The material structure described by Ca2SiO4 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. In the second Ca site, Ca(2) is bonded in a 7-coordinate geometry to one O(4), two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. Si(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to two equivalent Ca(1), two equivalent Ca(2), and one Si(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to two equivalent Ca(1), two equivalent Ca(2), and one Si(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Ca(1), two equivalent Ca(2), and one Si(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Ca(2), two equivalent Ca(1), and one Si(1) atom. is represented by the CIF card [CIF]
data_Ca2SiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.816
_cell_length_b   5.576
_cell_length_c   10.523
_cell_angle_alpha   62.691
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   355.316
_cell_formula_units_Z   4
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  0.503  0.481  0.797  1.0
  Ca  Ca1  1  0.003  0.519  0.703  1.0
  Ca  Ca2  1  0.497  0.519  0.203  1.0
  Ca  Ca3  1  0.997  0.481  0.297  1.0
  Ca  Ca4  1  0.159  0.204  0.069  1.0
  Ca  Ca5  1  0.659  0.796  0.431  1.0
  Ca  Ca6  1  0.841  0.796  0.931  1.0
  Ca  Ca7  1  0.341  0.204  0.569  1.0
  Si  Si8  1  0.719  0.150  0.082  1.0
  Si  Si9  1  0.219  0.850  0.418  1.0
  Si  Si10  1  0.281  0.850  0.918  1.0
  Si  Si11  1  0.781  0.150  0.582  1.0
  O  O12  1  0.831  0.221  0.928  1.0
  O  O13  1  0.331  0.779  0.572  1.0
  O  O14  1  0.169  0.779  0.072  1.0
  O  O15  1  0.669  0.221  0.428  1.0
  O  O16  1  0.832  0.351  0.136  1.0
  O  O17  1  0.332  0.649  0.364  1.0
  O  O18  1  0.168  0.649  0.864  1.0
  O  O19  1  0.668  0.351  0.636  1.0
  O  O20  1  0.749  0.828  0.196  1.0
  O  O21  1  0.249  0.172  0.304  1.0
  O  O22  1  0.251  0.172  0.804  1.0
  O  O23  1  0.751  0.828  0.696  1.0
  O  O24  1  0.013  0.225  0.556  1.0
  O  O25  1  0.513  0.775  0.944  1.0
  O  O26  1  0.987  0.775  0.444  1.0
  O  O27  1  0.487  0.225  0.056  1.0
[/CIF]
.
The material structure described by Ca2SiO4 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. In the second Ca site, Ca(2) is bonded in a 7-coordinate geometry to one O(4), two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. Si(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to two equivalent Ca(1), two equivalent Ca(2), and one Si(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to two equivalent Ca(1), two equivalent Ca(2), and one Si(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Ca(1), two equivalent Ca(2), and one Si(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Ca(2), two equivalent Ca(1), and one Si(1) atom. is represented by the CIF card [CIF]
data_Ca2SiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.816
_cell_length_b   5.576
_cell_length_c   10.523
_cell_angle_alpha   62.691
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   355.316
_cell_formula_units_Z   4
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  0.503  0.481  0.797  1.0
  Ca  Ca1  1  0.003  0.519  0.703  1.0
  Ca  Ca2  1  0.497  0.519  0.203  1.0
  Ca  Ca3  1  0.997  0.481  0.297  1.0
  Ca  Ca4  1  0.159  0.204  0.069  1.0
  Ca  Ca5  1  0.659  0.796  0.431  1.0
  Ca  Ca6  1  0.841  0.796  0.931  1.0
  Ca  Ca7  1  0.341  0.204  0.569  1.0
  Si  Si8  1  0.719  0.150  0.082  1.0
  Si  Si9  1  0.219  0.850  0.418  1.0
  Si  Si10  1  0.281  0.850  0.918  1.0
  Si  Si11  1  0.781  0.150  0.582  1.0
  O  O12  1  0.831  0.221  0.928  1.0
  O  O13  1  0.331  0.779  0.572  1.0
  O  O14  1  0.169  0.779  0.072  1.0
  O  O15  1  0.669  0.221  0.428  1.0
  O  O16  1  0.832  0.351  0.136  1.0
  O  O17  1  0.332  0.649  0.364  1.0
  O  O18  1  0.168  0.649  0.864  1.0
  O  O19  1  0.668  0.351  0.636  1.0
  O  O20  1  0.749  0.828  0.196  1.0
  O  O21  1  0.249  0.172  0.304  1.0
  O  O22  1  0.251  0.172  0.804  1.0
  O  O23  1  0.751  0.828  0.696  1.0
  O  O24  1  0.013  0.225  0.556  1.0
  O  O25  1  0.513  0.775  0.944  1.0
  O  O26  1  0.987  0.775  0.444  1.0
  O  O27  1  0.487  0.225  0.056  1.0
[/CIF]
.