The compound described by CaSiO3 crystallizes in the monoclinic C2/c space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded to two equivalent O(2), two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms to form distorted CaO8 hexagonal bipyramids that share corners with two equivalent Ca(2)O8 hexagonal bipyramids, corners with two equivalent Si(2)O4 tetrahedra, edges with six equivalent Ca(2)O8 hexagonal bipyramids, edges with two equivalent Si(1)O4 tetrahedra, and edges with two equivalent Si(2)O4 tetrahedra. In the second Ca site, Ca(2) is bonded to one O(1), one O(3), two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms to form distorted CaO8 hexagonal bipyramids that share  a cornercorner with one Ca(1)O8 hexagonal bipyramid,  a cornercorner with one Ca(2)O8 hexagonal bipyramid,  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra, edges with three equivalent Ca(1)O8 hexagonal bipyramids, edges with three equivalent Ca(2)O8 hexagonal bipyramids,  an edgeedge with one Si(1)O4 tetrahedra, and edges with three equivalent Si(2)O4 tetrahedra. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to two equivalent O(2) and two equivalent O(3) atoms to form SiO4 tetrahedra that share corners with two equivalent Ca(2)O8 hexagonal bipyramids, corners with two equivalent Si(2)O4 tetrahedra, edges with two equivalent Ca(1)O8 hexagonal bipyramids, and edges with two equivalent Ca(2)O8 hexagonal bipyramids. In the second Si site, Si(2) is bonded to one O(1), one O(3), one O(4), and one O(5) atom to form SiO4 tetrahedra that share  a cornercorner with one Ca(1)O8 hexagonal bipyramid,  a cornercorner with one Ca(2)O8 hexagonal bipyramid,  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra,  an edgeedge with one Ca(1)O8 hexagonal bipyramid, and edges with three equivalent Ca(2)O8 hexagonal bipyramids. There are five inequivalent O sites. In the first O site, O(4) is bonded in a 4-coordinate geometry to one Ca(1), two equivalent Ca(2), and one Si(2) atom. In the second O site, O(5) is bonded in a 4-coordinate geometry to one Ca(1), two equivalent Ca(2), and one Si(2) atom. In the third O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Ca(2) and two equivalent Si(2) atoms. In the fourth O site, O(2) is bonded in a 4-coordinate geometry to one Ca(1), two equivalent Ca(2), and one Si(1) atom. In the fifth O site, O(3) is bonded in a 4-coordinate geometry to one Ca(1), one Ca(2), one Si(1), and one Si(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CaSiO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.909
_cell_length_b   6.909
_cell_length_c   10.618
_cell_angle_alpha   71.706
_cell_angle_beta   71.706
_cell_angle_gamma   60.254
_symmetry_Int_Tables_number   1
_cell_volume   410.095
_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  0.000  0.500  0.500  1.0
  Ca  Ca1  1  0.500  0.000  0.000  1.0
  Ca  Ca2  1  0.151  0.674  0.999  1.0
  Ca  Ca3  1  0.326  0.849  0.501  1.0
  Ca  Ca4  1  0.849  0.326  0.001  1.0
  Ca  Ca5  1  0.674  0.151  0.499  1.0
  Si  Si6  1  0.840  0.160  0.750  1.0
  Si  Si7  1  0.160  0.840  0.250  1.0
  Si  Si8  1  0.325  0.419  0.745  1.0
  Si  Si9  1  0.581  0.675  0.755  1.0
  Si  Si10  1  0.675  0.581  0.255  1.0
  Si  Si11  1  0.419  0.325  0.245  1.0
  O  O12  1  0.358  0.642  0.750  1.0
  O  O13  1  0.642  0.358  0.250  1.0
  O  O14  1  0.893  0.007  0.895  1.0
  O  O15  1  0.993  0.107  0.605  1.0
  O  O16  1  0.107  0.993  0.105  1.0
  O  O17  1  0.007  0.893  0.395  1.0
  O  O18  1  0.582  0.195  0.748  1.0
  O  O19  1  0.805  0.418  0.752  1.0
  O  O20  1  0.418  0.805  0.252  1.0
  O  O21  1  0.195  0.582  0.248  1.0
  O  O22  1  0.171  0.372  0.888  1.0
  O  O23  1  0.628  0.829  0.612  1.0
  O  O24  1  0.468  0.276  0.097  1.0
  O  O25  1  0.724  0.532  0.403  1.0
  O  O26  1  0.532  0.724  0.903  1.0
  O  O27  1  0.276  0.468  0.597  1.0
  O  O28  1  0.372  0.171  0.388  1.0
  O  O29  1  0.829  0.628  0.112  1.0
[/CIF]
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The compound described by CaSiO3 crystallizes in the monoclinic C2/c space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded to two equivalent O(2), two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms to form distorted CaO8 hexagonal bipyramids that share corners with two equivalent Ca(2)O8 hexagonal bipyramids, corners with two equivalent Si(2)O4 tetrahedra, edges with six equivalent Ca(2)O8 hexagonal bipyramids, edges with two equivalent Si(1)O4 tetrahedra, and edges with two equivalent Si(2)O4 tetrahedra. In the second Ca site, Ca(2) is bonded to one O(1), one O(3), two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms to form distorted CaO8 hexagonal bipyramids that share  a cornercorner with one Ca(1)O8 hexagonal bipyramid,  a cornercorner with one Ca(2)O8 hexagonal bipyramid,  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra, edges with three equivalent Ca(1)O8 hexagonal bipyramids, edges with three equivalent Ca(2)O8 hexagonal bipyramids,  an edgeedge with one Si(1)O4 tetrahedra, and edges with three equivalent Si(2)O4 tetrahedra. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to two equivalent O(2) and two equivalent O(3) atoms to form SiO4 tetrahedra that share corners with two equivalent Ca(2)O8 hexagonal bipyramids, corners with two equivalent Si(2)O4 tetrahedra, edges with two equivalent Ca(1)O8 hexagonal bipyramids, and edges with two equivalent Ca(2)O8 hexagonal bipyramids. In the second Si site, Si(2) is bonded to one O(1), one O(3), one O(4), and one O(5) atom to form SiO4 tetrahedra that share  a cornercorner with one Ca(1)O8 hexagonal bipyramid,  a cornercorner with one Ca(2)O8 hexagonal bipyramid,  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra,  an edgeedge with one Ca(1)O8 hexagonal bipyramid, and edges with three equivalent Ca(2)O8 hexagonal bipyramids. There are five inequivalent O sites. In the first O site, O(4) is bonded in a 4-coordinate geometry to one Ca(1), two equivalent Ca(2), and one Si(2) atom. In the second O site, O(5) is bonded in a 4-coordinate geometry to one Ca(1), two equivalent Ca(2), and one Si(2) atom. In the third O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Ca(2) and two equivalent Si(2) atoms. In the fourth O site, O(2) is bonded in a 4-coordinate geometry to one Ca(1), two equivalent Ca(2), and one Si(1) atom. In the fifth O site, O(3) is bonded in a 4-coordinate geometry to one Ca(1), one Ca(2), one Si(1), and one Si(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CaSiO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.909
_cell_length_b   6.909
_cell_length_c   10.618
_cell_angle_alpha   71.706
_cell_angle_beta   71.706
_cell_angle_gamma   60.254
_symmetry_Int_Tables_number   1
_cell_volume   410.095
_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  0.000  0.500  0.500  1.0
  Ca  Ca1  1  0.500  0.000  0.000  1.0
  Ca  Ca2  1  0.151  0.674  0.999  1.0
  Ca  Ca3  1  0.326  0.849  0.501  1.0
  Ca  Ca4  1  0.849  0.326  0.001  1.0
  Ca  Ca5  1  0.674  0.151  0.499  1.0
  Si  Si6  1  0.840  0.160  0.750  1.0
  Si  Si7  1  0.160  0.840  0.250  1.0
  Si  Si8  1  0.325  0.419  0.745  1.0
  Si  Si9  1  0.581  0.675  0.755  1.0
  Si  Si10  1  0.675  0.581  0.255  1.0
  Si  Si11  1  0.419  0.325  0.245  1.0
  O  O12  1  0.358  0.642  0.750  1.0
  O  O13  1  0.642  0.358  0.250  1.0
  O  O14  1  0.893  0.007  0.895  1.0
  O  O15  1  0.993  0.107  0.605  1.0
  O  O16  1  0.107  0.993  0.105  1.0
  O  O17  1  0.007  0.893  0.395  1.0
  O  O18  1  0.582  0.195  0.748  1.0
  O  O19  1  0.805  0.418  0.752  1.0
  O  O20  1  0.418  0.805  0.252  1.0
  O  O21  1  0.195  0.582  0.248  1.0
  O  O22  1  0.171  0.372  0.888  1.0
  O  O23  1  0.628  0.829  0.612  1.0
  O  O24  1  0.468  0.276  0.097  1.0
  O  O25  1  0.724  0.532  0.403  1.0
  O  O26  1  0.532  0.724  0.903  1.0
  O  O27  1  0.276  0.468  0.597  1.0
  O  O28  1  0.372  0.171  0.388  1.0
  O  O29  1  0.829  0.628  0.112  1.0
[/CIF]
.