The compound described by Ba2Hg3(PdO2)7 crystallizes in the monoclinic C2/m space group. Ba(1) is bonded in a 11-coordinate geometry to one O(2), two equivalent O(1), two equivalent O(4), two equivalent O(5), and four equivalent O(3) atoms. There are four inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. In the second Pd site, Pd(2) is bonded in an octahedral geometry to one O(2), one O(5), two equivalent O(1), and two equivalent O(3) atoms. In the third Pd site, Pd(3) is bonded in a distorted square co-planar geometry to two equivalent O(1) and two equivalent O(2) atoms. In the fourth Pd site, Pd(4) is bonded in a square co-planar geometry to two equivalent O(3) and two equivalent O(4) atoms. There are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a 3-coordinate geometry to one O(5) and two equivalent O(3) atoms. In the second Hg site, Hg(2) is bonded in a linear geometry to two equivalent O(5) atoms. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Ba(1), one Pd(1), one Pd(2), and one Pd(3) atom to form distorted OBaPd3 trigonal pyramids that share corners with two equivalent O(4)Ba2Pd2 tetrahedra, corners with two equivalent O(2)BaPd3 trigonal pyramids, corners with four equivalent O(1)BaPd3 trigonal pyramids,  an edgeedge with one O(1)BaPd3 trigonal pyramid, and  an edgeedge with one O(2)BaPd3 trigonal pyramid. In the second O site, O(2) is bonded to one Ba(1), one Pd(2), and two equivalent Pd(3) atoms to form distorted OBaPd3 trigonal pyramids that share corners with two equivalent O(4)Ba2Pd2 tetrahedra, corners with two equivalent O(2)BaPd3 trigonal pyramids, corners with four equivalent O(1)BaPd3 trigonal pyramids, and edges with two equivalent O(1)BaPd3 trigonal pyramids. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent Ba(1), one Pd(2), one Pd(4), and one Hg(1) atom. In the fourth O site, O(4) is bonded to two equivalent Ba(1) and two equivalent Pd(4) atoms to form OBa2Pd2 tetrahedra that share corners with two equivalent O(4)Ba2Pd2 tetrahedra, corners with two equivalent O(2)BaPd3 trigonal pyramids, corners with four equivalent O(1)BaPd3 trigonal pyramids, and  an edgeedge with one O(4)Ba2Pd2 tetrahedra. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to two equivalent Ba(1), one Pd(2), one Hg(1), and one Hg(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba2Hg3(PdO2)7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.277
_cell_length_b   6.277
_cell_length_c   11.117
_cell_angle_alpha   89.661
_cell_angle_beta   89.661
_cell_angle_gamma   60.904
_symmetry_Int_Tables_number   1
_cell_volume   382.758
_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
  Ba  Ba0  1  0.503  0.503  0.705  1.0
  Ba  Ba1  1  0.497  0.497  0.295  1.0
  Hg  Hg2  1  0.825  0.825  0.195  1.0
  Hg  Hg3  1  0.175  0.175  0.805  1.0
  Hg  Hg4  1  0.000  0.000  0.500  1.0
  Pd  Pd5  1  0.000  0.000  0.000  1.0
  Pd  Pd6  1  0.833  0.833  0.778  1.0
  Pd  Pd7  1  0.167  0.167  0.222  1.0
  Pd  Pd8  1  0.000  0.500  0.000  1.0
  Pd  Pd9  1  0.500  0.000  0.500  1.0
  Pd  Pd10  1  0.000  0.500  0.500  1.0
  Pd  Pd11  1  0.500  0.000  0.000  1.0
  O  O12  1  0.691  0.123  0.898  1.0
  O  O13  1  0.689  0.689  0.899  1.0
  O  O14  1  0.480  0.008  0.316  1.0
  O  O15  1  0.364  0.364  0.503  1.0
  O  O16  1  0.992  0.520  0.684  1.0
  O  O17  1  0.006  0.006  0.313  1.0
  O  O18  1  0.520  0.992  0.684  1.0
  O  O19  1  0.123  0.691  0.898  1.0
  O  O20  1  0.309  0.877  0.102  1.0
  O  O21  1  0.636  0.636  0.497  1.0
  O  O22  1  0.311  0.311  0.101  1.0
  O  O23  1  0.008  0.480  0.316  1.0
  O  O24  1  0.994  0.994  0.687  1.0
  O  O25  1  0.877  0.309  0.102  1.0
[/CIF]
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The compound described by Ba2Hg3(PdO2)7 crystallizes in the monoclinic C2/m space group. Ba(1) is bonded in a 11-coordinate geometry to one O(2), two equivalent O(1), two equivalent O(4), two equivalent O(5), and four equivalent O(3) atoms. There are four inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. In the second Pd site, Pd(2) is bonded in an octahedral geometry to one O(2), one O(5), two equivalent O(1), and two equivalent O(3) atoms. In the third Pd site, Pd(3) is bonded in a distorted square co-planar geometry to two equivalent O(1) and two equivalent O(2) atoms. In the fourth Pd site, Pd(4) is bonded in a square co-planar geometry to two equivalent O(3) and two equivalent O(4) atoms. There are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a 3-coordinate geometry to one O(5) and two equivalent O(3) atoms. In the second Hg site, Hg(2) is bonded in a linear geometry to two equivalent O(5) atoms. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Ba(1), one Pd(1), one Pd(2), and one Pd(3) atom to form distorted OBaPd3 trigonal pyramids that share corners with two equivalent O(4)Ba2Pd2 tetrahedra, corners with two equivalent O(2)BaPd3 trigonal pyramids, corners with four equivalent O(1)BaPd3 trigonal pyramids,  an edgeedge with one O(1)BaPd3 trigonal pyramid, and  an edgeedge with one O(2)BaPd3 trigonal pyramid. In the second O site, O(2) is bonded to one Ba(1), one Pd(2), and two equivalent Pd(3) atoms to form distorted OBaPd3 trigonal pyramids that share corners with two equivalent O(4)Ba2Pd2 tetrahedra, corners with two equivalent O(2)BaPd3 trigonal pyramids, corners with four equivalent O(1)BaPd3 trigonal pyramids, and edges with two equivalent O(1)BaPd3 trigonal pyramids. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent Ba(1), one Pd(2), one Pd(4), and one Hg(1) atom. In the fourth O site, O(4) is bonded to two equivalent Ba(1) and two equivalent Pd(4) atoms to form OBa2Pd2 tetrahedra that share corners with two equivalent O(4)Ba2Pd2 tetrahedra, corners with two equivalent O(2)BaPd3 trigonal pyramids, corners with four equivalent O(1)BaPd3 trigonal pyramids, and  an edgeedge with one O(4)Ba2Pd2 tetrahedra. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to two equivalent Ba(1), one Pd(2), one Hg(1), and one Hg(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba2Hg3(PdO2)7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.277
_cell_length_b   6.277
_cell_length_c   11.117
_cell_angle_alpha   89.661
_cell_angle_beta   89.661
_cell_angle_gamma   60.904
_symmetry_Int_Tables_number   1
_cell_volume   382.758
_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
  Ba  Ba0  1  0.503  0.503  0.705  1.0
  Ba  Ba1  1  0.497  0.497  0.295  1.0
  Hg  Hg2  1  0.825  0.825  0.195  1.0
  Hg  Hg3  1  0.175  0.175  0.805  1.0
  Hg  Hg4  1  0.000  0.000  0.500  1.0
  Pd  Pd5  1  0.000  0.000  0.000  1.0
  Pd  Pd6  1  0.833  0.833  0.778  1.0
  Pd  Pd7  1  0.167  0.167  0.222  1.0
  Pd  Pd8  1  0.000  0.500  0.000  1.0
  Pd  Pd9  1  0.500  0.000  0.500  1.0
  Pd  Pd10  1  0.000  0.500  0.500  1.0
  Pd  Pd11  1  0.500  0.000  0.000  1.0
  O  O12  1  0.691  0.123  0.898  1.0
  O  O13  1  0.689  0.689  0.899  1.0
  O  O14  1  0.480  0.008  0.316  1.0
  O  O15  1  0.364  0.364  0.503  1.0
  O  O16  1  0.992  0.520  0.684  1.0
  O  O17  1  0.006  0.006  0.313  1.0
  O  O18  1  0.520  0.992  0.684  1.0
  O  O19  1  0.123  0.691  0.898  1.0
  O  O20  1  0.309  0.877  0.102  1.0
  O  O21  1  0.636  0.636  0.497  1.0
  O  O22  1  0.311  0.311  0.101  1.0
  O  O23  1  0.008  0.480  0.316  1.0
  O  O24  1  0.994  0.994  0.687  1.0
  O  O25  1  0.877  0.309  0.102  1.0
[/CIF]
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