The material described by Sr3Ca2P3O12F crystallizes in the triclinic P1 space group. There are six inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 7-coordinate geometry to one O(10), one O(15), one O(17), one O(24), one O(3), one O(5), and one F(1) atom. In the second Sr site, Sr(2) is bonded in a 7-coordinate geometry to one O(15), one O(16), one O(19), one O(3), one O(4), one O(8), and one F(2) atom. In the third Sr site, Sr(3) is bonded in a 7-coordinate geometry to one O(1), one O(13), one O(17), one O(20), one O(5), one O(9), and one F(2) atom. In the fourth Sr site, Sr(4) is bonded in a 7-coordinate geometry to one O(14), one O(18), one O(2), one O(21), one O(6), one O(7), and one F(2) atom. In the fifth Sr site, Sr(5) is bonded in a 9-coordinate geometry to one O(10), one O(11), one O(12), one O(13), one O(14), one O(15), one O(19), one O(20), and one O(21) atom. In the sixth Sr site, Sr(6) is bonded in a 9-coordinate geometry to one O(16), one O(17), one O(18), one O(22), one O(23), one O(24), one O(7), one O(8), and one O(9) atom. There are four inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 6-coordinate geometry to one O(10), one O(11), one O(12), one O(19), one O(20), and one O(21) atom. In the second Ca site, Ca(2) is bonded in a 9-coordinate geometry to one O(22), one O(23), one O(24), one O(4), one O(5), one O(6), one O(7), one O(8), and one O(9) atom. In the third Ca site, Ca(3) is bonded in a 7-coordinate geometry to one O(1), one O(11), one O(13), one O(18), one O(22), one O(6), and one F(1) atom. In the fourth Ca site, Ca(4) is bonded to one O(12), one O(14), one O(16), one O(2), one O(23), one O(4), and one F(1) atom to form distorted CaO6F pentagonal bipyramids that share  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and  an edgeedge with one P(4)O4 tetrahedra. There are six inequivalent P sites. In the first P site, P(1) is bonded in a tetrahedral geometry to one O(1), one O(13), one O(19), and one O(7) atom. In the second P site, P(2) is bonded to one O(14), one O(2), one O(20), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Ca(4)O6F pentagonal bipyramids. In the third P site, P(3) is bonded in a tetrahedral geometry to one O(15), one O(21), one O(3), and one O(9) atom. In the fourth P site, P(4) is bonded to one O(10), one O(16), one O(22), and one O(4) atom to form PO4 tetrahedra that share  an edgeedge with one Ca(4)O6F pentagonal bipyramid. In the fifth P site, P(5) is bonded to one O(11), one O(17), one O(23), and one O(5) atom to form PO4 tetrahedra that share  a cornercorner with one Ca(4)O6F pentagonal bipyramid. In the sixth P site, P(6) is bonded to one O(12), one O(18), one O(24), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Ca(4)O6F pentagonal bipyramid. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a 1-coordinate geometry to one Sr(3), one Ca(3), and one P(1) atom. In the second O site, O(2) is bonded in a 1-coordinate geometry to one Sr(4), one Ca(4), and one P(2) atom. In the third O site, O(3) is bonded in a 1-coordinate geometry to one Sr(1), one Sr(2), and one P(3) atom. In the fourth O site, O(4) is bonded in a 1-coordinate geometry to one Sr(2), one Ca(2), one Ca(4), and one P(4) atom. In the fifth O site, O(5) is bonded in a 1-coordinate geometry to one Sr(1), one Sr(3), one Ca(2), and one P(5) atom. In the sixth O site, O(6) is bonded in a 1-coordinate geometry to one Sr(4), one Ca(2), one Ca(3), and one P(6) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Sr(4), one Sr(6), one Ca(2), and one P(1) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Sr(2), one Sr(6), one Ca(2), and one P(2) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Sr(3), one Sr(6), one Ca(2), and one P(3) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Sr(1), one Sr(5), one Ca(1), and one P(4) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Sr(5), one Ca(1), one Ca(3), and one P(5) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Sr(5), one Ca(1), one Ca(4), and one P(6) atom. In the thirteenth O site, O(13) is bonded in a 1-coordinate geometry to one Sr(3), one Sr(5), one Ca(3), and one P(1) atom. In the fourteenth O site, O(14) is bonded in a 4-coordinate geometry to one Sr(4), one Sr(5), one Ca(4), and one P(2) atom. In the fifteenth O site, O(15) is bonded in a 1-coordinate geometry to one Sr(1), one Sr(2), one Sr(5), and one P(3) atom. In the sixteenth O site, O(16) is bonded in a 4-coordinate geometry to one Sr(2), one Sr(6), one Ca(4), and one P(4) atom. In the seventeenth O site, O(17) is bonded in a 4-coordinate geometry to one Sr(1), one Sr(3), one Sr(6), and one P(5) atom. In the eighteenth O site, O(18) is bonded in a 4-coordinate geometry to one Sr(4), one Sr(6), one Ca(3), and one P(6) atom. In the nineteenth O site, O(19) is bonded in a 4-coordinate geometry to one Sr(2), one Sr(5), one Ca(1), and one P(1) atom. In the twentieth O site, O(20) is bonded in a 4-coordinate geometry to one Sr(3), one Sr(5), one Ca(1), and one P(2) atom. In the twenty-first O site, O(21) is bonded in a 4-coordinate geometry to one Sr(4), one Sr(5), one Ca(1), and one P(3) atom. In the twenty-second O site, O(22) is bonded in a 4-coordinate geometry to one Sr(6), one Ca(2), one Ca(3), and one P(4) atom. In the twenty-third O site, O(23) is bonded in a 4-coordinate geometry to one Sr(6), one Ca(2), one Ca(4), and one P(5) atom. In the twenty-fourth O site, O(24) is bonded in a 4-coordinate geometry to one Sr(1), one Sr(6), one Ca(2), and one P(6) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to one Sr(1), one Ca(3), and one Ca(4) atom. In the second F site, F(2) is bonded in a trigonal planar geometry to one Sr(2), one Sr(3), and one Sr(4) atom. is represented by the CIF file [CIF]
data_Sr3Ca2P3O12F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.163
_cell_length_b   9.727
_cell_length_c   9.730
_cell_angle_alpha   119.913
_cell_angle_beta   90.064
_cell_angle_gamma   90.018
_symmetry_Int_Tables_number   1
_cell_volume   587.596
_cell_formula_units_Z   2
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
  Sr  Sr0  1  0.243  0.007  0.243  1.0
  Sr  Sr1  1  0.742  0.255  0.244  1.0
  Sr  Sr2  1  0.744  0.756  0.010  1.0
  Sr  Sr3  1  0.744  0.987  0.751  1.0
  Sr  Sr4  1  0.996  0.334  0.668  1.0
  Sr  Sr5  1  0.494  0.667  0.332  1.0
  Ca  Ca6  1  0.493  0.332  0.667  1.0
  Ca  Ca7  1  0.993  0.668  0.333  1.0
  Ca  Ca8  1  0.243  0.753  0.746  1.0
  Ca  Ca9  1  0.243  0.250  0.002  1.0
  P  P10  1  0.746  0.602  0.631  1.0
  P  P11  1  0.746  0.369  0.971  1.0
  P  P12  1  0.744  0.033  0.404  1.0
  P  P13  1  0.244  0.401  0.370  1.0
  P  P14  1  0.246  0.626  0.029  1.0
  P  P15  1  0.245  0.967  0.599  1.0
  O  O16  1  0.574  0.674  0.741  1.0
  O  O17  1  0.574  0.258  0.933  1.0
  O  O18  1  0.573  0.075  0.335  1.0
  O  O19  1  0.072  0.339  0.258  1.0
  O  O20  1  0.072  0.735  0.079  1.0
  O  O21  1  0.072  0.915  0.659  1.0
  O  O22  1  0.756  0.660  0.509  1.0
  O  O23  1  0.756  0.491  0.152  1.0
  O  O24  1  0.755  0.851  0.339  1.0
  O  O25  1  0.254  0.330  0.481  1.0
  O  O26  1  0.256  0.520  0.846  1.0
  O  O27  1  0.255  0.150  0.674  1.0
  O  O28  1  0.926  0.651  0.735  1.0
  O  O29  1  0.926  0.265  0.916  1.0
  O  O30  1  0.921  0.092  0.357  1.0
  O  O31  1  0.418  0.354  0.260  1.0
  O  O32  1  0.421  0.735  0.094  1.0
  O  O33  1  0.420  0.902  0.642  1.0
  O  O34  1  0.728  0.417  0.544  1.0
  O  O35  1  0.729  0.457  0.874  1.0
  O  O36  1  0.729  0.125  0.588  1.0
  O  O37  1  0.233  0.586  0.468  1.0
  O  O38  1  0.234  0.526  0.113  1.0
  O  O39  1  0.231  0.881  0.415  1.0
  F  F40  1  0.249  0.000  0.982  1.0
  F  F41  1  0.756  0.001  0.005  1.0
[/CIF]
.
The material described by Sr3Ca2P3O12F crystallizes in the triclinic P1 space group. There are six inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 7-coordinate geometry to one O(10), one O(15), one O(17), one O(24), one O(3), one O(5), and one F(1) atom. In the second Sr site, Sr(2) is bonded in a 7-coordinate geometry to one O(15), one O(16), one O(19), one O(3), one O(4), one O(8), and one F(2) atom. In the third Sr site, Sr(3) is bonded in a 7-coordinate geometry to one O(1), one O(13), one O(17), one O(20), one O(5), one O(9), and one F(2) atom. In the fourth Sr site, Sr(4) is bonded in a 7-coordinate geometry to one O(14), one O(18), one O(2), one O(21), one O(6), one O(7), and one F(2) atom. In the fifth Sr site, Sr(5) is bonded in a 9-coordinate geometry to one O(10), one O(11), one O(12), one O(13), one O(14), one O(15), one O(19), one O(20), and one O(21) atom. In the sixth Sr site, Sr(6) is bonded in a 9-coordinate geometry to one O(16), one O(17), one O(18), one O(22), one O(23), one O(24), one O(7), one O(8), and one O(9) atom. There are four inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 6-coordinate geometry to one O(10), one O(11), one O(12), one O(19), one O(20), and one O(21) atom. In the second Ca site, Ca(2) is bonded in a 9-coordinate geometry to one O(22), one O(23), one O(24), one O(4), one O(5), one O(6), one O(7), one O(8), and one O(9) atom. In the third Ca site, Ca(3) is bonded in a 7-coordinate geometry to one O(1), one O(11), one O(13), one O(18), one O(22), one O(6), and one F(1) atom. In the fourth Ca site, Ca(4) is bonded to one O(12), one O(14), one O(16), one O(2), one O(23), one O(4), and one F(1) atom to form distorted CaO6F pentagonal bipyramids that share  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and  an edgeedge with one P(4)O4 tetrahedra. There are six inequivalent P sites. In the first P site, P(1) is bonded in a tetrahedral geometry to one O(1), one O(13), one O(19), and one O(7) atom. In the second P site, P(2) is bonded to one O(14), one O(2), one O(20), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Ca(4)O6F pentagonal bipyramids. In the third P site, P(3) is bonded in a tetrahedral geometry to one O(15), one O(21), one O(3), and one O(9) atom. In the fourth P site, P(4) is bonded to one O(10), one O(16), one O(22), and one O(4) atom to form PO4 tetrahedra that share  an edgeedge with one Ca(4)O6F pentagonal bipyramid. In the fifth P site, P(5) is bonded to one O(11), one O(17), one O(23), and one O(5) atom to form PO4 tetrahedra that share  a cornercorner with one Ca(4)O6F pentagonal bipyramid. In the sixth P site, P(6) is bonded to one O(12), one O(18), one O(24), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Ca(4)O6F pentagonal bipyramid. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a 1-coordinate geometry to one Sr(3), one Ca(3), and one P(1) atom. In the second O site, O(2) is bonded in a 1-coordinate geometry to one Sr(4), one Ca(4), and one P(2) atom. In the third O site, O(3) is bonded in a 1-coordinate geometry to one Sr(1), one Sr(2), and one P(3) atom. In the fourth O site, O(4) is bonded in a 1-coordinate geometry to one Sr(2), one Ca(2), one Ca(4), and one P(4) atom. In the fifth O site, O(5) is bonded in a 1-coordinate geometry to one Sr(1), one Sr(3), one Ca(2), and one P(5) atom. In the sixth O site, O(6) is bonded in a 1-coordinate geometry to one Sr(4), one Ca(2), one Ca(3), and one P(6) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Sr(4), one Sr(6), one Ca(2), and one P(1) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Sr(2), one Sr(6), one Ca(2), and one P(2) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Sr(3), one Sr(6), one Ca(2), and one P(3) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Sr(1), one Sr(5), one Ca(1), and one P(4) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Sr(5), one Ca(1), one Ca(3), and one P(5) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Sr(5), one Ca(1), one Ca(4), and one P(6) atom. In the thirteenth O site, O(13) is bonded in a 1-coordinate geometry to one Sr(3), one Sr(5), one Ca(3), and one P(1) atom. In the fourteenth O site, O(14) is bonded in a 4-coordinate geometry to one Sr(4), one Sr(5), one Ca(4), and one P(2) atom. In the fifteenth O site, O(15) is bonded in a 1-coordinate geometry to one Sr(1), one Sr(2), one Sr(5), and one P(3) atom. In the sixteenth O site, O(16) is bonded in a 4-coordinate geometry to one Sr(2), one Sr(6), one Ca(4), and one P(4) atom. In the seventeenth O site, O(17) is bonded in a 4-coordinate geometry to one Sr(1), one Sr(3), one Sr(6), and one P(5) atom. In the eighteenth O site, O(18) is bonded in a 4-coordinate geometry to one Sr(4), one Sr(6), one Ca(3), and one P(6) atom. In the nineteenth O site, O(19) is bonded in a 4-coordinate geometry to one Sr(2), one Sr(5), one Ca(1), and one P(1) atom. In the twentieth O site, O(20) is bonded in a 4-coordinate geometry to one Sr(3), one Sr(5), one Ca(1), and one P(2) atom. In the twenty-first O site, O(21) is bonded in a 4-coordinate geometry to one Sr(4), one Sr(5), one Ca(1), and one P(3) atom. In the twenty-second O site, O(22) is bonded in a 4-coordinate geometry to one Sr(6), one Ca(2), one Ca(3), and one P(4) atom. In the twenty-third O site, O(23) is bonded in a 4-coordinate geometry to one Sr(6), one Ca(2), one Ca(4), and one P(5) atom. In the twenty-fourth O site, O(24) is bonded in a 4-coordinate geometry to one Sr(1), one Sr(6), one Ca(2), and one P(6) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to one Sr(1), one Ca(3), and one Ca(4) atom. In the second F site, F(2) is bonded in a trigonal planar geometry to one Sr(2), one Sr(3), and one Sr(4) atom. is represented by the CIF file [CIF]
data_Sr3Ca2P3O12F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.163
_cell_length_b   9.727
_cell_length_c   9.730
_cell_angle_alpha   119.913
_cell_angle_beta   90.064
_cell_angle_gamma   90.018
_symmetry_Int_Tables_number   1
_cell_volume   587.596
_cell_formula_units_Z   2
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
  Sr  Sr0  1  0.243  0.007  0.243  1.0
  Sr  Sr1  1  0.742  0.255  0.244  1.0
  Sr  Sr2  1  0.744  0.756  0.010  1.0
  Sr  Sr3  1  0.744  0.987  0.751  1.0
  Sr  Sr4  1  0.996  0.334  0.668  1.0
  Sr  Sr5  1  0.494  0.667  0.332  1.0
  Ca  Ca6  1  0.493  0.332  0.667  1.0
  Ca  Ca7  1  0.993  0.668  0.333  1.0
  Ca  Ca8  1  0.243  0.753  0.746  1.0
  Ca  Ca9  1  0.243  0.250  0.002  1.0
  P  P10  1  0.746  0.602  0.631  1.0
  P  P11  1  0.746  0.369  0.971  1.0
  P  P12  1  0.744  0.033  0.404  1.0
  P  P13  1  0.244  0.401  0.370  1.0
  P  P14  1  0.246  0.626  0.029  1.0
  P  P15  1  0.245  0.967  0.599  1.0
  O  O16  1  0.574  0.674  0.741  1.0
  O  O17  1  0.574  0.258  0.933  1.0
  O  O18  1  0.573  0.075  0.335  1.0
  O  O19  1  0.072  0.339  0.258  1.0
  O  O20  1  0.072  0.735  0.079  1.0
  O  O21  1  0.072  0.915  0.659  1.0
  O  O22  1  0.756  0.660  0.509  1.0
  O  O23  1  0.756  0.491  0.152  1.0
  O  O24  1  0.755  0.851  0.339  1.0
  O  O25  1  0.254  0.330  0.481  1.0
  O  O26  1  0.256  0.520  0.846  1.0
  O  O27  1  0.255  0.150  0.674  1.0
  O  O28  1  0.926  0.651  0.735  1.0
  O  O29  1  0.926  0.265  0.916  1.0
  O  O30  1  0.921  0.092  0.357  1.0
  O  O31  1  0.418  0.354  0.260  1.0
  O  O32  1  0.421  0.735  0.094  1.0
  O  O33  1  0.420  0.902  0.642  1.0
  O  O34  1  0.728  0.417  0.544  1.0
  O  O35  1  0.729  0.457  0.874  1.0
  O  O36  1  0.729  0.125  0.588  1.0
  O  O37  1  0.233  0.586  0.468  1.0
  O  O38  1  0.234  0.526  0.113  1.0
  O  O39  1  0.231  0.881  0.415  1.0
  F  F40  1  0.249  0.000  0.982  1.0
  F  F41  1  0.756  0.001  0.005  1.0
[/CIF]
.