The structure described by Ca11Si4O18Cl crystallizes in the tetragonal I4/mmm space group. There are three inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 5-coordinate geometry to one O(3), two equivalent O(1), two equivalent O(2), and one Cl(1) atom. In the second Ca site, Ca(2) is bonded to two equivalent O(3) and four equivalent O(1) atoms to form CaO6 octahedra that share corners with two equivalent Ca(2)O6 octahedra and corners with four equivalent Si(1)O4 tetrahedra. The corner-sharing octahedra are not tilted. In the third Ca site, Ca(3) is bonded in a body-centered cubic geometry to eight equivalent O(2) atoms. Si(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form SiO4 tetrahedra that share corners with two equivalent Ca(2)O6 octahedra. The corner-sharing octahedral tilt angles are 43°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Ca(2), two equivalent Ca(1), and one Si(1) atom. In the second O site, O(2) is bonded to one Ca(3), two equivalent Ca(1), and one Si(1) atom to form distorted OCa3Si tetrahedra that share corners with two equivalent O(3)Ca6 octahedra, corners with four equivalent O(2)Ca3Si tetrahedra, and edges with three equivalent O(2)Ca3Si tetrahedra. The corner-sharing octahedral tilt angles are 65°. In the third O site, O(3) is bonded to two equivalent Ca(2) and four equivalent Ca(1) atoms to form distorted OCa6 octahedra that share corners with two equivalent O(3)Ca6 octahedra and corners with eight equivalent O(2)Ca3Si tetrahedra. The corner-sharing octahedra are not tilted. Cl(1) is bonded in a body-centered cubic geometry to eight equivalent Ca(1) atoms. is represented by the CIF file [CIF]
data_Ca11Si4ClO18
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.702
_cell_length_b   8.702
_cell_length_c   8.702
_cell_angle_alpha   105.228
_cell_angle_beta   105.228
_cell_angle_gamma   118.339
_symmetry_Int_Tables_number   1
_cell_volume   498.027
_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  0.293  0.550  0.257  1.0
  Ca  Ca1  1  0.293  0.037  0.743  1.0
  Ca  Ca2  1  0.963  0.707  0.257  1.0
  Ca  Ca3  1  0.707  0.963  0.257  1.0
  Ca  Ca4  1  0.450  0.707  0.743  1.0
  Ca  Ca5  1  0.707  0.450  0.743  1.0
  Ca  Ca6  1  0.037  0.293  0.743  1.0
  Ca  Ca7  1  0.550  0.293  0.257  1.0
  Ca  Ca8  1  0.000  0.500  0.500  1.0
  Ca  Ca9  1  0.500  0.000  0.500  1.0
  Ca  Ca10  1  0.000  0.000  0.000  1.0
  Si  Si11  1  0.789  0.789  0.577  1.0
  Si  Si12  1  0.211  0.211  0.423  1.0
  Si  Si13  1  0.789  0.211  0.000  1.0
  Si  Si14  1  0.211  0.789  0.000  1.0
  Cl  Cl15  1  0.500  0.500  0.000  1.0
  O  O16  1  0.183  0.365  0.548  1.0
  O  O17  1  0.817  0.635  0.452  1.0
  O  O18  1  0.365  0.817  0.182  1.0
  O  O19  1  0.817  0.365  0.182  1.0
  O  O20  1  0.635  0.183  0.818  1.0
  O  O21  1  0.183  0.635  0.818  1.0
  O  O22  1  0.635  0.817  0.452  1.0
  O  O23  1  0.365  0.183  0.548  1.0
  O  O24  1  0.292  0.292  0.286  1.0
  O  O25  1  0.005  0.005  0.714  1.0
  O  O26  1  0.995  0.708  0.000  1.0
  O  O27  1  0.708  0.995  0.000  1.0
  O  O28  1  0.250  0.750  0.500  1.0
  O  O29  1  0.750  0.250  0.500  1.0
  O  O30  1  0.708  0.708  0.714  1.0
  O  O31  1  0.995  0.995  0.286  1.0
  O  O32  1  0.005  0.292  0.000  1.0
  O  O33  1  0.292  0.005  0.000  1.0
[/CIF]
.
The structure described by Ca11Si4O18Cl crystallizes in the tetragonal I4/mmm space group. There are three inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 5-coordinate geometry to one O(3), two equivalent O(1), two equivalent O(2), and one Cl(1) atom. In the second Ca site, Ca(2) is bonded to two equivalent O(3) and four equivalent O(1) atoms to form CaO6 octahedra that share corners with two equivalent Ca(2)O6 octahedra and corners with four equivalent Si(1)O4 tetrahedra. The corner-sharing octahedra are not tilted. In the third Ca site, Ca(3) is bonded in a body-centered cubic geometry to eight equivalent O(2) atoms. Si(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form SiO4 tetrahedra that share corners with two equivalent Ca(2)O6 octahedra. The corner-sharing octahedral tilt angles are 43°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Ca(2), two equivalent Ca(1), and one Si(1) atom. In the second O site, O(2) is bonded to one Ca(3), two equivalent Ca(1), and one Si(1) atom to form distorted OCa3Si tetrahedra that share corners with two equivalent O(3)Ca6 octahedra, corners with four equivalent O(2)Ca3Si tetrahedra, and edges with three equivalent O(2)Ca3Si tetrahedra. The corner-sharing octahedral tilt angles are 65°. In the third O site, O(3) is bonded to two equivalent Ca(2) and four equivalent Ca(1) atoms to form distorted OCa6 octahedra that share corners with two equivalent O(3)Ca6 octahedra and corners with eight equivalent O(2)Ca3Si tetrahedra. The corner-sharing octahedra are not tilted. Cl(1) is bonded in a body-centered cubic geometry to eight equivalent Ca(1) atoms. is represented by the CIF file [CIF]
data_Ca11Si4ClO18
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.702
_cell_length_b   8.702
_cell_length_c   8.702
_cell_angle_alpha   105.228
_cell_angle_beta   105.228
_cell_angle_gamma   118.339
_symmetry_Int_Tables_number   1
_cell_volume   498.027
_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  0.293  0.550  0.257  1.0
  Ca  Ca1  1  0.293  0.037  0.743  1.0
  Ca  Ca2  1  0.963  0.707  0.257  1.0
  Ca  Ca3  1  0.707  0.963  0.257  1.0
  Ca  Ca4  1  0.450  0.707  0.743  1.0
  Ca  Ca5  1  0.707  0.450  0.743  1.0
  Ca  Ca6  1  0.037  0.293  0.743  1.0
  Ca  Ca7  1  0.550  0.293  0.257  1.0
  Ca  Ca8  1  0.000  0.500  0.500  1.0
  Ca  Ca9  1  0.500  0.000  0.500  1.0
  Ca  Ca10  1  0.000  0.000  0.000  1.0
  Si  Si11  1  0.789  0.789  0.577  1.0
  Si  Si12  1  0.211  0.211  0.423  1.0
  Si  Si13  1  0.789  0.211  0.000  1.0
  Si  Si14  1  0.211  0.789  0.000  1.0
  Cl  Cl15  1  0.500  0.500  0.000  1.0
  O  O16  1  0.183  0.365  0.548  1.0
  O  O17  1  0.817  0.635  0.452  1.0
  O  O18  1  0.365  0.817  0.182  1.0
  O  O19  1  0.817  0.365  0.182  1.0
  O  O20  1  0.635  0.183  0.818  1.0
  O  O21  1  0.183  0.635  0.818  1.0
  O  O22  1  0.635  0.817  0.452  1.0
  O  O23  1  0.365  0.183  0.548  1.0
  O  O24  1  0.292  0.292  0.286  1.0
  O  O25  1  0.005  0.005  0.714  1.0
  O  O26  1  0.995  0.708  0.000  1.0
  O  O27  1  0.708  0.995  0.000  1.0
  O  O28  1  0.250  0.750  0.500  1.0
  O  O29  1  0.750  0.250  0.500  1.0
  O  O30  1  0.708  0.708  0.714  1.0
  O  O31  1  0.995  0.995  0.286  1.0
  O  O32  1  0.005  0.292  0.000  1.0
  O  O33  1  0.292  0.005  0.000  1.0
[/CIF]
.