The material described by Ca2NaSiO4F crystallizes in the triclinic P1 space group. There are four inequivalent Na sites. In the first Na site, Na(1) is bonded in a 6-coordinate geometry to one O(11), one O(13), one O(15), one O(16), one F(2), and one F(4) atom. In the second Na site, Na(2) is bonded in a 8-coordinate geometry to one O(1), one O(10), one O(13), one O(16), one O(2), one O(8), one F(1), and one F(3) atom. In the third Na site, Na(3) is bonded in a 4-coordinate geometry to one O(12), one O(15), one O(4), one O(7), and one O(9) atom. In the fourth Na site, Na(4) is bonded to one O(14), one O(2), one O(3), one O(8), and one F(1) atom to form distorted NaO4F square pyramids that share  a cornercorner with one Si(1)O3F tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra,  a cornercorner with one Si(4)O5 trigonal bipyramid,  an edgeedge with one Ca(5)O5F octahedra, and  an edgeedge with one Si(2)O4 tetrahedra. There are eight inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 5-coordinate geometry to one O(15), one O(4), one O(6), one O(8), and one F(4) atom. In the second Ca site, Ca(2) is bonded in a 5-coordinate geometry to one O(1), one O(12), one O(4), one O(9), and one F(2) atom. In the third Ca site, Ca(3) is bonded in a 4-coordinate geometry to one O(10), one O(12), one O(14), one O(3), and one O(5) atom. In the fourth Ca site, Ca(4) is bonded in a 6-coordinate geometry to one O(1), one O(3), one O(5), one O(6), one F(2), and one F(4) atom. In the fifth Ca site, Ca(5) is bonded to one O(10), one O(11), one O(12), one O(14), one O(16), and one F(1) atom to form distorted CaO5F octahedra that share corners with two equivalent Si(3)O4 tetrahedra, corners with two equivalent Si(4)O5 trigonal bipyramids, and  an edgeedge with one Na(4)O4F square pyramid. In the sixth Ca site, Ca(6) is bonded in a 5-coordinate geometry to one O(10), one O(13), one O(16), one O(5), and one F(3) atom. In the seventh Ca site, Ca(7) is bonded in a 5-coordinate geometry to one O(1), one O(11), one O(4), one O(6), and one F(1) atom. In the eighth Ca site, Ca(8) is bonded in a 6-coordinate geometry to one O(14), one O(15), one O(2), one O(5), one O(9), and one F(4) atom. There are four inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(6), one O(7), one O(8), and one F(3) atom to form SiO3F tetrahedra that share  a cornercorner with one Na(4)O4F square pyramid and  a cornercorner with one Si(3)O4 tetrahedra. In the second Si site, Si(2) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form SiO4 tetrahedra that share  a cornercorner with one Si(4)O5 trigonal bipyramid and  an edgeedge with one Na(4)O4F square pyramid. In the third Si site, Si(3) is bonded to one O(14), one O(15), one O(16), and one O(7) atom to form SiO4 tetrahedra that share corners with two equivalent Ca(5)O5F octahedra,  a cornercorner with one Na(4)O4F square pyramid, and  a cornercorner with one Si(1)O3F tetrahedra. The corner-sharing octahedral tilt angles range from 23-72°. In the fourth Si site, Si(4) is bonded to one O(10), one O(11), one O(13), one O(2), and one O(9) atom to form SiO5 trigonal bipyramids that share corners with two equivalent Ca(5)O5F octahedra,  a cornercorner with one Na(4)O4F square pyramid, and  a cornercorner with one Si(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 35-43°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Na(2), one Ca(2), one Ca(4), one Ca(7), and one Si(2) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Na(2), one Na(4), one Ca(8), one Si(2), and one Si(4) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Na(4), one Ca(3), one Ca(4), and one Si(2) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Na(3), one Ca(1), one Ca(2), one Ca(7), and one Si(2) atom. In the fifth O site, O(5) is bonded in a distorted tetrahedral geometry to one Ca(3), one Ca(4), one Ca(6), and one Ca(8) atom. In the sixth O site, O(6) is bonded in a 1-coordinate geometry to one Ca(1), one Ca(4), one Ca(7), and one Si(1) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Na(3), one Si(1), and one Si(3) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Na(2), one Na(4), one Ca(1), and one Si(1) atom. In the ninth O site, O(9) is bonded in a distorted rectangular see-saw-like geometry to one Na(3), one Ca(2), one Ca(8), and one Si(4) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Na(2), one Ca(3), one Ca(5), one Ca(6), and one Si(4) atom. In the eleventh O site, O(11) is bonded to one Na(1), one Ca(5), one Ca(7), and one Si(4) atom to form ONaCa2Si trigonal pyramids that share  an edgeedge with one F(1)Na2Ca2 trigonal pyramid. In the twelfth O site, O(12) is bonded in a distorted see-saw-like geometry to one Na(3), one Ca(2), one Ca(3), and one Ca(5) atom. In the thirteenth O site, O(13) is bonded in a 4-coordinate geometry to one Na(1), one Na(2), one Ca(6), and one Si(4) atom. In the fourteenth O site, O(14) is bonded in a 5-coordinate geometry to one Na(4), one Ca(3), one Ca(5), one Ca(8), and one Si(3) atom. In the fifteenth O site, O(15) is bonded in a 5-coordinate geometry to one Na(1), one Na(3), one Ca(1), one Ca(8), and one Si(3) atom. In the sixteenth O site, O(16) is bonded in a 5-coordinate geometry to one Na(1), one Na(2), one Ca(5), one Ca(6), and one Si(3) atom. There are four inequivalent F sites. In the first F site, F(1) is bonded to one Na(2), one Na(4), one Ca(5), and one Ca(7) atom to form FNa2Ca2 trigonal pyramids that share  an edgeedge with one O(11)NaCa2Si trigonal pyramid. In the second F site, F(2) is bonded in a 3-coordinate geometry to one Na(1), one Ca(2), and one Ca(4) atom. In the third F site, F(3) is bonded in a 1-coordinate geometry to one Na(2), one Ca(6), and one Si(1) atom. In the fourth F site, F(4) is bonded in a 3-coordinate geometry to one Na(1), one Ca(1), one Ca(4), and one Ca(8) atom. is represented by the CIF file [CIF]
data_NaCa2SiO4F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.642
_cell_length_b   7.842
_cell_length_c   8.098
_cell_angle_alpha   87.874
_cell_angle_beta   87.303
_cell_angle_gamma   86.816
_symmetry_Int_Tables_number   1
_cell_volume   483.688
_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
  Na  Na0  1  0.564  0.480  0.216  1.0
  Na  Na1  1  0.463  0.006  0.996  1.0
  Na  Na2  1  0.925  0.519  0.485  1.0
  Na  Na3  1  0.991  0.988  0.943  1.0
  Ca  Ca4  1  0.896  0.593  0.942  1.0
  Ca  Ca5  1  0.278  0.466  0.523  1.0
  Ca  Ca6  1  0.032  0.983  0.513  1.0
  Ca  Ca7  1  0.694  0.266  0.704  1.0
  Ca  Ca8  1  0.218  0.768  0.228  1.0
  Ca  Ca9  1  0.503  0.041  0.400  1.0
  Ca  Ca10  1  0.372  0.571  0.880  1.0
  Ca  Ca11  1  0.877  0.221  0.231  1.0
  Si  Si12  1  0.684  0.773  0.677  1.0
  Si  Si13  1  0.177  0.272  0.826  1.0
  Si  Si14  1  0.756  0.769  0.270  1.0
  Si  Si15  1  0.262  0.266  0.198  1.0
  O  O16  1  0.389  0.270  0.774  1.0
  O  O17  1  0.148  0.218  0.025  1.0
  O  O18  1  0.059  0.154  0.723  1.0
  O  O19  1  0.114  0.475  0.785  1.0
  O  O20  1  0.768  0.137  0.475  1.0
  O  O21  1  0.660  0.583  0.757  1.0
  O  O22  1  0.750  0.772  0.483  1.0
  O  O23  1  0.794  0.875  0.800  1.0
  O  O24  1  0.118  0.334  0.351  1.0
  O  O25  1  0.233  0.049  0.286  1.0
  O  O26  1  0.292  0.488  0.128  1.0
  O  O27  1  0.158  0.717  0.489  1.0
  O  O28  1  0.482  0.220  0.184  1.0
  O  O29  1  0.893  0.909  0.200  1.0
  O  O30  1  0.831  0.578  0.218  1.0
  O  O31  1  0.553  0.806  0.220  1.0
  F  F32  1  0.232  0.815  0.945  1.0
  F  F33  1  0.560  0.425  0.484  1.0
  F  F34  1  0.484  0.872  0.673  1.0
  F  F35  1  0.787  0.324  0.970  1.0
[/CIF]
.
The material described by Ca2NaSiO4F crystallizes in the triclinic P1 space group. There are four inequivalent Na sites. In the first Na site, Na(1) is bonded in a 6-coordinate geometry to one O(11), one O(13), one O(15), one O(16), one F(2), and one F(4) atom. In the second Na site, Na(2) is bonded in a 8-coordinate geometry to one O(1), one O(10), one O(13), one O(16), one O(2), one O(8), one F(1), and one F(3) atom. In the third Na site, Na(3) is bonded in a 4-coordinate geometry to one O(12), one O(15), one O(4), one O(7), and one O(9) atom. In the fourth Na site, Na(4) is bonded to one O(14), one O(2), one O(3), one O(8), and one F(1) atom to form distorted NaO4F square pyramids that share  a cornercorner with one Si(1)O3F tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra,  a cornercorner with one Si(4)O5 trigonal bipyramid,  an edgeedge with one Ca(5)O5F octahedra, and  an edgeedge with one Si(2)O4 tetrahedra. There are eight inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 5-coordinate geometry to one O(15), one O(4), one O(6), one O(8), and one F(4) atom. In the second Ca site, Ca(2) is bonded in a 5-coordinate geometry to one O(1), one O(12), one O(4), one O(9), and one F(2) atom. In the third Ca site, Ca(3) is bonded in a 4-coordinate geometry to one O(10), one O(12), one O(14), one O(3), and one O(5) atom. In the fourth Ca site, Ca(4) is bonded in a 6-coordinate geometry to one O(1), one O(3), one O(5), one O(6), one F(2), and one F(4) atom. In the fifth Ca site, Ca(5) is bonded to one O(10), one O(11), one O(12), one O(14), one O(16), and one F(1) atom to form distorted CaO5F octahedra that share corners with two equivalent Si(3)O4 tetrahedra, corners with two equivalent Si(4)O5 trigonal bipyramids, and  an edgeedge with one Na(4)O4F square pyramid. In the sixth Ca site, Ca(6) is bonded in a 5-coordinate geometry to one O(10), one O(13), one O(16), one O(5), and one F(3) atom. In the seventh Ca site, Ca(7) is bonded in a 5-coordinate geometry to one O(1), one O(11), one O(4), one O(6), and one F(1) atom. In the eighth Ca site, Ca(8) is bonded in a 6-coordinate geometry to one O(14), one O(15), one O(2), one O(5), one O(9), and one F(4) atom. There are four inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(6), one O(7), one O(8), and one F(3) atom to form SiO3F tetrahedra that share  a cornercorner with one Na(4)O4F square pyramid and  a cornercorner with one Si(3)O4 tetrahedra. In the second Si site, Si(2) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form SiO4 tetrahedra that share  a cornercorner with one Si(4)O5 trigonal bipyramid and  an edgeedge with one Na(4)O4F square pyramid. In the third Si site, Si(3) is bonded to one O(14), one O(15), one O(16), and one O(7) atom to form SiO4 tetrahedra that share corners with two equivalent Ca(5)O5F octahedra,  a cornercorner with one Na(4)O4F square pyramid, and  a cornercorner with one Si(1)O3F tetrahedra. The corner-sharing octahedral tilt angles range from 23-72°. In the fourth Si site, Si(4) is bonded to one O(10), one O(11), one O(13), one O(2), and one O(9) atom to form SiO5 trigonal bipyramids that share corners with two equivalent Ca(5)O5F octahedra,  a cornercorner with one Na(4)O4F square pyramid, and  a cornercorner with one Si(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 35-43°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Na(2), one Ca(2), one Ca(4), one Ca(7), and one Si(2) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Na(2), one Na(4), one Ca(8), one Si(2), and one Si(4) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Na(4), one Ca(3), one Ca(4), and one Si(2) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Na(3), one Ca(1), one Ca(2), one Ca(7), and one Si(2) atom. In the fifth O site, O(5) is bonded in a distorted tetrahedral geometry to one Ca(3), one Ca(4), one Ca(6), and one Ca(8) atom. In the sixth O site, O(6) is bonded in a 1-coordinate geometry to one Ca(1), one Ca(4), one Ca(7), and one Si(1) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Na(3), one Si(1), and one Si(3) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Na(2), one Na(4), one Ca(1), and one Si(1) atom. In the ninth O site, O(9) is bonded in a distorted rectangular see-saw-like geometry to one Na(3), one Ca(2), one Ca(8), and one Si(4) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Na(2), one Ca(3), one Ca(5), one Ca(6), and one Si(4) atom. In the eleventh O site, O(11) is bonded to one Na(1), one Ca(5), one Ca(7), and one Si(4) atom to form ONaCa2Si trigonal pyramids that share  an edgeedge with one F(1)Na2Ca2 trigonal pyramid. In the twelfth O site, O(12) is bonded in a distorted see-saw-like geometry to one Na(3), one Ca(2), one Ca(3), and one Ca(5) atom. In the thirteenth O site, O(13) is bonded in a 4-coordinate geometry to one Na(1), one Na(2), one Ca(6), and one Si(4) atom. In the fourteenth O site, O(14) is bonded in a 5-coordinate geometry to one Na(4), one Ca(3), one Ca(5), one Ca(8), and one Si(3) atom. In the fifteenth O site, O(15) is bonded in a 5-coordinate geometry to one Na(1), one Na(3), one Ca(1), one Ca(8), and one Si(3) atom. In the sixteenth O site, O(16) is bonded in a 5-coordinate geometry to one Na(1), one Na(2), one Ca(5), one Ca(6), and one Si(3) atom. There are four inequivalent F sites. In the first F site, F(1) is bonded to one Na(2), one Na(4), one Ca(5), and one Ca(7) atom to form FNa2Ca2 trigonal pyramids that share  an edgeedge with one O(11)NaCa2Si trigonal pyramid. In the second F site, F(2) is bonded in a 3-coordinate geometry to one Na(1), one Ca(2), and one Ca(4) atom. In the third F site, F(3) is bonded in a 1-coordinate geometry to one Na(2), one Ca(6), and one Si(1) atom. In the fourth F site, F(4) is bonded in a 3-coordinate geometry to one Na(1), one Ca(1), one Ca(4), and one Ca(8) atom. is represented by the CIF file [CIF]
data_NaCa2SiO4F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.642
_cell_length_b   7.842
_cell_length_c   8.098
_cell_angle_alpha   87.874
_cell_angle_beta   87.303
_cell_angle_gamma   86.816
_symmetry_Int_Tables_number   1
_cell_volume   483.688
_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
  Na  Na0  1  0.564  0.480  0.216  1.0
  Na  Na1  1  0.463  0.006  0.996  1.0
  Na  Na2  1  0.925  0.519  0.485  1.0
  Na  Na3  1  0.991  0.988  0.943  1.0
  Ca  Ca4  1  0.896  0.593  0.942  1.0
  Ca  Ca5  1  0.278  0.466  0.523  1.0
  Ca  Ca6  1  0.032  0.983  0.513  1.0
  Ca  Ca7  1  0.694  0.266  0.704  1.0
  Ca  Ca8  1  0.218  0.768  0.228  1.0
  Ca  Ca9  1  0.503  0.041  0.400  1.0
  Ca  Ca10  1  0.372  0.571  0.880  1.0
  Ca  Ca11  1  0.877  0.221  0.231  1.0
  Si  Si12  1  0.684  0.773  0.677  1.0
  Si  Si13  1  0.177  0.272  0.826  1.0
  Si  Si14  1  0.756  0.769  0.270  1.0
  Si  Si15  1  0.262  0.266  0.198  1.0
  O  O16  1  0.389  0.270  0.774  1.0
  O  O17  1  0.148  0.218  0.025  1.0
  O  O18  1  0.059  0.154  0.723  1.0
  O  O19  1  0.114  0.475  0.785  1.0
  O  O20  1  0.768  0.137  0.475  1.0
  O  O21  1  0.660  0.583  0.757  1.0
  O  O22  1  0.750  0.772  0.483  1.0
  O  O23  1  0.794  0.875  0.800  1.0
  O  O24  1  0.118  0.334  0.351  1.0
  O  O25  1  0.233  0.049  0.286  1.0
  O  O26  1  0.292  0.488  0.128  1.0
  O  O27  1  0.158  0.717  0.489  1.0
  O  O28  1  0.482  0.220  0.184  1.0
  O  O29  1  0.893  0.909  0.200  1.0
  O  O30  1  0.831  0.578  0.218  1.0
  O  O31  1  0.553  0.806  0.220  1.0
  F  F32  1  0.232  0.815  0.945  1.0
  F  F33  1  0.560  0.425  0.484  1.0
  F  F34  1  0.484  0.872  0.673  1.0
  F  F35  1  0.787  0.324  0.970  1.0
[/CIF]
.