1.0
  Hg  Hg8  1  0.267  0.633  0.765  1.0
  P  P9  1  0.076  0.763  0.575  1.0
  P  P10  1  0.913  0.913  0.744  1.0
  P  P11  1  0.563  0.563  0.068  1.0
  P  P12  1  0.924  0.237  0.425  1.0
  P  P13  1  0.087  0.087  0.256  1.0
  P  P14  1  0.763  0.076  0.575  1.0
  P  P15  1  0.237  0.924  0.425  1.0
  P  P16  1  0.437  0.437  0.932  1.0
  Br  Br17  1  0.050  0.638  0.147  1.0
  Br  Br18  1  0.355  0.355  0.457  1.0
  Br  Br19  1  0.645  0.645  0.543  1.0
  Br  Br20  1  0.638  0.050  0.147  1.0
  Br  Br21  1  0.362  0.950  0.853  1.0
  Br  Br22  1  0.950  0.362  0.853  1.0
[/CIF]
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The material described by Ag2Hg7(P4Br3)2 crystallizes in the monoclinic C2/m space group. Ag(1) is bonded to two equivalent P(1), two equivalent Br(1), and two equivalent Br(2) atoms to form AgP2Br4 octahedra that share corners with two equivalent Ag(1)P2Br4 octahedra, corners with two equivalent Hg(3)P2Br4 octahedra, corners with two equivalent P(2)Hg2P2 tetrahedra, and corners with two equivalent P(1)AgHgP2 trigonal pyramids. The corner-sharing octahedral tilt angles are 52°. There are three inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a distorted T-shaped geometry to one P(1), one P(3), and one Br(1) atom. In the second Hg site, Hg(2) is bonded in a T-shaped geometry to one P(2), one P(3), and one Br(2) atom. In the third Hg site, Hg(3) is bonded to two equivalent P(2) and four equivalent Br(1) atoms to form HgP2Br4 octahedra that share corners with four equivalent Ag(1)P2Br4 octahedra and corners with four equivalent P(1)AgHgP2 trigonal pyramids. The corner-sharing octahedral tilt angles are 52°. 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 trigonal pyramids that share  a cornercorner with one Ag(1)P2Br4 octahedra,  a cornercorner with one Hg(3)P2Br4 octahedra,  a cornercorner with one P(2)Hg2P2 tetrahedra,  a cornercorner with one P(3)Hg3P tetrahedra, and corners with two equivalent P(1)AgHgP2 trigonal pyramids. The corner-sharing octahedral tilt angles range from 52-57°. In the second P site, P(2) is bonded to one Hg(2), one Hg(3), and two equivalent P(1) atoms to form distorted PHg2P2 tetrahedra that share corners with two equivalent Ag(1)P2Br4 octahedra,  a cornercorner with one P(2)Hg2P2 tetrahedra,  a cornercorner with one P(3)Hg3P tetrahedra, and corners with two equivalent P(1)AgHgP2 trigonal pyramids. The corner-sharing octahedral tilt angles are 58°. In the third P site, P(3) is bonded to one Hg(2), two equivalent Hg(1), and one P(3) atom to form PHg3P tetrahedra that share  a cornercorner with one P(2)Hg2P2 tetrahedra and corners with two equivalent P(1)AgHgP2 trigonal pyramids. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded in a 3-coordinate geometry to one Ag(1), one Hg(1), and one Hg(3) atom. In the second Br site, Br(2) is bonded in a distorted T-shaped geometry to two equivalent Ag(1) and one Hg(2) atom. is represented by the CIF card [CIF]
data_Ag2Hg7(P4Br3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.596
_cell_length_b   8.596
_cell_length_c   8.277
_cell_angle_alpha   81.269
_cell_angle_beta   81.269
_cell_angle_gamma   80.524
_symmetry_Int_Tables_number   1
_cell_volume   591.219
_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  0.500  0.000  0.500  1.0
  Ag  Ag1  1  0.000  0.500  0.500  1.0
  Hg  Hg2  1  0.367  0.733  0.235  1.0
  Hg  Hg3  1  0.274  0.274  0.133  1.0
  Hg  Hg4  1  0.733  0.367  0.235  1.0
  Hg  Hg5  1  0.633  0.267  0.765  1.0
  Hg  Hg6  1  0.000  0.000  0.000  1.0
  Hg  Hg7  1  0.726  0.726  0.867  1.0
  Hg  Hg8  1  0.267  0.633  0.765  1.0
  P  P9  1  0.076  0.763  0.575  1.0
  P  P10  1  0.913  0.913  0.744  1.0
  P  P11  1  0.563  0.563  0.068  1.0
  P  P12  1  0.924  0.237  0.425  1.0
  P  P13  1  0.087  0.087  0.256  1.0
  P  P14  1  0.763  0.076  0.575  1.0
  P  P15  1  0.237  0.924  0.425  1.0
  P  P16  1  0.437  0.437  0.932  1.0
  Br  Br17  1  0.050  0.638  0.147  1.0
  Br  Br18  1  0.355  0.355  0.457  1.0
  Br  Br19  1  0.645  0.645  0.543  1.0
  Br  Br20  1  0.638  0.050  0.147  1.0
  Br  Br21  1  0.362  0.950  0.853  1.0
  Br  Br22  1  0.950  0.362  0.853  1.0
[/CIF]
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