The structure described by Ca4Hg9 crystallizes in the cubic P-43m space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 11-coordinate geometry to one Hg(1), one Hg(4), one Hg(6), two equivalent Hg(2), two equivalent Hg(5), and four equivalent Hg(3) atoms. In the second Ca site, Ca(2) is bonded in a 10-coordinate geometry to one Hg(6), three equivalent Hg(1), three equivalent Hg(2), and three equivalent Hg(3) atoms. There are six inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a 6-coordinate geometry to three equivalent Ca(1) and three equivalent Ca(2) atoms. In the second Hg site, Hg(2) is bonded in a 7-coordinate geometry to two equivalent Ca(2), four equivalent Ca(1), and one Hg(2) atom. In the third Hg site, Hg(3) is bonded in a 5-coordinate geometry to one Ca(2), four equivalent Ca(1), and one Hg(5) atom. In the fourth Hg site, Hg(4) is bonded in a 3-coordinate geometry to three equivalent Ca(1) and three equivalent Hg(5) atoms. In the fifth Hg site, Hg(5) is bonded in a 8-coordinate geometry to four equivalent Ca(1), two equivalent Hg(3), and two equivalent Hg(4) atoms. In the sixth Hg site, Hg(6) is bonded in a 4-coordinate geometry to one Ca(2) and three equivalent Ca(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca4Hg9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.125
_cell_length_b   11.125
_cell_length_c   11.125
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1377.037
_cell_formula_units_Z   4
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
  Ca  Ca0  1  0.809  0.464  0.191  1.0
  Ca  Ca1  1  0.464  0.191  0.809  1.0
  Ca  Ca2  1  0.536  0.809  0.809  1.0
  Ca  Ca3  1  0.866  0.134  0.866  1.0
  Ca  Ca4  1  0.191  0.809  0.464  1.0
  Ca  Ca5  1  0.134  0.866  0.866  1.0
  Ca  Ca6  1  0.809  0.191  0.464  1.0
  Ca  Ca7  1  0.536  0.191  0.191  1.0
  Ca  Ca8  1  0.191  0.536  0.191  1.0
  Ca  Ca9  1  0.134  0.134  0.134  1.0
  Ca  Ca10  1  0.191  0.191  0.536  1.0
  Ca  Ca11  1  0.809  0.809  0.536  1.0
  Ca  Ca12  1  0.809  0.536  0.809  1.0
  Ca  Ca13  1  0.191  0.464  0.809  1.0
  Ca  Ca14  1  0.464  0.809  0.191  1.0
  Ca  Ca15  1  0.866  0.866  0.134  1.0
  Hg  Hg16  1  0.840  0.840  0.840  1.0
  Hg  Hg17  1  0.000  0.000  0.362  1.0
  Hg  Hg18  1  0.324  0.975  0.676  1.0
  Hg  Hg19  1  0.324  0.025  0.324  1.0
  Hg  Hg20  1  0.840  0.160  0.160  1.0
  Hg  Hg21  1  0.605  0.605  0.605  1.0
  Hg  Hg22  1  0.638  0.000  0.000  1.0
  Hg  Hg23  1  0.605  0.395  0.395  1.0
  Hg  Hg24  1  0.676  0.676  0.025  1.0
  Hg  Hg25  1  0.160  0.840  0.160  1.0
  Hg  Hg26  1  0.500  0.500  0.852  1.0
  Hg  Hg27  1  0.316  0.684  0.684  1.0
  Hg  Hg28  1  0.684  0.316  0.684  1.0
  Hg  Hg29  1  0.500  0.148  0.500  1.0
  Hg  Hg30  1  0.975  0.676  0.324  1.0
  Hg  Hg31  1  0.000  0.000  0.638  1.0
  Hg  Hg32  1  0.316  0.316  0.316  1.0
  Hg  Hg33  1  0.025  0.324  0.324  1.0
  Hg  Hg34  1  0.395  0.395  0.605  1.0
  Hg  Hg35  1  0.324  0.676  0.975  1.0
  Hg  Hg36  1  0.500  0.500  0.148  1.0
  Hg  Hg37  1  0.684  0.684  0.316  1.0
  Hg  Hg38  1  0.676  0.324  0.975  1.0
  Hg  Hg39  1  0.500  0.852  0.500  1.0
  Hg  Hg40  1  0.160  0.160  0.840  1.0
  Hg  Hg41  1  0.000  0.362  0.000  1.0
  Hg  Hg42  1  0.975  0.324  0.676  1.0
  Hg  Hg43  1  0.148  0.500  0.500  1.0
  Hg  Hg44  1  0.395  0.605  0.395  1.0
  Hg  Hg45  1  0.676  0.975  0.324  1.0
  Hg  Hg46  1  0.676  0.025  0.676  1.0
  Hg  Hg47  1  0.852  0.500  0.500  1.0
  Hg  Hg48  1  0.000  0.638  0.000  1.0
  Hg  Hg49  1  0.025  0.676  0.676  1.0
  Hg  Hg50  1  0.324  0.324  0.025  1.0
  Hg  Hg51  1  0.362  0.000  0.000  1.0
[/CIF]
.
The structure described by Ca4Hg9 crystallizes in the cubic P-43m space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 11-coordinate geometry to one Hg(1), one Hg(4), one Hg(6), two equivalent Hg(2), two equivalent Hg(5), and four equivalent Hg(3) atoms. In the second Ca site, Ca(2) is bonded in a 10-coordinate geometry to one Hg(6), three equivalent Hg(1), three equivalent Hg(2), and three equivalent Hg(3) atoms. There are six inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a 6-coordinate geometry to three equivalent Ca(1) and three equivalent Ca(2) atoms. In the second Hg site, Hg(2) is bonded in a 7-coordinate geometry to two equivalent Ca(2), four equivalent Ca(1), and one Hg(2) atom. In the third Hg site, Hg(3) is bonded in a 5-coordinate geometry to one Ca(2), four equivalent Ca(1), and one Hg(5) atom. In the fourth Hg site, Hg(4) is bonded in a 3-coordinate geometry to three equivalent Ca(1) and three equivalent Hg(5) atoms. In the fifth Hg site, Hg(5) is bonded in a 8-coordinate geometry to four equivalent Ca(1), two equivalent Hg(3), and two equivalent Hg(4) atoms. In the sixth Hg site, Hg(6) is bonded in a 4-coordinate geometry to one Ca(2) and three equivalent Ca(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca4Hg9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.125
_cell_length_b   11.125
_cell_length_c   11.125
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1377.037
_cell_formula_units_Z   4
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
  Ca  Ca0  1  0.809  0.464  0.191  1.0
  Ca  Ca1  1  0.464  0.191  0.809  1.0
  Ca  Ca2  1  0.536  0.809  0.809  1.0
  Ca  Ca3  1  0.866  0.134  0.866  1.0
  Ca  Ca4  1  0.191  0.809  0.464  1.0
  Ca  Ca5  1  0.134  0.866  0.866  1.0
  Ca  Ca6  1  0.809  0.191  0.464  1.0
  Ca  Ca7  1  0.536  0.191  0.191  1.0
  Ca  Ca8  1  0.191  0.536  0.191  1.0
  Ca  Ca9  1  0.134  0.134  0.134  1.0
  Ca  Ca10  1  0.191  0.191  0.536  1.0
  Ca  Ca11  1  0.809  0.809  0.536  1.0
  Ca  Ca12  1  0.809  0.536  0.809  1.0
  Ca  Ca13  1  0.191  0.464  0.809  1.0
  Ca  Ca14  1  0.464  0.809  0.191  1.0
  Ca  Ca15  1  0.866  0.866  0.134  1.0
  Hg  Hg16  1  0.840  0.840  0.840  1.0
  Hg  Hg17  1  0.000  0.000  0.362  1.0
  Hg  Hg18  1  0.324  0.975  0.676  1.0
  Hg  Hg19  1  0.324  0.025  0.324  1.0
  Hg  Hg20  1  0.840  0.160  0.160  1.0
  Hg  Hg21  1  0.605  0.605  0.605  1.0
  Hg  Hg22  1  0.638  0.000  0.000  1.0
  Hg  Hg23  1  0.605  0.395  0.395  1.0
  Hg  Hg24  1  0.676  0.676  0.025  1.0
  Hg  Hg25  1  0.160  0.840  0.160  1.0
  Hg  Hg26  1  0.500  0.500  0.852  1.0
  Hg  Hg27  1  0.316  0.684  0.684  1.0
  Hg  Hg28  1  0.684  0.316  0.684  1.0
  Hg  Hg29  1  0.500  0.148  0.500  1.0
  Hg  Hg30  1  0.975  0.676  0.324  1.0
  Hg  Hg31  1  0.000  0.000  0.638  1.0
  Hg  Hg32  1  0.316  0.316  0.316  1.0
  Hg  Hg33  1  0.025  0.324  0.324  1.0
  Hg  Hg34  1  0.395  0.395  0.605  1.0
  Hg  Hg35  1  0.324  0.676  0.975  1.0
  Hg  Hg36  1  0.500  0.500  0.148  1.0
  Hg  Hg37  1  0.684  0.684  0.316  1.0
  Hg  Hg38  1  0.676  0.324  0.975  1.0
  Hg  Hg39  1  0.500  0.852  0.500  1.0
  Hg  Hg40  1  0.160  0.160  0.840  1.0
  Hg  Hg41  1  0.000  0.362  0.000  1.0
  Hg  Hg42  1  0.975  0.324  0.676  1.0
  Hg  Hg43  1  0.148  0.500  0.500  1.0
  Hg  Hg44  1  0.395  0.605  0.395  1.0
  Hg  Hg45  1  0.676  0.975  0.324  1.0
  Hg  Hg46  1  0.676  0.025  0.676  1.0
  Hg  Hg47  1  0.852  0.500  0.500  1.0
  Hg  Hg48  1  0.000  0.638  0.000  1.0
  Hg  Hg49  1  0.025  0.676  0.676  1.0
  Hg  Hg50  1  0.324  0.324  0.025  1.0
  Hg  Hg51  1  0.362  0.000  0.000  1.0
[/CIF]
.