The compound described by Ca(SiO2)6 crystallizes in the triclinic P1 space group. Ca(1) is bonded in a 8-coordinate geometry to one Si(3), one O(10), one O(12), one O(2), one O(3), one O(4), one O(5), and one O(7) atom. There are six inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(10), one O(3), one O(5), and one O(9) atom to form corner-sharing SiO4 tetrahedra. In the second Si site, Si(2) is bonded to one O(10), one O(4), one O(6), and one O(9) atom to form corner-sharing SiO4 tetrahedra. In the third Si site, Si(3) is bonded in a distorted trigonal non-coplanar geometry to one Ca(1), one O(1), one O(7), and one O(8) atom. In the fourth Si site, Si(4) is bonded to one O(11), one O(2), one O(7), and one O(8) atom to form corner-sharing SiO4 tetrahedra. In the fifth Si site, Si(5) is bonded to one O(1), one O(2), one O(5), and one O(6) atom to form corner-sharing SiO4 tetrahedra. In the sixth Si site, Si(6) is bonded to one O(11), one O(12), one O(3), and one O(4) atom to form corner-sharing SiO4 tetrahedra. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Si(3) and one Si(5) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Ca(1), one Si(4), and one Si(5) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Ca(1), one Si(1), and one Si(6) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Ca(1), one Si(2), and one Si(6) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to one Ca(1), one Si(1), and one Si(5) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Si(2) and one Si(5) atom. In the seventh O site, O(7) is bonded in a distorted trigonal non-coplanar geometry to one Ca(1), one Si(3), and one Si(4) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one Si(3) and one Si(4) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one Si(1) and one Si(2) atom. In the tenth O site, O(10) is bonded in a distorted T-shaped geometry to one Ca(1), one Si(1), and one Si(2) atom. In the eleventh O site, O(11) is bonded in a distorted bent 120 degrees geometry to one Si(4) and one Si(6) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one Ca(1) and one Si(6) atom. is represented by the CIF card [CIF]
data_Ca(SiO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.112
_cell_length_b   7.215
_cell_length_c   8.299
_cell_angle_alpha   72.948
_cell_angle_beta   68.036
_cell_angle_gamma   72.784
_symmetry_Int_Tables_number   1
_cell_volume   265.341
_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  0.209  0.910  0.458  1.0
  Si  Si1  1  0.329  0.360  0.343  1.0
  Si  Si2  1  0.000  0.214  0.143  1.0
  Si  Si3  1  0.698  0.692  0.682  1.0
  Si  Si4  1  0.009  0.793  0.864  1.0
  Si  Si5  1  0.013  0.251  0.754  1.0
  Si  Si6  1  0.950  0.757  0.241  1.0
  O  O7  1  0.760  0.437  0.718  1.0
  O  O8  1  0.914  0.039  0.811  1.0
  O  O9  1  0.171  0.590  0.343  1.0
  O  O10  1  0.033  0.974  0.218  1.0
  O  O11  1  0.272  0.237  0.554  1.0
  O  O12  1  0.106  0.264  0.925  1.0
  O  O13  1  0.325  0.737  0.713  1.0
  O  O14  1  0.741  0.708  0.873  1.0
  O  O15  1  0.671  0.326  0.234  1.0
  O  O16  1  0.196  0.254  0.245  1.0
  O  O17  1  0.086  0.704  0.045  1.0
  O  O18  1  0.618  0.764  0.323  1.0
[/CIF]
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The compound described by Ca(SiO2)6 crystallizes in the triclinic P1 space group. Ca(1) is bonded in a 8-coordinate geometry to one Si(3), one O(10), one O(12), one O(2), one O(3), one O(4), one O(5), and one O(7) atom. There are six inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(10), one O(3), one O(5), and one O(9) atom to form corner-sharing SiO4 tetrahedra. In the second Si site, Si(2) is bonded to one O(10), one O(4), one O(6), and one O(9) atom to form corner-sharing SiO4 tetrahedra. In the third Si site, Si(3) is bonded in a distorted trigonal non-coplanar geometry to one Ca(1), one O(1), one O(7), and one O(8) atom. In the fourth Si site, Si(4) is bonded to one O(11), one O(2), one O(7), and one O(8) atom to form corner-sharing SiO4 tetrahedra. In the fifth Si site, Si(5) is bonded to one O(1), one O(2), one O(5), and one O(6) atom to form corner-sharing SiO4 tetrahedra. In the sixth Si site, Si(6) is bonded to one O(11), one O(12), one O(3), and one O(4) atom to form corner-sharing SiO4 tetrahedra. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Si(3) and one Si(5) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Ca(1), one Si(4), and one Si(5) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Ca(1), one Si(1), and one Si(6) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Ca(1), one Si(2), and one Si(6) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to one Ca(1), one Si(1), and one Si(5) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Si(2) and one Si(5) atom. In the seventh O site, O(7) is bonded in a distorted trigonal non-coplanar geometry to one Ca(1), one Si(3), and one Si(4) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one Si(3) and one Si(4) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one Si(1) and one Si(2) atom. In the tenth O site, O(10) is bonded in a distorted T-shaped geometry to one Ca(1), one Si(1), and one Si(2) atom. In the eleventh O site, O(11) is bonded in a distorted bent 120 degrees geometry to one Si(4) and one Si(6) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one Ca(1) and one Si(6) atom. is represented by the CIF card [CIF]
data_Ca(SiO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.112
_cell_length_b   7.215
_cell_length_c   8.299
_cell_angle_alpha   72.948
_cell_angle_beta   68.036
_cell_angle_gamma   72.784
_symmetry_Int_Tables_number   1
_cell_volume   265.341
_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  0.209  0.910  0.458  1.0
  Si  Si1  1  0.329  0.360  0.343  1.0
  Si  Si2  1  0.000  0.214  0.143  1.0
  Si  Si3  1  0.698  0.692  0.682  1.0
  Si  Si4  1  0.009  0.793  0.864  1.0
  Si  Si5  1  0.013  0.251  0.754  1.0
  Si  Si6  1  0.950  0.757  0.241  1.0
  O  O7  1  0.760  0.437  0.718  1.0
  O  O8  1  0.914  0.039  0.811  1.0
  O  O9  1  0.171  0.590  0.343  1.0
  O  O10  1  0.033  0.974  0.218  1.0
  O  O11  1  0.272  0.237  0.554  1.0
  O  O12  1  0.106  0.264  0.925  1.0
  O  O13  1  0.325  0.737  0.713  1.0
  O  O14  1  0.741  0.708  0.873  1.0
  O  O15  1  0.671  0.326  0.234  1.0
  O  O16  1  0.196  0.254  0.245  1.0
  O  O17  1  0.086  0.704  0.045  1.0
  O  O18  1  0.618  0.764  0.323  1.0
[/CIF]
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