The material described by (Hg2P)3In2Cl9 is High (Orthorhombic) Tridymite-derived structured and crystallizes in the monoclinic P2_1 space group. The structure consists of two In2Cl9 clusters inside a Hg2P framework. In each In2Cl9 cluster, there are two inequivalent In sites. In the first In site, In(1) is bonded to one Cl(1), one Cl(3), one Cl(4), one Cl(5), one Cl(8), and one Cl(9) atom to form face-sharing InCl6 octahedra. In the second In site, In(2) is bonded to one Cl(2), one Cl(3), one Cl(4), one Cl(5), one Cl(6), and one Cl(7) atom to form face-sharing InCl6 octahedra. There are nine inequivalent Cl sites. In the first Cl site, Cl(6) is bonded in a single-bond geometry to one In(2) atom. In the second Cl site, Cl(7) is bonded in a single-bond geometry to one In(2) atom. In the third Cl site, Cl(8) is bonded in a single-bond geometry to one In(1) atom. In the fourth Cl site, Cl(9) is bonded in a single-bond geometry to one In(1) atom. In the fifth Cl site, Cl(1) is bonded in a single-bond geometry to one In(1) atom. In the sixth Cl site, Cl(2) is bonded in a single-bond geometry to one In(2) atom. In the seventh Cl site, Cl(3) is bonded in an L-shaped geometry to one In(1) and one In(2) atom. In the eighth Cl site, Cl(4) is bonded in an L-shaped geometry to one In(1) and one In(2) atom. In the ninth Cl site, Cl(5) is bonded in an L-shaped geometry to one In(1) and one In(2) atom. In the Hg2P framework, there are six inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a distorted linear geometry to one P(1) and one P(3) atom. In the second Hg site, Hg(2) is bonded in a linear geometry to one P(2) and one P(3) atom. In the third Hg site, Hg(3) is bonded in a linear geometry to one P(2) and one P(3) atom. In the fourth Hg site, Hg(4) is bonded in a linear geometry to one P(1) and one P(3) atom. In the fifth Hg site, Hg(5) is bonded in a distorted linear geometry to one P(1) and one P(2) atom. In the sixth Hg site, Hg(6) is bonded in a linear geometry to one P(1) and one P(2) atom. There are three inequivalent P sites. In the first P site, P(1) is bonded to one Hg(1), one Hg(4), one Hg(5), and one Hg(6) atom to form corner-sharing PHg4 tetrahedra. In the second P site, P(2) is bonded to one Hg(2), one Hg(3), one Hg(5), and one Hg(6) atom to form corner-sharing PHg4 tetrahedra. In the third P site, P(3) is bonded to one Hg(1), one Hg(2), one Hg(3), and one Hg(4) atom to form corner-sharing PHg4 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_In2Hg6(PCl3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.942
_cell_length_b   10.541
_cell_length_c   11.075
_cell_angle_alpha   63.738
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1145.464
_cell_formula_units_Z   2
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
  In  In0  1  0.875  0.360  0.910  1.0
  In  In1  1  0.375  0.640  0.090  1.0
  In  In2  1  0.745  0.692  0.670  1.0
  In  In3  1  0.245  0.308  0.330  1.0
  Hg  Hg4  1  0.482  0.171  0.008  1.0
  Hg  Hg5  1  0.982  0.829  0.992  1.0
  Hg  Hg6  1  0.560  0.279  0.624  1.0
  Hg  Hg7  1  0.060  0.721  0.376  1.0
  Hg  Hg8  1  0.311  0.512  0.674  1.0
  Hg  Hg9  1  0.811  0.488  0.326  1.0
  Hg  Hg10  1  0.725  0.869  0.224  1.0
  Hg  Hg11  1  0.225  0.131  0.776  1.0
  Hg  Hg12  1  0.640  0.146  0.352  1.0
  Hg  Hg13  1  0.140  0.854  0.648  1.0
  Hg  Hg14  1  0.385  0.880  0.371  1.0
  Hg  Hg15  1  0.885  0.120  0.629  1.0
  P  P16  1  0.557  0.018  0.233  1.0
  P  P17  1  0.057  0.982  0.767  1.0
  P  P18  1  0.722  0.262  0.481  1.0
  P  P19  1  0.222  0.738  0.519  1.0
  P  P20  1  0.399  0.275  0.780  1.0
  P  P21  1  0.899  0.725  0.220  1.0
  Cl  Cl22  1  0.787  0.136  0.915  1.0
  Cl  Cl23  1  0.287  0.864  0.085  1.0
  Cl  Cl24  1  0.872  0.880  0.485  1.0
  Cl  Cl25  1  0.372  0.120  0.515  1.0
  Cl  Cl26  1  0.653  0.468  0.870  1.0
  Cl  Cl27  1  0.153  0.532  0.130  1.0
  Cl  Cl28  1  0.921  0.635  0.848  1.0
  Cl  Cl29  1  0.421  0.365  0.152  1.0
  Cl  Cl30  1  0.873  0.487  0.641  1.0
  Cl  Cl31  1  0.373  0.513  0.359  1.0
  Cl  Cl32  1  0.595  0.654  0.518  1.0
  Cl  Cl33  1  0.095  0.346  0.482  1.0
  Cl  Cl34  1  0.652  0.879  0.713  1.0
  Cl  Cl35  1  0.152  0.121  0.287  1.0
  Cl  Cl36  1  0.854  0.301  0.152  1.0
  Cl  Cl37  1  0.354  0.699  0.848  1.0
  Cl  Cl38  1  0.094  0.309  0.903  1.0
  Cl  Cl39  1  0.594  0.691  0.097  1.0
[/CIF]
.
The material described by (Hg2P)3In2Cl9 is High (Orthorhombic) Tridymite-derived structured and crystallizes in the monoclinic P2_1 space group. The structure consists of two In2Cl9 clusters inside a Hg2P framework. In each In2Cl9 cluster, there are two inequivalent In sites. In the first In site, In(1) is bonded to one Cl(1), one Cl(3), one Cl(4), one Cl(5), one Cl(8), and one Cl(9) atom to form face-sharing InCl6 octahedra. In the second In site, In(2) is bonded to one Cl(2), one Cl(3), one Cl(4), one Cl(5), one Cl(6), and one Cl(7) atom to form face-sharing InCl6 octahedra. There are nine inequivalent Cl sites. In the first Cl site, Cl(6) is bonded in a single-bond geometry to one In(2) atom. In the second Cl site, Cl(7) is bonded in a single-bond geometry to one In(2) atom. In the third Cl site, Cl(8) is bonded in a single-bond geometry to one In(1) atom. In the fourth Cl site, Cl(9) is bonded in a single-bond geometry to one In(1) atom. In the fifth Cl site, Cl(1) is bonded in a single-bond geometry to one In(1) atom. In the sixth Cl site, Cl(2) is bonded in a single-bond geometry to one In(2) atom. In the seventh Cl site, Cl(3) is bonded in an L-shaped geometry to one In(1) and one In(2) atom. In the eighth Cl site, Cl(4) is bonded in an L-shaped geometry to one In(1) and one In(2) atom. In the ninth Cl site, Cl(5) is bonded in an L-shaped geometry to one In(1) and one In(2) atom. In the Hg2P framework, there are six inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a distorted linear geometry to one P(1) and one P(3) atom. In the second Hg site, Hg(2) is bonded in a linear geometry to one P(2) and one P(3) atom. In the third Hg site, Hg(3) is bonded in a linear geometry to one P(2) and one P(3) atom. In the fourth Hg site, Hg(4) is bonded in a linear geometry to one P(1) and one P(3) atom. In the fifth Hg site, Hg(5) is bonded in a distorted linear geometry to one P(1) and one P(2) atom. In the sixth Hg site, Hg(6) is bonded in a linear geometry to one P(1) and one P(2) atom. There are three inequivalent P sites. In the first P site, P(1) is bonded to one Hg(1), one Hg(4), one Hg(5), and one Hg(6) atom to form corner-sharing PHg4 tetrahedra. In the second P site, P(2) is bonded to one Hg(2), one Hg(3), one Hg(5), and one Hg(6) atom to form corner-sharing PHg4 tetrahedra. In the third P site, P(3) is bonded to one Hg(1), one Hg(2), one Hg(3), and one Hg(4) atom to form corner-sharing PHg4 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_In2Hg6(PCl3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.942
_cell_length_b   10.541
_cell_length_c   11.075
_cell_angle_alpha   63.738
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1145.464
_cell_formula_units_Z   2
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
  In  In0  1  0.875  0.360  0.910  1.0
  In  In1  1  0.375  0.640  0.090  1.0
  In  In2  1  0.745  0.692  0.670  1.0
  In  In3  1  0.245  0.308  0.330  1.0
  Hg  Hg4  1  0.482  0.171  0.008  1.0
  Hg  Hg5  1  0.982  0.829  0.992  1.0
  Hg  Hg6  1  0.560  0.279  0.624  1.0
  Hg  Hg7  1  0.060  0.721  0.376  1.0
  Hg  Hg8  1  0.311  0.512  0.674  1.0
  Hg  Hg9  1  0.811  0.488  0.326  1.0
  Hg  Hg10  1  0.725  0.869  0.224  1.0
  Hg  Hg11  1  0.225  0.131  0.776  1.0
  Hg  Hg12  1  0.640  0.146  0.352  1.0
  Hg  Hg13  1  0.140  0.854  0.648  1.0
  Hg  Hg14  1  0.385  0.880  0.371  1.0
  Hg  Hg15  1  0.885  0.120  0.629  1.0
  P  P16  1  0.557  0.018  0.233  1.0
  P  P17  1  0.057  0.982  0.767  1.0
  P  P18  1  0.722  0.262  0.481  1.0
  P  P19  1  0.222  0.738  0.519  1.0
  P  P20  1  0.399  0.275  0.780  1.0
  P  P21  1  0.899  0.725  0.220  1.0
  Cl  Cl22  1  0.787  0.136  0.915  1.0
  Cl  Cl23  1  0.287  0.864  0.085  1.0
  Cl  Cl24  1  0.872  0.880  0.485  1.0
  Cl  Cl25  1  0.372  0.120  0.515  1.0
  Cl  Cl26  1  0.653  0.468  0.870  1.0
  Cl  Cl27  1  0.153  0.532  0.130  1.0
  Cl  Cl28  1  0.921  0.635  0.848  1.0
  Cl  Cl29  1  0.421  0.365  0.152  1.0
  Cl  Cl30  1  0.873  0.487  0.641  1.0
  Cl  Cl31  1  0.373  0.513  0.359  1.0
  Cl  Cl32  1  0.595  0.654  0.518  1.0
  Cl  Cl33  1  0.095  0.346  0.482  1.0
  Cl  Cl34  1  0.652  0.879  0.713  1.0
  Cl  Cl35  1  0.152  0.121  0.287  1.0
  Cl  Cl36  1  0.854  0.301  0.152  1.0
  Cl  Cl37  1  0.354  0.699  0.848  1.0
  Cl  Cl38  1  0.094  0.309  0.903  1.0
  Cl  Cl39  1  0.594  0.691  0.097  1.0
[/CIF]
.