The crystal structure described by CaSiO3 is Esseneite-derived structured and crystallizes in the triclinic P-1 space group. There are three inequivalent Ca sites. In the first Ca site, Ca(1) is bonded to one O(3), one O(6), one O(7), one O(8), and two equivalent O(2) atoms to form CaO6 octahedra that share  a cornercorner with one Si(2)O4 tetrahedra, corners with two equivalent Si(3)O4 tetrahedra, corners with three equivalent Si(1)O4 tetrahedra, and  an edgeedge with one Ca(1)O6 octahedra. In the second Ca site, Ca(2) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(3), one O(5), one O(7), and two equivalent O(8) atoms. In the third Ca site, Ca(3) is bonded in a 8-coordinate geometry to one O(3), one O(4), one O(7), one O(9), two equivalent O(5), and two equivalent O(6) atoms. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form SiO4 tetrahedra that share corners with three equivalent Ca(1)O6 octahedra,  a cornercorner with one Si(2)O4 tetrahedra, and  a cornercorner with one Si(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-64°. In the second Si site, Si(2) is bonded to one O(4), one O(5), one O(6), and one O(9) atom to form SiO4 tetrahedra that share  a cornercorner with one Ca(1)O6 octahedra,  a cornercorner with one Si(1)O4 tetrahedra, and  a cornercorner with one Si(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 54°. In the third Si site, Si(3) is bonded to one O(1), one O(7), one O(8), and one O(9) atom to form SiO4 tetrahedra that share corners with two equivalent Ca(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 range from 59-64°. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Ca(2), one Si(1), and one Si(3) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Ca(2), two equivalent Ca(1), and one Si(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Ca(1), one Ca(2), one Ca(3), and one Si(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Ca(3), one Si(1), and one Si(2) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Ca(2), two equivalent Ca(3), and one Si(2) atom. In the sixth O site, O(6) is bonded to one Ca(1), two equivalent Ca(3), and one Si(2) atom to form a mixture of distorted edge and corner-sharing OCa3Si tetrahedra. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Ca(1), one Ca(2), one Ca(3), and one Si(3) atom. In the eighth O site, O(8) is bonded to one Ca(1), two equivalent Ca(2), and one Si(3) atom to form a mixture of distorted edge and corner-sharing OCa3Si trigonal pyramids. In the ninth O site, O(9) is bonded in a distorted bent 120 degrees geometry to one Ca(3), one Si(2), and one Si(3) atom. is represented by the CIF file [CIF]
data_CaSiO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.740
_cell_length_b   6.786
_cell_length_c   9.412
_cell_angle_alpha   69.274
_cell_angle_beta   83.662
_cell_angle_gamma   75.811
_symmetry_Int_Tables_number   1
_cell_volume   390.243
_cell_formula_units_Z   6
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  0.922  0.584  0.663  1.0
  Ca  Ca1  1  0.078  0.416  0.337  1.0
  Ca  Ca2  1  0.588  0.238  0.651  1.0
  Ca  Ca3  1  0.412  0.762  0.349  1.0
  Ca  Ca4  1  0.763  0.743  0.000  1.0
  Ca  Ca5  1  0.237  0.257  1.000  1.0
  Si  Si6  1  0.039  0.024  0.700  1.0
  Si  Si7  1  0.961  0.976  0.300  1.0
  Si  Si8  1  0.270  0.772  0.984  1.0
  Si  Si9  1  0.730  0.228  0.016  1.0
  Si  Si10  1  0.387  0.665  0.705  1.0
  Si  Si11  1  0.613  0.335  0.295  1.0
  O  O12  1  0.238  0.905  0.614  1.0
  O  O13  1  0.762  0.095  0.386  1.0
  O  O14  1  0.953  0.273  0.598  1.0
  O  O15  1  0.047  0.727  0.402  1.0
  O  O16  1  0.856  0.893  0.737  1.0
  O  O17  1  0.144  0.107  0.263  1.0
  O  O18  1  0.134  0.004  0.864  1.0
  O  O19  1  0.866  0.996  0.137  1.0
  O  O20  1  0.612  0.159  0.907  1.0
  O  O21  1  0.388  0.841  0.093  1.0
  O  O22  1  0.871  0.402  0.939  1.0
  O  O23  1  0.129  0.598  0.061  1.0
  O  O24  1  0.736  0.526  0.258  1.0
  O  O25  1  0.264  0.474  0.742  1.0
  O  O26  1  0.419  0.378  0.406  1.0
  O  O27  1  0.581  0.622  0.594  1.0
  O  O28  1  0.550  0.310  0.136  1.0
  O  O29  1  0.450  0.690  0.864  1.0
[/CIF]
.
The crystal structure described by CaSiO3 is Esseneite-derived structured and crystallizes in the triclinic P-1 space group. There are three inequivalent Ca sites. In the first Ca site, Ca(1) is bonded to one O(3), one O(6), one O(7), one O(8), and two equivalent O(2) atoms to form CaO6 octahedra that share  a cornercorner with one Si(2)O4 tetrahedra, corners with two equivalent Si(3)O4 tetrahedra, corners with three equivalent Si(1)O4 tetrahedra, and  an edgeedge with one Ca(1)O6 octahedra. In the second Ca site, Ca(2) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(3), one O(5), one O(7), and two equivalent O(8) atoms. In the third Ca site, Ca(3) is bonded in a 8-coordinate geometry to one O(3), one O(4), one O(7), one O(9), two equivalent O(5), and two equivalent O(6) atoms. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form SiO4 tetrahedra that share corners with three equivalent Ca(1)O6 octahedra,  a cornercorner with one Si(2)O4 tetrahedra, and  a cornercorner with one Si(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-64°. In the second Si site, Si(2) is bonded to one O(4), one O(5), one O(6), and one O(9) atom to form SiO4 tetrahedra that share  a cornercorner with one Ca(1)O6 octahedra,  a cornercorner with one Si(1)O4 tetrahedra, and  a cornercorner with one Si(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 54°. In the third Si site, Si(3) is bonded to one O(1), one O(7), one O(8), and one O(9) atom to form SiO4 tetrahedra that share corners with two equivalent Ca(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 range from 59-64°. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Ca(2), one Si(1), and one Si(3) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Ca(2), two equivalent Ca(1), and one Si(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Ca(1), one Ca(2), one Ca(3), and one Si(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Ca(3), one Si(1), and one Si(2) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Ca(2), two equivalent Ca(3), and one Si(2) atom. In the sixth O site, O(6) is bonded to one Ca(1), two equivalent Ca(3), and one Si(2) atom to form a mixture of distorted edge and corner-sharing OCa3Si tetrahedra. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Ca(1), one Ca(2), one Ca(3), and one Si(3) atom. In the eighth O site, O(8) is bonded to one Ca(1), two equivalent Ca(2), and one Si(3) atom to form a mixture of distorted edge and corner-sharing OCa3Si trigonal pyramids. In the ninth O site, O(9) is bonded in a distorted bent 120 degrees geometry to one Ca(3), one Si(2), and one Si(3) atom. is represented by the CIF file [CIF]
data_CaSiO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.740
_cell_length_b   6.786
_cell_length_c   9.412
_cell_angle_alpha   69.274
_cell_angle_beta   83.662
_cell_angle_gamma   75.811
_symmetry_Int_Tables_number   1
_cell_volume   390.243
_cell_formula_units_Z   6
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  0.922  0.584  0.663  1.0
  Ca  Ca1  1  0.078  0.416  0.337  1.0
  Ca  Ca2  1  0.588  0.238  0.651  1.0
  Ca  Ca3  1  0.412  0.762  0.349  1.0
  Ca  Ca4  1  0.763  0.743  0.000  1.0
  Ca  Ca5  1  0.237  0.257  1.000  1.0
  Si  Si6  1  0.039  0.024  0.700  1.0
  Si  Si7  1  0.961  0.976  0.300  1.0
  Si  Si8  1  0.270  0.772  0.984  1.0
  Si  Si9  1  0.730  0.228  0.016  1.0
  Si  Si10  1  0.387  0.665  0.705  1.0
  Si  Si11  1  0.613  0.335  0.295  1.0
  O  O12  1  0.238  0.905  0.614  1.0
  O  O13  1  0.762  0.095  0.386  1.0
  O  O14  1  0.953  0.273  0.598  1.0
  O  O15  1  0.047  0.727  0.402  1.0
  O  O16  1  0.856  0.893  0.737  1.0
  O  O17  1  0.144  0.107  0.263  1.0
  O  O18  1  0.134  0.004  0.864  1.0
  O  O19  1  0.866  0.996  0.137  1.0
  O  O20  1  0.612  0.159  0.907  1.0
  O  O21  1  0.388  0.841  0.093  1.0
  O  O22  1  0.871  0.402  0.939  1.0
  O  O23  1  0.129  0.598  0.061  1.0
  O  O24  1  0.736  0.526  0.258  1.0
  O  O25  1  0.264  0.474  0.742  1.0
  O  O26  1  0.419  0.378  0.406  1.0
  O  O27  1  0.581  0.622  0.594  1.0
  O  O28  1  0.550  0.310  0.136  1.0
  O  O29  1  0.450  0.690  0.864  1.0
[/CIF]
.