The material structure described by Ca6MnPb2Si6(SO16)2 crystallizes in the monoclinic C2/m space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 8-coordinate geometry to one O(1), one O(8), two equivalent O(11), two equivalent O(4), and two equivalent O(5) atoms. In the second Ca site, Ca(2) is bonded in a 7-coordinate geometry to one O(1), one O(10), one O(2), one O(3), one O(4), one O(5), and one O(9) atom. Mn(1) is bonded to two equivalent O(2) and four equivalent O(5) atoms to form MnO6 octahedra that share corners with two equivalent Si(1)O4 tetrahedra and corners with four equivalent Si(2)O4 tetrahedra. Pb(1) is bonded in a 4-coordinate geometry to one O(10), one O(7), and two equivalent O(4) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form SiO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra and corners with two equivalent Si(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 49°. In the second Si site, Si(2) is bonded to one O(3), one O(4), one O(5), and one O(6) atom to form SiO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Si(1)O4 tetrahedra, and  a cornercorner with one Si(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 47°. S(1) is bonded in a tetrahedral geometry to one O(7), one O(8), and two equivalent O(9) atoms. There are eleven inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Ca(1), two equivalent Ca(2), and one Si(1) atom. In the second O site, O(2) is bonded to two equivalent Ca(2), one Mn(1), and one Si(1) atom to form distorted corner-sharing OCa2MnSi tetrahedra. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Ca(2), one Si(1), and one Si(2) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Ca(1), one Ca(2), one Pb(1), and one Si(2) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Ca(1), one Ca(2), one Mn(1), and one Si(2) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to two equivalent Si(2) atoms. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to one Pb(1) and one S(1) atom. In the eighth O site, O(8) is bonded in a distorted bent 150 degrees geometry to one Ca(1) and one S(1) atom. In the ninth O site, O(9) is bonded in a distorted bent 120 degrees geometry to one Ca(2) and one S(1) atom. In the tenth O site, O(11) is bonded in a single-bond geometry to one Ca(1) atom. In the eleventh O site, O(10) is bonded in a trigonal non-coplanar geometry to two equivalent Ca(2) and one Pb(1) atom. is represented by the CIF card [CIF]
data_Ca6MnSi6Pb2(SO16)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.804
_cell_length_b   7.804
_cell_length_c   13.007
_cell_angle_alpha   78.047
_cell_angle_beta   78.047
_cell_angle_gamma   63.386
_symmetry_Int_Tables_number   1
_cell_volume   686.879
_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
  Ca  Ca0  1  0.445  0.445  0.232  1.0
  Ca  Ca1  1  0.555  0.555  0.768  1.0
  Ca  Ca2  1  0.931  0.466  0.324  1.0
  Ca  Ca3  1  0.466  0.931  0.324  1.0
  Ca  Ca4  1  0.069  0.534  0.676  1.0
  Ca  Ca5  1  0.534  0.069  0.676  1.0
  Mn  Mn6  1  0.500  0.500  0.500  1.0
  Si  Si7  1  0.239  0.239  0.485  1.0
  Si  Si8  1  0.761  0.761  0.515  1.0
  Si  Si9  1  0.115  0.762  0.372  1.0
  Si  Si10  1  0.762  0.115  0.372  1.0
  Si  Si11  1  0.885  0.238  0.628  1.0
  Si  Si12  1  0.238  0.885  0.628  1.0
  Pb  Pb13  1  0.893  0.893  0.130  1.0
  Pb  Pb14  1  0.107  0.107  0.870  1.0
  S  S15  1  0.233  0.233  0.108  1.0
  S  S16  1  0.767  0.767  0.892  1.0
  O  O17  1  0.275  0.275  0.358  1.0
  O  O18  1  0.725  0.725  0.642  1.0
  O  O19  1  0.674  0.674  0.447  1.0
  O  O20  1  0.326  0.326  0.553  1.0
  O  O21  1  0.001  0.682  0.480  1.0
  O  O22  1  0.682  0.001  0.480  1.0
  O  O23  1  0.999  0.318  0.520  1.0
  O  O24  1  0.318  0.999  0.520  1.0
  O  O25  1  0.098  0.684  0.270  1.0
  O  O26  1  0.684  0.098  0.270  1.0
  O  O27  1  0.902  0.316  0.730  1.0
  O  O28  1  0.316  0.902  0.730  1.0
  O  O29  1  0.680  0.343  0.386  1.0
  O  O30  1  0.343  0.680  0.386  1.0
  O  O31  1  0.320  0.657  0.614  1.0
  O  O32  1  0.657  0.320  0.614  1.0
  O  O33  1  0.002  0.002  0.363  1.0
  O  O34  1  0.998  0.998  0.637  1.0
  O  O35  1  0.220  0.220  0.000  1.0
  O  O36  1  0.780  0.780  1.000  1.0
  O  O37  1  0.345  0.345  0.108  1.0
  O  O38  1  0.655  0.655  0.892  1.0
  O  O39  1  0.035  0.332  0.167  1.0
  O  O40  1  0.332  0.035  0.167  1.0
  O  O41  1  0.965  0.668  0.833  1.0
  O  O42  1  0.668  0.965  0.833  1.0
  O  O43  1  0.730  0.730  0.225  1.0
  O  O44  1  0.270  0.270  0.775  1.0
  O  O45  1  0.737  0.361  0.099  1.0
  O  O46  1  0.361  0.737  0.099  1.0
  O  O47  1  0.263  0.639  0.901  1.0
  O  O48  1  0.639  0.263  0.901  1.0
[/CIF]
.
The material structure described by Ca6MnPb2Si6(SO16)2 crystallizes in the monoclinic C2/m space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 8-coordinate geometry to one O(1), one O(8), two equivalent O(11), two equivalent O(4), and two equivalent O(5) atoms. In the second Ca site, Ca(2) is bonded in a 7-coordinate geometry to one O(1), one O(10), one O(2), one O(3), one O(4), one O(5), and one O(9) atom. Mn(1) is bonded to two equivalent O(2) and four equivalent O(5) atoms to form MnO6 octahedra that share corners with two equivalent Si(1)O4 tetrahedra and corners with four equivalent Si(2)O4 tetrahedra. Pb(1) is bonded in a 4-coordinate geometry to one O(10), one O(7), and two equivalent O(4) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form SiO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra and corners with two equivalent Si(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 49°. In the second Si site, Si(2) is bonded to one O(3), one O(4), one O(5), and one O(6) atom to form SiO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Si(1)O4 tetrahedra, and  a cornercorner with one Si(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 47°. S(1) is bonded in a tetrahedral geometry to one O(7), one O(8), and two equivalent O(9) atoms. There are eleven inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Ca(1), two equivalent Ca(2), and one Si(1) atom. In the second O site, O(2) is bonded to two equivalent Ca(2), one Mn(1), and one Si(1) atom to form distorted corner-sharing OCa2MnSi tetrahedra. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Ca(2), one Si(1), and one Si(2) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Ca(1), one Ca(2), one Pb(1), and one Si(2) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Ca(1), one Ca(2), one Mn(1), and one Si(2) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to two equivalent Si(2) atoms. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to one Pb(1) and one S(1) atom. In the eighth O site, O(8) is bonded in a distorted bent 150 degrees geometry to one Ca(1) and one S(1) atom. In the ninth O site, O(9) is bonded in a distorted bent 120 degrees geometry to one Ca(2) and one S(1) atom. In the tenth O site, O(11) is bonded in a single-bond geometry to one Ca(1) atom. In the eleventh O site, O(10) is bonded in a trigonal non-coplanar geometry to two equivalent Ca(2) and one Pb(1) atom. is represented by the CIF card [CIF]
data_Ca6MnSi6Pb2(SO16)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.804
_cell_length_b   7.804
_cell_length_c   13.007
_cell_angle_alpha   78.047
_cell_angle_beta   78.047
_cell_angle_gamma   63.386
_symmetry_Int_Tables_number   1
_cell_volume   686.879
_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
  Ca  Ca0  1  0.445  0.445  0.232  1.0
  Ca  Ca1  1  0.555  0.555  0.768  1.0
  Ca  Ca2  1  0.931  0.466  0.324  1.0
  Ca  Ca3  1  0.466  0.931  0.324  1.0
  Ca  Ca4  1  0.069  0.534  0.676  1.0
  Ca  Ca5  1  0.534  0.069  0.676  1.0
  Mn  Mn6  1  0.500  0.500  0.500  1.0
  Si  Si7  1  0.239  0.239  0.485  1.0
  Si  Si8  1  0.761  0.761  0.515  1.0
  Si  Si9  1  0.115  0.762  0.372  1.0
  Si  Si10  1  0.762  0.115  0.372  1.0
  Si  Si11  1  0.885  0.238  0.628  1.0
  Si  Si12  1  0.238  0.885  0.628  1.0
  Pb  Pb13  1  0.893  0.893  0.130  1.0
  Pb  Pb14  1  0.107  0.107  0.870  1.0
  S  S15  1  0.233  0.233  0.108  1.0
  S  S16  1  0.767  0.767  0.892  1.0
  O  O17  1  0.275  0.275  0.358  1.0
  O  O18  1  0.725  0.725  0.642  1.0
  O  O19  1  0.674  0.674  0.447  1.0
  O  O20  1  0.326  0.326  0.553  1.0
  O  O21  1  0.001  0.682  0.480  1.0
  O  O22  1  0.682  0.001  0.480  1.0
  O  O23  1  0.999  0.318  0.520  1.0
  O  O24  1  0.318  0.999  0.520  1.0
  O  O25  1  0.098  0.684  0.270  1.0
  O  O26  1  0.684  0.098  0.270  1.0
  O  O27  1  0.902  0.316  0.730  1.0
  O  O28  1  0.316  0.902  0.730  1.0
  O  O29  1  0.680  0.343  0.386  1.0
  O  O30  1  0.343  0.680  0.386  1.0
  O  O31  1  0.320  0.657  0.614  1.0
  O  O32  1  0.657  0.320  0.614  1.0
  O  O33  1  0.002  0.002  0.363  1.0
  O  O34  1  0.998  0.998  0.637  1.0
  O  O35  1  0.220  0.220  0.000  1.0
  O  O36  1  0.780  0.780  1.000  1.0
  O  O37  1  0.345  0.345  0.108  1.0
  O  O38  1  0.655  0.655  0.892  1.0
  O  O39  1  0.035  0.332  0.167  1.0
  O  O40  1  0.332  0.035  0.167  1.0
  O  O41  1  0.965  0.668  0.833  1.0
  O  O42  1  0.668  0.965  0.833  1.0
  O  O43  1  0.730  0.730  0.225  1.0
  O  O44  1  0.270  0.270  0.775  1.0
  O  O45  1  0.737  0.361  0.099  1.0
  O  O46  1  0.361  0.737  0.099  1.0
  O  O47  1  0.263  0.639  0.901  1.0
  O  O48  1  0.639  0.263  0.901  1.0
[/CIF]
.