The compound described by Ca2SiO4F 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 one O(2), one O(4), two equivalent O(1), two equivalent O(3), and two equivalent F(1) atoms. In the second Ca site, Ca(2) is bonded in a 8-coordinate geometry to one O(1), one O(4), two equivalent O(2), two equivalent O(3), and two equivalent F(1) 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 to one Ca(2), two equivalent Ca(1), and one Si(1) atom to form distorted OCa3Si trigonal pyramids that share corners with four equivalent F(1)Ca4 tetrahedra,  an edgeedge with one F(1)Ca4 tetrahedra, and  an edgeedge with one O(1)Ca3Si trigonal pyramid. In the second 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 third O site, O(3) is bonded in a distorted single-bond 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 distorted trigonal non-coplanar geometry to one Ca(1), one Ca(2), and one Si(1) atom. F(1) is bonded to two equivalent Ca(1) and two equivalent Ca(2) atoms to form distorted FCa4 tetrahedra that share corners with two equivalent F(1)Ca4 tetrahedra, corners with four equivalent O(1)Ca3Si trigonal pyramids,  an edgeedge with one F(1)Ca4 tetrahedra, and  an edgeedge with one O(1)Ca3Si trigonal pyramid. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca2SiO4F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.726
_cell_length_b   5.960
_cell_length_c   6.657
_cell_angle_alpha   80.592
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   419.800
_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  0.085  0.736  0.061  1.0
  Ca  Ca1  1  0.585  0.264  0.439  1.0
  Ca  Ca2  1  0.915  0.264  0.939  1.0
  Ca  Ca3  1  0.415  0.736  0.561  1.0
  Ca  Ca4  1  0.690  0.809  0.169  1.0
  Ca  Ca5  1  0.190  0.191  0.331  1.0
  Ca  Ca6  1  0.310  0.191  0.831  1.0
  Ca  Ca7  1  0.810  0.809  0.669  1.0
  Si  Si8  1  0.372  0.665  0.111  1.0
  Si  Si9  1  0.872  0.335  0.389  1.0
  Si  Si10  1  0.628  0.335  0.889  1.0
  Si  Si11  1  0.128  0.665  0.611  1.0
  O  O12  1  0.493  0.599  0.256  1.0
  O  O13  1  0.993  0.401  0.244  1.0
  O  O14  1  0.507  0.401  0.744  1.0
  O  O15  1  0.007  0.599  0.756  1.0
  O  O16  1  0.278  0.461  0.075  1.0
  O  O17  1  0.778  0.539  0.425  1.0
  O  O18  1  0.722  0.539  0.925  1.0
  O  O19  1  0.222  0.461  0.575  1.0
  O  O20  1  0.288  0.860  0.210  1.0
  O  O21  1  0.788  0.140  0.290  1.0
  O  O22  1  0.712  0.140  0.790  1.0
  O  O23  1  0.212  0.860  0.710  1.0
  O  O24  1  0.417  0.826  0.895  1.0
  O  O25  1  0.917  0.174  0.605  1.0
  O  O26  1  0.583  0.174  0.105  1.0
  O  O27  1  0.083  0.826  0.395  1.0
  F  F28  1  0.887  0.872  0.009  1.0
  F  F29  1  0.387  0.128  0.491  1.0
  F  F30  1  0.113  0.128  0.991  1.0
  F  F31  1  0.613  0.872  0.509  1.0
[/CIF]
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The compound described by Ca2SiO4F 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 one O(2), one O(4), two equivalent O(1), two equivalent O(3), and two equivalent F(1) atoms. In the second Ca site, Ca(2) is bonded in a 8-coordinate geometry to one O(1), one O(4), two equivalent O(2), two equivalent O(3), and two equivalent F(1) 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 to one Ca(2), two equivalent Ca(1), and one Si(1) atom to form distorted OCa3Si trigonal pyramids that share corners with four equivalent F(1)Ca4 tetrahedra,  an edgeedge with one F(1)Ca4 tetrahedra, and  an edgeedge with one O(1)Ca3Si trigonal pyramid. In the second 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 third O site, O(3) is bonded in a distorted single-bond 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 distorted trigonal non-coplanar geometry to one Ca(1), one Ca(2), and one Si(1) atom. F(1) is bonded to two equivalent Ca(1) and two equivalent Ca(2) atoms to form distorted FCa4 tetrahedra that share corners with two equivalent F(1)Ca4 tetrahedra, corners with four equivalent O(1)Ca3Si trigonal pyramids,  an edgeedge with one F(1)Ca4 tetrahedra, and  an edgeedge with one O(1)Ca3Si trigonal pyramid. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca2SiO4F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.726
_cell_length_b   5.960
_cell_length_c   6.657
_cell_angle_alpha   80.592
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   419.800
_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  0.085  0.736  0.061  1.0
  Ca  Ca1  1  0.585  0.264  0.439  1.0
  Ca  Ca2  1  0.915  0.264  0.939  1.0
  Ca  Ca3  1  0.415  0.736  0.561  1.0
  Ca  Ca4  1  0.690  0.809  0.169  1.0
  Ca  Ca5  1  0.190  0.191  0.331  1.0
  Ca  Ca6  1  0.310  0.191  0.831  1.0
  Ca  Ca7  1  0.810  0.809  0.669  1.0
  Si  Si8  1  0.372  0.665  0.111  1.0
  Si  Si9  1  0.872  0.335  0.389  1.0
  Si  Si10  1  0.628  0.335  0.889  1.0
  Si  Si11  1  0.128  0.665  0.611  1.0
  O  O12  1  0.493  0.599  0.256  1.0
  O  O13  1  0.993  0.401  0.244  1.0
  O  O14  1  0.507  0.401  0.744  1.0
  O  O15  1  0.007  0.599  0.756  1.0
  O  O16  1  0.278  0.461  0.075  1.0
  O  O17  1  0.778  0.539  0.425  1.0
  O  O18  1  0.722  0.539  0.925  1.0
  O  O19  1  0.222  0.461  0.575  1.0
  O  O20  1  0.288  0.860  0.210  1.0
  O  O21  1  0.788  0.140  0.290  1.0
  O  O22  1  0.712  0.140  0.790  1.0
  O  O23  1  0.212  0.860  0.710  1.0
  O  O24  1  0.417  0.826  0.895  1.0
  O  O25  1  0.917  0.174  0.605  1.0
  O  O26  1  0.583  0.174  0.105  1.0
  O  O27  1  0.083  0.826  0.395  1.0
  F  F28  1  0.887  0.872  0.009  1.0
  F  F29  1  0.387  0.128  0.491  1.0
  F  F30  1  0.113  0.128  0.991  1.0
  F  F31  1  0.613  0.872  0.509  1.0
[/CIF]
.