The compound described by Ba3Sr(HgO2)4 crystallizes in the trigonal P321 space group. There are five inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(2) atoms. In the second Ba site, Ba(2) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(2) atoms. In the third Ba site, Ba(3) is bonded in a 6-coordinate geometry to six equivalent O(3) atoms. In the fourth Ba site, Ba(4) is bonded in a 6-coordinate geometry to six equivalent O(4) atoms. In the fifth Ba site, Ba(5) is bonded in a 6-coordinate geometry to six equivalent O(3) atoms. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 6-coordinate geometry to six equivalent O(4) atoms. In the second Sr site, Sr(2) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(2) atoms. There are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a linear geometry to one O(1) and one O(3) atom. In the second Hg site, Hg(2) is bonded in a linear geometry to one O(2) and one O(4) atom. There are four inequivalent O sites. In the first O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Ba(5), two equivalent Ba(3), and one Hg(1) atom. In the second O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Ba(4), one Sr(1), and one Hg(2) atom. In the third O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Ba(1), one Ba(2), one Sr(2), and one Hg(1) atom. In the fourth O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Ba(1), one Ba(2), one Sr(2), and one Hg(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba3Sr(HgO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.854
_cell_length_b   6.854
_cell_length_c   25.398
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   1033.366
_cell_formula_units_Z   3
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  0.333  0.667  0.233  1.0
  Ba  Ba1  1  0.333  0.667  0.733  1.0
  Ba  Ba2  1  0.667  0.333  0.767  1.0
  Ba  Ba3  1  0.667  0.333  0.267  1.0
  Ba  Ba4  1  0.667  0.333  0.983  1.0
  Ba  Ba5  1  0.667  0.333  0.483  1.0
  Ba  Ba6  1  0.333  0.667  0.017  1.0
  Ba  Ba7  1  0.333  0.667  0.517  1.0
  Ba  Ba8  1  0.000  0.000  0.000  1.0
  Sr  Sr9  1  0.000  0.000  0.500  1.0
  Sr  Sr10  1  0.000  0.000  0.250  1.0
  Sr  Sr11  1  0.000  0.000  0.750  1.0
  Hg  Hg12  1  0.170  0.827  0.874  1.0
  Hg  Hg13  1  0.170  0.830  0.375  1.0
  Hg  Hg14  1  0.173  0.343  0.874  1.0
  Hg  Hg15  1  0.170  0.340  0.375  1.0
  Hg  Hg16  1  0.657  0.830  0.874  1.0
  Hg  Hg17  1  0.660  0.830  0.375  1.0
  Hg  Hg18  1  0.827  0.170  0.126  1.0
  Hg  Hg19  1  0.830  0.170  0.625  1.0
  Hg  Hg20  1  0.343  0.173  0.126  1.0
  Hg  Hg21  1  0.340  0.170  0.625  1.0
  Hg  Hg22  1  0.830  0.657  0.126  1.0
  Hg  Hg23  1  0.830  0.660  0.625  1.0
  O  O24  1  0.666  0.703  0.803  1.0
  O  O25  1  0.665  0.703  0.304  1.0
  O  O26  1  0.297  0.963  0.803  1.0
  O  O27  1  0.297  0.962  0.304  1.0
  O  O28  1  0.037  0.334  0.803  1.0
  O  O29  1  0.038  0.335  0.304  1.0
  O  O30  1  0.703  0.666  0.197  1.0
  O  O31  1  0.703  0.665  0.696  1.0
  O  O32  1  0.963  0.297  0.197  1.0
  O  O33  1  0.962  0.297  0.696  1.0
  O  O34  1  0.334  0.037  0.197  1.0
  O  O35  1  0.335  0.038  0.696  1.0
  O  O36  1  0.350  0.313  0.055  1.0
  O  O37  1  0.335  0.296  0.553  1.0
  O  O38  1  0.687  0.037  0.055  1.0
  O  O39  1  0.704  0.038  0.553  1.0
  O  O40  1  0.963  0.650  0.055  1.0
  O  O41  1  0.962  0.665  0.553  1.0
  O  O42  1  0.313  0.350  0.945  1.0
  O  O43  1  0.296  0.335  0.447  1.0
  O  O44  1  0.037  0.687  0.945  1.0
  O  O45  1  0.038  0.704  0.447  1.0
  O  O46  1  0.650  0.963  0.945  1.0
  O  O47  1  0.665  0.962  0.447  1.0
[/CIF]
.
The compound described by Ba3Sr(HgO2)4 crystallizes in the trigonal P321 space group. There are five inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(2) atoms. In the second Ba site, Ba(2) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(2) atoms. In the third Ba site, Ba(3) is bonded in a 6-coordinate geometry to six equivalent O(3) atoms. In the fourth Ba site, Ba(4) is bonded in a 6-coordinate geometry to six equivalent O(4) atoms. In the fifth Ba site, Ba(5) is bonded in a 6-coordinate geometry to six equivalent O(3) atoms. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 6-coordinate geometry to six equivalent O(4) atoms. In the second Sr site, Sr(2) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(2) atoms. There are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a linear geometry to one O(1) and one O(3) atom. In the second Hg site, Hg(2) is bonded in a linear geometry to one O(2) and one O(4) atom. There are four inequivalent O sites. In the first O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Ba(5), two equivalent Ba(3), and one Hg(1) atom. In the second O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Ba(4), one Sr(1), and one Hg(2) atom. In the third O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Ba(1), one Ba(2), one Sr(2), and one Hg(1) atom. In the fourth O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Ba(1), one Ba(2), one Sr(2), and one Hg(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba3Sr(HgO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.854
_cell_length_b   6.854
_cell_length_c   25.398
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   1033.366
_cell_formula_units_Z   3
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  0.333  0.667  0.233  1.0
  Ba  Ba1  1  0.333  0.667  0.733  1.0
  Ba  Ba2  1  0.667  0.333  0.767  1.0
  Ba  Ba3  1  0.667  0.333  0.267  1.0
  Ba  Ba4  1  0.667  0.333  0.983  1.0
  Ba  Ba5  1  0.667  0.333  0.483  1.0
  Ba  Ba6  1  0.333  0.667  0.017  1.0
  Ba  Ba7  1  0.333  0.667  0.517  1.0
  Ba  Ba8  1  0.000  0.000  0.000  1.0
  Sr  Sr9  1  0.000  0.000  0.500  1.0
  Sr  Sr10  1  0.000  0.000  0.250  1.0
  Sr  Sr11  1  0.000  0.000  0.750  1.0
  Hg  Hg12  1  0.170  0.827  0.874  1.0
  Hg  Hg13  1  0.170  0.830  0.375  1.0
  Hg  Hg14  1  0.173  0.343  0.874  1.0
  Hg  Hg15  1  0.170  0.340  0.375  1.0
  Hg  Hg16  1  0.657  0.830  0.874  1.0
  Hg  Hg17  1  0.660  0.830  0.375  1.0
  Hg  Hg18  1  0.827  0.170  0.126  1.0
  Hg  Hg19  1  0.830  0.170  0.625  1.0
  Hg  Hg20  1  0.343  0.173  0.126  1.0
  Hg  Hg21  1  0.340  0.170  0.625  1.0
  Hg  Hg22  1  0.830  0.657  0.126  1.0
  Hg  Hg23  1  0.830  0.660  0.625  1.0
  O  O24  1  0.666  0.703  0.803  1.0
  O  O25  1  0.665  0.703  0.304  1.0
  O  O26  1  0.297  0.963  0.803  1.0
  O  O27  1  0.297  0.962  0.304  1.0
  O  O28  1  0.037  0.334  0.803  1.0
  O  O29  1  0.038  0.335  0.304  1.0
  O  O30  1  0.703  0.666  0.197  1.0
  O  O31  1  0.703  0.665  0.696  1.0
  O  O32  1  0.963  0.297  0.197  1.0
  O  O33  1  0.962  0.297  0.696  1.0
  O  O34  1  0.334  0.037  0.197  1.0
  O  O35  1  0.335  0.038  0.696  1.0
  O  O36  1  0.350  0.313  0.055  1.0
  O  O37  1  0.335  0.296  0.553  1.0
  O  O38  1  0.687  0.037  0.055  1.0
  O  O39  1  0.704  0.038  0.553  1.0
  O  O40  1  0.963  0.650  0.055  1.0
  O  O41  1  0.962  0.665  0.553  1.0
  O  O42  1  0.313  0.350  0.945  1.0
  O  O43  1  0.296  0.335  0.447  1.0
  O  O44  1  0.037  0.687  0.945  1.0
  O  O45  1  0.038  0.704  0.447  1.0
  O  O46  1  0.650  0.963  0.945  1.0
  O  O47  1  0.665  0.962  0.447  1.0
[/CIF]
.