The material described by SrCa4P3O12F crystallizes in the hexagonal P6_3 space group. Sr(1) is bonded in a 9-coordinate geometry to three equivalent O(1), three equivalent O(2), and three equivalent O(3) atoms. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 9-coordinate geometry to three equivalent O(1), three equivalent O(3), and three equivalent O(4) atoms. 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 one F(1) atom to form distorted CaO6F pentagonal bipyramids that share corners with six equivalent Ca(2)O6F pentagonal bipyramids, corners with four equivalent P(1)O4 tetrahedra, and  an edgeedge with one P(1)O4 tetrahedra. P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with four equivalent Ca(2)O6F pentagonal bipyramids and  an edgeedge with one Ca(2)O6F pentagonal bipyramid. There are four inequivalent O sites. In the first O site, O(4) is bonded in a 1-coordinate geometry to one Ca(1), two equivalent Ca(2), and one P(1) atom. In the second O site, O(1) is bonded in a 4-coordinate geometry to one Sr(1), one Ca(1), one Ca(2), and one P(1) atom. In the third O site, O(2) is bonded in a 4-coordinate geometry to one Sr(1), two equivalent Ca(2), and one P(1) atom. In the fourth O site, O(3) is bonded in a 4-coordinate geometry to one Sr(1), one Ca(1), one Ca(2), and one P(1) atom. F(1) is bonded in a trigonal planar geometry to three equivalent Ca(2) atoms. is represented by the CIF file [CIF]
data_SrCa4P3O12F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.543
_cell_length_b   9.543
_cell_length_c   7.024
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   553.970
_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  0.667  0.333  0.713  1.0
  Sr  Sr1  1  0.333  0.667  0.213  1.0
  Ca  Ca2  1  0.667  0.333  0.212  1.0
  Ca  Ca3  1  0.333  0.667  0.712  1.0
  Ca  Ca4  1  0.755  0.001  0.961  1.0
  Ca  Ca5  1  0.246  0.245  0.961  1.0
  Ca  Ca6  1  0.245  0.999  0.461  1.0
  Ca  Ca7  1  0.999  0.754  0.961  1.0
  Ca  Ca8  1  0.754  0.755  0.461  1.0
  Ca  Ca9  1  0.001  0.246  0.461  1.0
  P  P10  1  0.605  0.633  0.963  1.0
  P  P11  1  0.028  0.395  0.963  1.0
  P  P12  1  0.395  0.367  0.463  1.0
  P  P13  1  0.367  0.972  0.963  1.0
  P  P14  1  0.972  0.605  0.463  1.0
  P  P15  1  0.633  0.028  0.463  1.0
  O  O16  1  0.842  0.318  0.973  1.0
  O  O17  1  0.476  0.158  0.973  1.0
  O  O18  1  0.158  0.682  0.473  1.0
  O  O19  1  0.682  0.524  0.973  1.0
  O  O20  1  0.524  0.842  0.473  1.0
  O  O21  1  0.318  0.476  0.473  1.0
  O  O22  1  0.744  0.091  0.642  1.0
  O  O23  1  0.347  0.256  0.642  1.0
  O  O24  1  0.256  0.909  0.142  1.0
  O  O25  1  0.909  0.653  0.642  1.0
  O  O26  1  0.653  0.744  0.142  1.0
  O  O27  1  0.091  0.347  0.142  1.0
  O  O28  1  0.417  0.531  0.952  1.0
  O  O29  1  0.114  0.583  0.952  1.0
  O  O30  1  0.583  0.469  0.452  1.0
  O  O31  1  0.469  0.886  0.952  1.0
  O  O32  1  0.886  0.417  0.452  1.0
  O  O33  1  0.531  0.114  0.452  1.0
  O  O34  1  0.665  0.745  0.786  1.0
  O  O35  1  0.080  0.335  0.786  1.0
  O  O36  1  0.335  0.255  0.286  1.0
  O  O37  1  0.255  0.920  0.786  1.0
  O  O38  1  0.920  0.665  0.286  1.0
  O  O39  1  0.745  0.080  0.286  1.0
  F  F40  1  0.000  0.000  0.967  1.0
  F  F41  1  0.000  0.000  0.467  1.0
[/CIF]
.
The material described by SrCa4P3O12F crystallizes in the hexagonal P6_3 space group. Sr(1) is bonded in a 9-coordinate geometry to three equivalent O(1), three equivalent O(2), and three equivalent O(3) atoms. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 9-coordinate geometry to three equivalent O(1), three equivalent O(3), and three equivalent O(4) atoms. 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 one F(1) atom to form distorted CaO6F pentagonal bipyramids that share corners with six equivalent Ca(2)O6F pentagonal bipyramids, corners with four equivalent P(1)O4 tetrahedra, and  an edgeedge with one P(1)O4 tetrahedra. P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with four equivalent Ca(2)O6F pentagonal bipyramids and  an edgeedge with one Ca(2)O6F pentagonal bipyramid. There are four inequivalent O sites. In the first O site, O(4) is bonded in a 1-coordinate geometry to one Ca(1), two equivalent Ca(2), and one P(1) atom. In the second O site, O(1) is bonded in a 4-coordinate geometry to one Sr(1), one Ca(1), one Ca(2), and one P(1) atom. In the third O site, O(2) is bonded in a 4-coordinate geometry to one Sr(1), two equivalent Ca(2), and one P(1) atom. In the fourth O site, O(3) is bonded in a 4-coordinate geometry to one Sr(1), one Ca(1), one Ca(2), and one P(1) atom. F(1) is bonded in a trigonal planar geometry to three equivalent Ca(2) atoms. is represented by the CIF file [CIF]
data_SrCa4P3O12F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.543
_cell_length_b   9.543
_cell_length_c   7.024
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   553.970
_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  0.667  0.333  0.713  1.0
  Sr  Sr1  1  0.333  0.667  0.213  1.0
  Ca  Ca2  1  0.667  0.333  0.212  1.0
  Ca  Ca3  1  0.333  0.667  0.712  1.0
  Ca  Ca4  1  0.755  0.001  0.961  1.0
  Ca  Ca5  1  0.246  0.245  0.961  1.0
  Ca  Ca6  1  0.245  0.999  0.461  1.0
  Ca  Ca7  1  0.999  0.754  0.961  1.0
  Ca  Ca8  1  0.754  0.755  0.461  1.0
  Ca  Ca9  1  0.001  0.246  0.461  1.0
  P  P10  1  0.605  0.633  0.963  1.0
  P  P11  1  0.028  0.395  0.963  1.0
  P  P12  1  0.395  0.367  0.463  1.0
  P  P13  1  0.367  0.972  0.963  1.0
  P  P14  1  0.972  0.605  0.463  1.0
  P  P15  1  0.633  0.028  0.463  1.0
  O  O16  1  0.842  0.318  0.973  1.0
  O  O17  1  0.476  0.158  0.973  1.0
  O  O18  1  0.158  0.682  0.473  1.0
  O  O19  1  0.682  0.524  0.973  1.0
  O  O20  1  0.524  0.842  0.473  1.0
  O  O21  1  0.318  0.476  0.473  1.0
  O  O22  1  0.744  0.091  0.642  1.0
  O  O23  1  0.347  0.256  0.642  1.0
  O  O24  1  0.256  0.909  0.142  1.0
  O  O25  1  0.909  0.653  0.642  1.0
  O  O26  1  0.653  0.744  0.142  1.0
  O  O27  1  0.091  0.347  0.142  1.0
  O  O28  1  0.417  0.531  0.952  1.0
  O  O29  1  0.114  0.583  0.952  1.0
  O  O30  1  0.583  0.469  0.452  1.0
  O  O31  1  0.469  0.886  0.952  1.0
  O  O32  1  0.886  0.417  0.452  1.0
  O  O33  1  0.531  0.114  0.452  1.0
  O  O34  1  0.665  0.745  0.786  1.0
  O  O35  1  0.080  0.335  0.786  1.0
  O  O36  1  0.335  0.255  0.286  1.0
  O  O37  1  0.255  0.920  0.786  1.0
  O  O38  1  0.920  0.665  0.286  1.0
  O  O39  1  0.745  0.080  0.286  1.0
  F  F40  1  0.000  0.000  0.967  1.0
  F  F41  1  0.000  0.000  0.467  1.0
[/CIF]
.