The material structure described by Ca(SiO2)8 is Low Tridymite-derived structured and crystallizes in the monoclinic Pc space group. Ca(1) is bonded in a 4-coordinate geometry to one O(1), one O(11), one O(7), and one O(9) atom. There are eight inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(14), one O(16), one O(4), and one O(6) atom to form corner-sharing SiO4 tetrahedra. In the second Si site, Si(2) is bonded to one O(16), one O(2), one O(5), and one O(8) atom to form corner-sharing SiO4 tetrahedra. In the third Si site, Si(3) is bonded to one O(10), one O(11), one O(4), and one O(9) atom to form corner-sharing SiO4 tetrahedra. In the fourth Si site, Si(4) is bonded to one O(10), one O(13), one O(6), and one O(7) atom to form corner-sharing SiO4 tetrahedra. In the fifth Si site, Si(5) is bonded to one O(13), one O(14), one O(7), and one O(9) atom to form corner-sharing SiO4 tetrahedra. In the sixth Si site, Si(6) is bonded to one O(12), one O(15), one O(2), and one O(3) atom to form corner-sharing SiO4 tetrahedra. In the seventh Si site, Si(7) is bonded to one O(1), one O(12), one O(15), and one O(8) atom to form corner-sharing SiO4 tetrahedra. In the eighth Si site, Si(8) is bonded to one O(1), one O(11), one O(3), and one O(5) atom to form corner-sharing SiO4 tetrahedra. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Ca(1), one Si(7), and one Si(8) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Si(2) and one Si(6) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Si(6) and one Si(8) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Si(1) and one Si(3) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Si(2) and one Si(8) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Si(1) and one Si(4) atom. In the seventh O site, O(7) is bonded in a distorted bent 150 degrees geometry to one Ca(1), one Si(4), and one Si(5) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Si(2) and one Si(7) atom. In the ninth O site, O(9) is bonded in a distorted bent 150 degrees geometry to one Ca(1), one Si(3), and one Si(5) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one Si(3) and one Si(4) atom. In the eleventh O site, O(11) is bonded in a distorted bent 150 degrees geometry to one Ca(1), one Si(3), and one Si(8) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one Si(6) and one Si(7) atom. In the thirteenth O site, O(13) is bonded in a linear geometry to one Si(4) and one Si(5) atom. In the fourteenth O site, O(14) is bonded in a bent 150 degrees geometry to one Si(1) and one Si(5) atom. In the fifteenth O site, O(15) is bonded in a bent 150 degrees geometry to one Si(6) and one Si(7) atom. In the sixteenth O site, O(16) is bonded in a bent 150 degrees geometry to one Si(1) and one Si(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca(SiO2)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.067
_cell_length_b   6.754
_cell_length_c   10.102
_cell_angle_alpha   68.979
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   895.958
_cell_formula_units_Z   2
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  0.722  0.509  0.637  1.0
  Ca  Ca1  1  0.278  0.509  0.137  1.0
  Si  Si2  1  0.649  0.826  0.053  1.0
  Si  Si3  1  0.351  0.826  0.553  1.0
  Si  Si4  1  0.873  0.824  0.090  1.0
  Si  Si5  1  0.127  0.824  0.590  1.0
  Si  Si6  1  0.628  0.875  0.352  1.0
  Si  Si7  1  0.372  0.875  0.852  1.0
  Si  Si8  1  0.471  0.192  0.354  1.0
  Si  Si9  1  0.529  0.192  0.854  1.0
  Si  Si10  1  0.504  0.486  0.039  1.0
  Si  Si11  1  0.496  0.486  0.539  1.0
  Si  Si12  1  0.996  0.213  0.417  1.0
  Si  Si13  1  0.004  0.213  0.917  1.0
  Si  Si14  1  0.973  0.500  0.603  1.0
  Si  Si15  1  0.027  0.500  0.103  1.0
  Si  Si16  1  0.855  0.873  0.391  1.0
  Si  Si17  1  0.145  0.873  0.891  1.0
  O  O18  1  0.886  0.676  0.540  1.0
  O  O19  1  0.114  0.676  0.040  1.0
  O  O20  1  0.921  0.040  0.984  1.0
  O  O21  1  0.079  0.040  0.484  1.0
  O  O22  1  0.901  0.097  0.383  1.0
  O  O23  1  0.099  0.097  0.883  1.0
  O  O24  1  0.617  0.882  0.192  1.0
  O  O25  1  0.383  0.882  0.692  1.0
  O  O26  1  0.885  0.817  0.254  1.0
  O  O27  1  0.115  0.817  0.754  1.0
  O  O28  1  0.389  0.013  0.409  1.0
  O  O29  1  0.611  0.013  0.909  1.0
  O  O30  1  0.450  0.339  0.187  1.0
  O  O31  1  0.550  0.339  0.687  1.0
  O  O32  1  0.925  0.621  0.072  1.0
  O  O33  1  0.075  0.621  0.572  1.0
  O  O34  1  0.583  0.654  0.467  1.0
  O  O35  1  0.417  0.654  0.967  1.0
  O  O36  1  0.575  0.080  0.366  1.0
  O  O37  1  0.425  0.080  0.866  1.0
  O  O38  1  0.738  0.870  0.408  1.0
  O  O39  1  0.262  0.870  0.908  1.0
  O  O40  1  0.959  0.390  0.773  1.0
  O  O41  1  0.041  0.390  0.273  1.0
  O  O42  1  0.470  0.345  0.446  1.0
  O  O43  1  0.530  0.345  0.946  1.0
  O  O44  1  0.600  0.598  0.067  1.0
  O  O45  1  0.400  0.598  0.567  1.0
  O  O46  1  0.967  0.325  0.528  1.0
  O  O47  1  0.033  0.325  0.028  1.0
  O  O48  1  0.763  0.813  0.049  1.0
  O  O49  1  0.237  0.813  0.549  1.0
[/CIF]
.
The material structure described by Ca(SiO2)8 is Low Tridymite-derived structured and crystallizes in the monoclinic Pc space group. Ca(1) is bonded in a 4-coordinate geometry to one O(1), one O(11), one O(7), and one O(9) atom. There are eight inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(14), one O(16), one O(4), and one O(6) atom to form corner-sharing SiO4 tetrahedra. In the second Si site, Si(2) is bonded to one O(16), one O(2), one O(5), and one O(8) atom to form corner-sharing SiO4 tetrahedra. In the third Si site, Si(3) is bonded to one O(10), one O(11), one O(4), and one O(9) atom to form corner-sharing SiO4 tetrahedra. In the fourth Si site, Si(4) is bonded to one O(10), one O(13), one O(6), and one O(7) atom to form corner-sharing SiO4 tetrahedra. In the fifth Si site, Si(5) is bonded to one O(13), one O(14), one O(7), and one O(9) atom to form corner-sharing SiO4 tetrahedra. In the sixth Si site, Si(6) is bonded to one O(12), one O(15), one O(2), and one O(3) atom to form corner-sharing SiO4 tetrahedra. In the seventh Si site, Si(7) is bonded to one O(1), one O(12), one O(15), and one O(8) atom to form corner-sharing SiO4 tetrahedra. In the eighth Si site, Si(8) is bonded to one O(1), one O(11), one O(3), and one O(5) atom to form corner-sharing SiO4 tetrahedra. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Ca(1), one Si(7), and one Si(8) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Si(2) and one Si(6) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Si(6) and one Si(8) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Si(1) and one Si(3) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Si(2) and one Si(8) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Si(1) and one Si(4) atom. In the seventh O site, O(7) is bonded in a distorted bent 150 degrees geometry to one Ca(1), one Si(4), and one Si(5) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Si(2) and one Si(7) atom. In the ninth O site, O(9) is bonded in a distorted bent 150 degrees geometry to one Ca(1), one Si(3), and one Si(5) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one Si(3) and one Si(4) atom. In the eleventh O site, O(11) is bonded in a distorted bent 150 degrees geometry to one Ca(1), one Si(3), and one Si(8) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one Si(6) and one Si(7) atom. In the thirteenth O site, O(13) is bonded in a linear geometry to one Si(4) and one Si(5) atom. In the fourteenth O site, O(14) is bonded in a bent 150 degrees geometry to one Si(1) and one Si(5) atom. In the fifteenth O site, O(15) is bonded in a bent 150 degrees geometry to one Si(6) and one Si(7) atom. In the sixteenth O site, O(16) is bonded in a bent 150 degrees geometry to one Si(1) and one Si(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca(SiO2)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.067
_cell_length_b   6.754
_cell_length_c   10.102
_cell_angle_alpha   68.979
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   895.958
_cell_formula_units_Z   2
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  0.722  0.509  0.637  1.0
  Ca  Ca1  1  0.278  0.509  0.137  1.0
  Si  Si2  1  0.649  0.826  0.053  1.0
  Si  Si3  1  0.351  0.826  0.553  1.0
  Si  Si4  1  0.873  0.824  0.090  1.0
  Si  Si5  1  0.127  0.824  0.590  1.0
  Si  Si6  1  0.628  0.875  0.352  1.0
  Si  Si7  1  0.372  0.875  0.852  1.0
  Si  Si8  1  0.471  0.192  0.354  1.0
  Si  Si9  1  0.529  0.192  0.854  1.0
  Si  Si10  1  0.504  0.486  0.039  1.0
  Si  Si11  1  0.496  0.486  0.539  1.0
  Si  Si12  1  0.996  0.213  0.417  1.0
  Si  Si13  1  0.004  0.213  0.917  1.0
  Si  Si14  1  0.973  0.500  0.603  1.0
  Si  Si15  1  0.027  0.500  0.103  1.0
  Si  Si16  1  0.855  0.873  0.391  1.0
  Si  Si17  1  0.145  0.873  0.891  1.0
  O  O18  1  0.886  0.676  0.540  1.0
  O  O19  1  0.114  0.676  0.040  1.0
  O  O20  1  0.921  0.040  0.984  1.0
  O  O21  1  0.079  0.040  0.484  1.0
  O  O22  1  0.901  0.097  0.383  1.0
  O  O23  1  0.099  0.097  0.883  1.0
  O  O24  1  0.617  0.882  0.192  1.0
  O  O25  1  0.383  0.882  0.692  1.0
  O  O26  1  0.885  0.817  0.254  1.0
  O  O27  1  0.115  0.817  0.754  1.0
  O  O28  1  0.389  0.013  0.409  1.0
  O  O29  1  0.611  0.013  0.909  1.0
  O  O30  1  0.450  0.339  0.187  1.0
  O  O31  1  0.550  0.339  0.687  1.0
  O  O32  1  0.925  0.621  0.072  1.0
  O  O33  1  0.075  0.621  0.572  1.0
  O  O34  1  0.583  0.654  0.467  1.0
  O  O35  1  0.417  0.654  0.967  1.0
  O  O36  1  0.575  0.080  0.366  1.0
  O  O37  1  0.425  0.080  0.866  1.0
  O  O38  1  0.738  0.870  0.408  1.0
  O  O39  1  0.262  0.870  0.908  1.0
  O  O40  1  0.959  0.390  0.773  1.0
  O  O41  1  0.041  0.390  0.273  1.0
  O  O42  1  0.470  0.345  0.446  1.0
  O  O43  1  0.530  0.345  0.946  1.0
  O  O44  1  0.600  0.598  0.067  1.0
  O  O45  1  0.400  0.598  0.567  1.0
  O  O46  1  0.967  0.325  0.528  1.0
  O  O47  1  0.033  0.325  0.028  1.0
  O  O48  1  0.763  0.813  0.049  1.0
  O  O49  1  0.237  0.813  0.549  1.0
[/CIF]
.