The material structure described by Ca10VP5(O12F)2 crystallizes in the monoclinic Pm space group. There are eight inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 7-coordinate geometry to one O(11), one O(9), two equivalent O(13), two equivalent O(16), and one F(1) atom. In the second Ca site, Ca(2) is bonded in a 9-coordinate geometry to one O(1), one O(13), one O(14), one O(17), one O(2), one O(5), one O(7), one O(8), and one O(9) atom. In the third Ca site, Ca(3) is bonded in a 9-coordinate geometry to one O(10), one O(11), one O(12), one O(15), one O(16), one O(18), one O(3), one O(4), and one O(6) atom. In the fourth Ca site, Ca(4) is bonded in a 7-coordinate geometry to one O(1), one O(4), two equivalent O(5), two equivalent O(6), and one F(1) atom. In the fifth Ca site, Ca(5) is bonded to one O(15), one O(17), two equivalent O(13), two equivalent O(18), and one F(2) atom to form distorted CaO6F pentagonal bipyramids that share  a cornercorner with one Ca(7)O6F pentagonal bipyramid,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and  an edgeedge with one V(1)O4 tetrahedra. In the sixth Ca site, Ca(6) is bonded in a 7-coordinate geometry to one O(10), one O(7), two equivalent O(16), two equivalent O(5), and one F(2) atom. In the seventh Ca site, Ca(7) is bonded to one O(12), one O(2), two equivalent O(6), two equivalent O(8), and one F(2) atom to form distorted CaO6F pentagonal bipyramids that share  a cornercorner with one Ca(5)O6F pentagonal bipyramid,  a cornercorner with one V(1)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and  an edgeedge with one P(3)O4 tetrahedra. In the eighth Ca site, Ca(8) is bonded in a 7-coordinate geometry to one O(14), one O(3), two equivalent O(18), two equivalent O(8), and one F(1) atom. V(1) is bonded to one O(10), one O(2), and two equivalent O(18) atoms to form VO4 tetrahedra that share  a cornercorner with one Ca(7)O6F pentagonal bipyramid and  an edgeedge with one Ca(5)O6F pentagonal bipyramid. There are five inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(3), and two equivalent O(13) atoms to form PO4 tetrahedra that share corners with two equivalent Ca(5)O6F pentagonal bipyramids. In the second P site, P(2) is bonded to one O(4), one O(9), and two equivalent O(8) atoms to form PO4 tetrahedra that share corners with two equivalent Ca(7)O6F pentagonal bipyramids. In the third P site, P(3) is bonded to one O(15), one O(7), and two equivalent O(6) atoms to form PO4 tetrahedra that share  a cornercorner with one Ca(5)O6F pentagonal bipyramid and  an edgeedge with one Ca(7)O6F pentagonal bipyramid. In the fourth P site, P(4) is bonded to one O(12), one O(17), and two equivalent O(16) atoms to form PO4 tetrahedra that share  a cornercorner with one Ca(5)O6F pentagonal bipyramid and  a cornercorner with one Ca(7)O6F pentagonal bipyramid. In the fifth P site, P(5) is bonded in a tetrahedral geometry to one O(11), one O(14), and two equivalent O(5) atoms. There are eighteen inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Ca(4), two equivalent Ca(2), and one P(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Ca(7), two equivalent Ca(2), and one V(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Ca(8), two equivalent Ca(3), and one P(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Ca(4), two equivalent Ca(3), and one P(2) atom. In the fifth O site, O(5) is bonded in a 1-coordinate geometry to one Ca(2), one Ca(4), one Ca(6), and one P(5) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Ca(3), one Ca(4), one Ca(7), and one P(3) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Ca(6), two equivalent Ca(2), and one P(3) atom. In the eighth O site, O(8) is bonded in a 1-coordinate geometry to one Ca(2), one Ca(7), one Ca(8), and one P(2) atom. In the ninth O site, O(9) is bonded in a distorted tetrahedral geometry to one Ca(1), two equivalent Ca(2), and one P(2) atom. In the tenth O site, O(10) is bonded in a distorted tetrahedral geometry to one Ca(6), two equivalent Ca(3), and one V(1) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Ca(1), two equivalent Ca(3), and one P(5) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Ca(7), two equivalent Ca(3), and one P(4) atom. In the thirteenth O site, O(13) is bonded in a 4-coordinate geometry to one Ca(1), one Ca(2), one Ca(5), and one P(1) atom. In the fourteenth O site, O(14) is bonded in a 4-coordinate geometry to one Ca(8), two equivalent Ca(2), and one P(5) atom. In the fifteenth O site, O(15) is bonded in a 4-coordinate geometry to one Ca(5), two equivalent Ca(3), and one P(3) atom. In the sixteenth O site, O(16) is bonded in a 1-coordinate geometry to one Ca(1), one Ca(3), one Ca(6), and one P(4) atom. In the seventeenth O site, O(17) is bonded in a 4-coordinate geometry to one Ca(5), two equivalent Ca(2), and one P(4) atom. In the eighteenth O site, O(18) is bonded in a 4-coordinate geometry to one Ca(3), one Ca(5), one Ca(8), and one V(1) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to one Ca(1), one Ca(4), and one Ca(8) atom. In the second F site, F(2) is bonded in a trigonal planar geometry to one Ca(5), one Ca(6), and one Ca(7) atom. is represented by the CIF card [CIF]
data_Ca10VP5(O12F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.979
_cell_length_b   9.505
_cell_length_c   9.517
_cell_angle_alpha   60.289
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   548.339
_cell_formula_units_Z   1
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  0.500  0.009  0.488  1.0
  Ca  Ca1  1  0.750  0.673  0.905  1.0
  Ca  Ca2  1  0.250  0.673  0.905  1.0
  Ca  Ca3  1  0.748  0.334  0.582  1.0
  Ca  Ca4  1  0.252  0.334  0.582  1.0
  Ca  Ca5  1  0.500  0.248  0.997  1.0
  Ca  Ca6  1  0.000  0.765  0.497  1.0
  Ca  Ca7  1  0.000  0.248  0.238  1.0
  Ca  Ca8  1  0.000  0.002  0.998  1.0
  Ca  Ca9  1  0.500  0.764  0.246  1.0
  V  V10  1  0.000  0.608  0.274  1.0
  P  P11  1  0.500  0.634  0.646  1.0
  P  P12  1  0.500  0.975  0.877  1.0
  P  P13  1  0.000  0.373  0.846  1.0
  P  P14  1  0.000  0.032  0.610  1.0
  P  P15  1  0.500  0.403  0.215  1.0
  O  O16  1  0.500  0.535  0.835  1.0
  O  O17  1  0.000  0.696  0.064  1.0
  O  O18  1  0.500  0.518  0.575  1.0
  O  O19  1  0.500  0.162  0.762  1.0
  O  O20  1  0.680  0.347  0.159  1.0
  O  O21  1  0.320  0.347  0.159  1.0
  O  O22  1  0.821  0.261  0.902  1.0
  O  O23  1  0.179  0.261  0.902  1.0
  O  O24  1  0.000  0.487  0.919  1.0
  O  O25  1  0.679  0.921  0.989  1.0
  O  O26  1  0.321  0.921  0.989  1.0
  O  O27  1  0.500  0.884  0.778  1.0
  O  O28  1  0.000  0.396  0.379  1.0
  O  O29  1  0.500  0.331  0.402  1.0
  O  O30  1  0.000  0.121  0.712  1.0
  O  O31  1  0.679  0.746  0.592  1.0
  O  O32  1  0.321  0.746  0.592  1.0
  O  O33  1  0.500  0.593  0.125  1.0
  O  O34  1  0.000  0.471  0.657  1.0
  O  O35  1  0.820  0.087  0.499  1.0
  O  O36  1  0.180  0.087  0.499  1.0
  O  O37  1  0.000  0.845  0.721  1.0
  O  O38  1  0.806  0.669  0.342  1.0
  O  O39  1  0.194  0.669  0.342  1.0
  F  F40  1  0.500  0.008  0.245  1.0
  F  F41  1  0.000  0.002  0.243  1.0
[/CIF]
.
The material structure described by Ca10VP5(O12F)2 crystallizes in the monoclinic Pm space group. There are eight inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 7-coordinate geometry to one O(11), one O(9), two equivalent O(13), two equivalent O(16), and one F(1) atom. In the second Ca site, Ca(2) is bonded in a 9-coordinate geometry to one O(1), one O(13), one O(14), one O(17), one O(2), one O(5), one O(7), one O(8), and one O(9) atom. In the third Ca site, Ca(3) is bonded in a 9-coordinate geometry to one O(10), one O(11), one O(12), one O(15), one O(16), one O(18), one O(3), one O(4), and one O(6) atom. In the fourth Ca site, Ca(4) is bonded in a 7-coordinate geometry to one O(1), one O(4), two equivalent O(5), two equivalent O(6), and one F(1) atom. In the fifth Ca site, Ca(5) is bonded to one O(15), one O(17), two equivalent O(13), two equivalent O(18), and one F(2) atom to form distorted CaO6F pentagonal bipyramids that share  a cornercorner with one Ca(7)O6F pentagonal bipyramid,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and  an edgeedge with one V(1)O4 tetrahedra. In the sixth Ca site, Ca(6) is bonded in a 7-coordinate geometry to one O(10), one O(7), two equivalent O(16), two equivalent O(5), and one F(2) atom. In the seventh Ca site, Ca(7) is bonded to one O(12), one O(2), two equivalent O(6), two equivalent O(8), and one F(2) atom to form distorted CaO6F pentagonal bipyramids that share  a cornercorner with one Ca(5)O6F pentagonal bipyramid,  a cornercorner with one V(1)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and  an edgeedge with one P(3)O4 tetrahedra. In the eighth Ca site, Ca(8) is bonded in a 7-coordinate geometry to one O(14), one O(3), two equivalent O(18), two equivalent O(8), and one F(1) atom. V(1) is bonded to one O(10), one O(2), and two equivalent O(18) atoms to form VO4 tetrahedra that share  a cornercorner with one Ca(7)O6F pentagonal bipyramid and  an edgeedge with one Ca(5)O6F pentagonal bipyramid. There are five inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(3), and two equivalent O(13) atoms to form PO4 tetrahedra that share corners with two equivalent Ca(5)O6F pentagonal bipyramids. In the second P site, P(2) is bonded to one O(4), one O(9), and two equivalent O(8) atoms to form PO4 tetrahedra that share corners with two equivalent Ca(7)O6F pentagonal bipyramids. In the third P site, P(3) is bonded to one O(15), one O(7), and two equivalent O(6) atoms to form PO4 tetrahedra that share  a cornercorner with one Ca(5)O6F pentagonal bipyramid and  an edgeedge with one Ca(7)O6F pentagonal bipyramid. In the fourth P site, P(4) is bonded to one O(12), one O(17), and two equivalent O(16) atoms to form PO4 tetrahedra that share  a cornercorner with one Ca(5)O6F pentagonal bipyramid and  a cornercorner with one Ca(7)O6F pentagonal bipyramid. In the fifth P site, P(5) is bonded in a tetrahedral geometry to one O(11), one O(14), and two equivalent O(5) atoms. There are eighteen inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Ca(4), two equivalent Ca(2), and one P(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Ca(7), two equivalent Ca(2), and one V(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Ca(8), two equivalent Ca(3), and one P(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Ca(4), two equivalent Ca(3), and one P(2) atom. In the fifth O site, O(5) is bonded in a 1-coordinate geometry to one Ca(2), one Ca(4), one Ca(6), and one P(5) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Ca(3), one Ca(4), one Ca(7), and one P(3) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Ca(6), two equivalent Ca(2), and one P(3) atom. In the eighth O site, O(8) is bonded in a 1-coordinate geometry to one Ca(2), one Ca(7), one Ca(8), and one P(2) atom. In the ninth O site, O(9) is bonded in a distorted tetrahedral geometry to one Ca(1), two equivalent Ca(2), and one P(2) atom. In the tenth O site, O(10) is bonded in a distorted tetrahedral geometry to one Ca(6), two equivalent Ca(3), and one V(1) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Ca(1), two equivalent Ca(3), and one P(5) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Ca(7), two equivalent Ca(3), and one P(4) atom. In the thirteenth O site, O(13) is bonded in a 4-coordinate geometry to one Ca(1), one Ca(2), one Ca(5), and one P(1) atom. In the fourteenth O site, O(14) is bonded in a 4-coordinate geometry to one Ca(8), two equivalent Ca(2), and one P(5) atom. In the fifteenth O site, O(15) is bonded in a 4-coordinate geometry to one Ca(5), two equivalent Ca(3), and one P(3) atom. In the sixteenth O site, O(16) is bonded in a 1-coordinate geometry to one Ca(1), one Ca(3), one Ca(6), and one P(4) atom. In the seventeenth O site, O(17) is bonded in a 4-coordinate geometry to one Ca(5), two equivalent Ca(2), and one P(4) atom. In the eighteenth O site, O(18) is bonded in a 4-coordinate geometry to one Ca(3), one Ca(5), one Ca(8), and one V(1) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to one Ca(1), one Ca(4), and one Ca(8) atom. In the second F site, F(2) is bonded in a trigonal planar geometry to one Ca(5), one Ca(6), and one Ca(7) atom. is represented by the CIF card [CIF]
data_Ca10VP5(O12F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.979
_cell_length_b   9.505
_cell_length_c   9.517
_cell_angle_alpha   60.289
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   548.339
_cell_formula_units_Z   1
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  0.500  0.009  0.488  1.0
  Ca  Ca1  1  0.750  0.673  0.905  1.0
  Ca  Ca2  1  0.250  0.673  0.905  1.0
  Ca  Ca3  1  0.748  0.334  0.582  1.0
  Ca  Ca4  1  0.252  0.334  0.582  1.0
  Ca  Ca5  1  0.500  0.248  0.997  1.0
  Ca  Ca6  1  0.000  0.765  0.497  1.0
  Ca  Ca7  1  0.000  0.248  0.238  1.0
  Ca  Ca8  1  0.000  0.002  0.998  1.0
  Ca  Ca9  1  0.500  0.764  0.246  1.0
  V  V10  1  0.000  0.608  0.274  1.0
  P  P11  1  0.500  0.634  0.646  1.0
  P  P12  1  0.500  0.975  0.877  1.0
  P  P13  1  0.000  0.373  0.846  1.0
  P  P14  1  0.000  0.032  0.610  1.0
  P  P15  1  0.500  0.403  0.215  1.0
  O  O16  1  0.500  0.535  0.835  1.0
  O  O17  1  0.000  0.696  0.064  1.0
  O  O18  1  0.500  0.518  0.575  1.0
  O  O19  1  0.500  0.162  0.762  1.0
  O  O20  1  0.680  0.347  0.159  1.0
  O  O21  1  0.320  0.347  0.159  1.0
  O  O22  1  0.821  0.261  0.902  1.0
  O  O23  1  0.179  0.261  0.902  1.0
  O  O24  1  0.000  0.487  0.919  1.0
  O  O25  1  0.679  0.921  0.989  1.0
  O  O26  1  0.321  0.921  0.989  1.0
  O  O27  1  0.500  0.884  0.778  1.0
  O  O28  1  0.000  0.396  0.379  1.0
  O  O29  1  0.500  0.331  0.402  1.0
  O  O30  1  0.000  0.121  0.712  1.0
  O  O31  1  0.679  0.746  0.592  1.0
  O  O32  1  0.321  0.746  0.592  1.0
  O  O33  1  0.500  0.593  0.125  1.0
  O  O34  1  0.000  0.471  0.657  1.0
  O  O35  1  0.820  0.087  0.499  1.0
  O  O36  1  0.180  0.087  0.499  1.0
  O  O37  1  0.000  0.845  0.721  1.0
  O  O38  1  0.806  0.669  0.342  1.0
  O  O39  1  0.194  0.669  0.342  1.0
  F  F40  1  0.500  0.008  0.245  1.0
  F  F41  1  0.000  0.002  0.243  1.0
[/CIF]
.