The material described by MgV8Ge4(O2F)8 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 6-coordinate geometry to one O(11), one O(13), one O(15), one O(6), one F(2), and one F(6) atom. There are eight inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(10), one O(4), one O(5), one F(1), and one F(5) atom to form VO4F2 octahedra that share corners with two equivalent V(6)O4F2 octahedra,  a cornercorner with one Ge(1)O4 tetrahedra,  a cornercorner with one Ge(3)O4 tetrahedra, corners with two equivalent Ge(2)O4 tetrahedra,  an edgeedge with one V(2)O4F2 octahedra, and  an edgeedge with one V(5)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 34-39°. In the second V site, V(2) is bonded to one O(1), one O(11), one O(16), one O(5), one F(4), and one F(8) atom to form VO4F2 octahedra that share corners with two equivalent V(7)O4F2 octahedra,  a cornercorner with one Ge(2)O4 tetrahedra,  a cornercorner with one Ge(4)O4 tetrahedra, corners with two equivalent Ge(3)O4 tetrahedra,  an edgeedge with one V(1)O4F2 octahedra, and  an edgeedge with one V(8)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 36-40°. In the third V site, V(3) is bonded to one O(12), one O(14), one O(15), one O(3), one F(2), and one F(6) atom to form VO4F2 octahedra that share corners with two equivalent V(5)O4F2 octahedra,  a cornercorner with one Ge(1)O4 tetrahedra,  a cornercorner with one Ge(3)O4 tetrahedra, corners with two equivalent Ge(4)O4 tetrahedra,  an edgeedge with one V(4)O4F2 octahedra, and  an edgeedge with one V(6)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 36-37°. In the fourth V site, V(4) is bonded to one O(12), one O(3), one O(7), one O(8), one F(3), and one F(7) atom to form VO4F2 octahedra that share corners with two equivalent V(8)O4F2 octahedra,  a cornercorner with one Ge(2)O4 tetrahedra,  a cornercorner with one Ge(4)O4 tetrahedra, corners with two equivalent Ge(1)O4 tetrahedra,  an edgeedge with one V(3)O4F2 octahedra, and  an edgeedge with one V(7)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 41-42°. In the fifth V site, V(5) is bonded to one O(10), one O(13), one O(4), one O(6), one F(2), and one F(6) atom to form VO4F2 octahedra that share corners with two equivalent V(3)O4F2 octahedra,  a cornercorner with one Ge(1)O4 tetrahedra,  a cornercorner with one Ge(3)O4 tetrahedra, corners with two equivalent Ge(2)O4 tetrahedra,  an edgeedge with one V(1)O4F2 octahedra, and  an edgeedge with one V(8)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 36-37°. In the sixth V site, V(6) is bonded to one O(14), one O(15), one O(2), one O(9), one F(1), and one F(5) atom to form VO4F2 octahedra that share corners with two equivalent V(1)O4F2 octahedra,  a cornercorner with one Ge(1)O4 tetrahedra,  a cornercorner with one Ge(3)O4 tetrahedra, corners with two equivalent Ge(4)O4 tetrahedra,  an edgeedge with one V(3)O4F2 octahedra, and  an edgeedge with one V(7)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 34-39°. In the seventh V site, V(7) is bonded to one O(2), one O(7), one O(8), one O(9), one F(4), and one F(8) atom to form VO4F2 octahedra that share corners with two equivalent V(2)O4F2 octahedra,  a cornercorner with one Ge(2)O4 tetrahedra,  a cornercorner with one Ge(4)O4 tetrahedra, corners with two equivalent Ge(1)O4 tetrahedra,  an edgeedge with one V(4)O4F2 octahedra, and  an edgeedge with one V(6)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 36-40°. In the eighth V site, V(8) is bonded to one O(11), one O(13), one O(16), one O(6), one F(3), and one F(7) atom to form VO4F2 octahedra that share corners with two equivalent V(4)O4F2 octahedra,  a cornercorner with one Ge(2)O4 tetrahedra,  a cornercorner with one Ge(4)O4 tetrahedra, corners with two equivalent Ge(3)O4 tetrahedra,  an edgeedge with one V(2)O4F2 octahedra, and  an edgeedge with one V(5)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 41-42°. There are four inequivalent Ge sites. In the first Ge site, Ge(1) is bonded to one O(10), one O(2), one O(3), and one O(8) atom to form GeO4 tetrahedra that share  a cornercorner with one V(1)O4F2 octahedra,  a cornercorner with one V(3)O4F2 octahedra,  a cornercorner with one V(5)O4F2 octahedra,  a cornercorner with one V(6)O4F2 octahedra, corners with two equivalent V(4)O4F2 octahedra, and corners with two equivalent V(7)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 46-53°. In the second Ge site, Ge(2) is bonded to one O(1), one O(13), one O(4), and one O(7) atom to form GeO4 tetrahedra that share  a cornercorner with one V(2)O4F2 octahedra,  a cornercorner with one V(4)O4F2 octahedra,  a cornercorner with one V(7)O4F2 octahedra,  a cornercorner with one V(8)O4F2 octahedra, corners with two equivalent V(1)O4F2 octahedra, and corners with two equivalent V(5)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 46-56°. In the third Ge site, Ge(3) is bonded to one O(11), one O(15), one O(5), and one O(6) atom to form distorted GeO4 tetrahedra that share  a cornercorner with one V(1)O4F2 octahedra,  a cornercorner with one V(3)O4F2 octahedra,  a cornercorner with one V(5)O4F2 octahedra,  a cornercorner with one V(6)O4F2 octahedra, corners with two equivalent V(2)O4F2 octahedra, and corners with two equivalent V(8)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 35-63°. In the fourth Ge site, Ge(4) is bonded to one O(12), one O(14), one O(16), and one O(9) atom to form GeO4 tetrahedra that share  a cornercorner with one V(2)O4F2 octahedra,  a cornercorner with one V(4)O4F2 octahedra,  a cornercorner with one V(7)O4F2 octahedra,  a cornercorner with one V(8)O4F2 octahedra, corners with two equivalent V(3)O4F2 octahedra, and corners with two equivalent V(6)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 46-57°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one V(1), one V(2), and one Ge(2) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one V(6), one V(7), and one Ge(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one V(3), one V(4), and one Ge(1) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one V(1), one V(5), and one Ge(2) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one V(1), one V(2), and one Ge(3) atom. In the sixth O site, O(6) is bonded in a distorted square co-planar geometry to one Mg(1), one V(5), one V(8), and one Ge(3) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one V(4), one V(7), and one Ge(2) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one V(4), one V(7), and one Ge(1) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one V(6), one V(7), and one Ge(4) atom. In the tenth O site, O(10) is bonded in a distorted T-shaped geometry to one V(1), one V(5), and one Ge(1) atom. In the eleventh O site, O(11) is bonded in a rectangular see-saw-like geometry to one Mg(1), one V(2), one V(8), and one Ge(3) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one V(3), one V(4), and one Ge(4) atom. In the thirteenth O site, O(13) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one V(5), one V(8), and one Ge(2) atom. In the fourteenth O site, O(14) is bonded in a distorted trigonal planar geometry to one V(3), one V(6), and one Ge(4) atom. In the fifteenth O site, O(15) is bonded in a 4-coordinate geometry to one Mg(1), one V(3), one V(6), and one Ge(3) atom. In the sixteenth O site, O(16) is bonded in a distorted trigonal planar geometry to one V(2), one V(8), and one Ge(4) atom. There are eight inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to one V(1) and one V(6) atom. In the second F site, F(2) is bonded in a T-shaped geometry to one Mg(1), one V(3), and one V(5) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one V(4) and one V(8) atom. In the fourth F site, F(4) is bonded in a bent 150 degrees geometry to one V(2) and one V(7) atom. In the fifth F site, F(5) is bonded in a bent 150 degrees geometry to one V(1) and one V(6) atom. In the sixth F site, F(6) is bonded in a T-shaped geometry to one Mg(1), one V(3), and one V(5) atom. In the seventh F site, F(7) is bonded in a bent 150 degrees geometry to one V(4) and one V(8) atom. In the eighth F site, F(8) is bonded in a bent 150 degrees geometry to one V(2) and one V(7) atom. is represented by the CIF file [CIF]
data_MgV8Ge4(O2F)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.106
_cell_length_b   9.201
_cell_length_c   9.655
_cell_angle_alpha   90.288
_cell_angle_beta   90.054
_cell_angle_gamma   91.134
_symmetry_Int_Tables_number   1
_cell_volume   453.479
_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
  Mg  Mg0  1  0.887  0.451  0.901  1.0
  V  V1  1  0.404  0.908  0.867  1.0
  V  V2  1  0.614  0.085  0.134  1.0
  V  V3  1  0.900  0.412  0.609  1.0
  V  V4  1  0.096  0.587  0.365  1.0
  V  V5  1  0.397  0.596  0.867  1.0
  V  V6  1  0.902  0.083  0.632  1.0
  V  V7  1  0.101  0.918  0.371  1.0
  V  V8  1  0.580  0.414  0.140  1.0
  Ge  Ge9  1  0.606  0.751  0.553  1.0
  Ge  Ge10  1  0.897  0.760  0.066  1.0
  Ge  Ge11  1  0.125  0.224  0.940  1.0
  Ge  Ge12  1  0.390  0.247  0.441  1.0
  O  O13  1  0.711  0.912  0.016  1.0
  O  O14  1  0.800  0.907  0.505  1.0
  O  O15  1  0.793  0.593  0.503  1.0
  O  O16  1  0.197  0.757  0.973  1.0
  O  O17  1  0.303  0.076  0.991  1.0
  O  O18  1  0.257  0.403  0.982  1.0
  O  O19  1  0.954  0.754  0.247  1.0
  O  O20  1  0.296  0.752  0.465  1.0
  O  O21  1  0.202  0.095  0.499  1.0
  O  O22  1  0.547  0.755  0.734  1.0
  O  O23  1  0.803  0.248  0.018  1.0
  O  O24  1  0.214  0.408  0.489  1.0
  O  O25  1  0.718  0.597  0.011  1.0
  O  O26  1  0.700  0.247  0.532  1.0
  O  O27  1  0.034  0.253  0.761  1.0
  O  O28  1  0.452  0.239  0.261  1.0
  F  F29  1  0.082  0.944  0.749  1.0
  F  F30  1  0.064  0.555  0.747  1.0
  F  F31  1  0.912  0.438  0.258  1.0
  F  F32  1  0.418  0.944  0.255  1.0
  F  F33  1  0.592  0.058  0.751  1.0
  F  F34  1  0.612  0.440  0.756  1.0
  F  F35  1  0.398  0.570  0.248  1.0
  F  F36  1  0.931  0.064  0.254  1.0
[/CIF]
.
The material described by MgV8Ge4(O2F)8 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 6-coordinate geometry to one O(11), one O(13), one O(15), one O(6), one F(2), and one F(6) atom. There are eight inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(10), one O(4), one O(5), one F(1), and one F(5) atom to form VO4F2 octahedra that share corners with two equivalent V(6)O4F2 octahedra,  a cornercorner with one Ge(1)O4 tetrahedra,  a cornercorner with one Ge(3)O4 tetrahedra, corners with two equivalent Ge(2)O4 tetrahedra,  an edgeedge with one V(2)O4F2 octahedra, and  an edgeedge with one V(5)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 34-39°. In the second V site, V(2) is bonded to one O(1), one O(11), one O(16), one O(5), one F(4), and one F(8) atom to form VO4F2 octahedra that share corners with two equivalent V(7)O4F2 octahedra,  a cornercorner with one Ge(2)O4 tetrahedra,  a cornercorner with one Ge(4)O4 tetrahedra, corners with two equivalent Ge(3)O4 tetrahedra,  an edgeedge with one V(1)O4F2 octahedra, and  an edgeedge with one V(8)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 36-40°. In the third V site, V(3) is bonded to one O(12), one O(14), one O(15), one O(3), one F(2), and one F(6) atom to form VO4F2 octahedra that share corners with two equivalent V(5)O4F2 octahedra,  a cornercorner with one Ge(1)O4 tetrahedra,  a cornercorner with one Ge(3)O4 tetrahedra, corners with two equivalent Ge(4)O4 tetrahedra,  an edgeedge with one V(4)O4F2 octahedra, and  an edgeedge with one V(6)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 36-37°. In the fourth V site, V(4) is bonded to one O(12), one O(3), one O(7), one O(8), one F(3), and one F(7) atom to form VO4F2 octahedra that share corners with two equivalent V(8)O4F2 octahedra,  a cornercorner with one Ge(2)O4 tetrahedra,  a cornercorner with one Ge(4)O4 tetrahedra, corners with two equivalent Ge(1)O4 tetrahedra,  an edgeedge with one V(3)O4F2 octahedra, and  an edgeedge with one V(7)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 41-42°. In the fifth V site, V(5) is bonded to one O(10), one O(13), one O(4), one O(6), one F(2), and one F(6) atom to form VO4F2 octahedra that share corners with two equivalent V(3)O4F2 octahedra,  a cornercorner with one Ge(1)O4 tetrahedra,  a cornercorner with one Ge(3)O4 tetrahedra, corners with two equivalent Ge(2)O4 tetrahedra,  an edgeedge with one V(1)O4F2 octahedra, and  an edgeedge with one V(8)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 36-37°. In the sixth V site, V(6) is bonded to one O(14), one O(15), one O(2), one O(9), one F(1), and one F(5) atom to form VO4F2 octahedra that share corners with two equivalent V(1)O4F2 octahedra,  a cornercorner with one Ge(1)O4 tetrahedra,  a cornercorner with one Ge(3)O4 tetrahedra, corners with two equivalent Ge(4)O4 tetrahedra,  an edgeedge with one V(3)O4F2 octahedra, and  an edgeedge with one V(7)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 34-39°. In the seventh V site, V(7) is bonded to one O(2), one O(7), one O(8), one O(9), one F(4), and one F(8) atom to form VO4F2 octahedra that share corners with two equivalent V(2)O4F2 octahedra,  a cornercorner with one Ge(2)O4 tetrahedra,  a cornercorner with one Ge(4)O4 tetrahedra, corners with two equivalent Ge(1)O4 tetrahedra,  an edgeedge with one V(4)O4F2 octahedra, and  an edgeedge with one V(6)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 36-40°. In the eighth V site, V(8) is bonded to one O(11), one O(13), one O(16), one O(6), one F(3), and one F(7) atom to form VO4F2 octahedra that share corners with two equivalent V(4)O4F2 octahedra,  a cornercorner with one Ge(2)O4 tetrahedra,  a cornercorner with one Ge(4)O4 tetrahedra, corners with two equivalent Ge(3)O4 tetrahedra,  an edgeedge with one V(2)O4F2 octahedra, and  an edgeedge with one V(5)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 41-42°. There are four inequivalent Ge sites. In the first Ge site, Ge(1) is bonded to one O(10), one O(2), one O(3), and one O(8) atom to form GeO4 tetrahedra that share  a cornercorner with one V(1)O4F2 octahedra,  a cornercorner with one V(3)O4F2 octahedra,  a cornercorner with one V(5)O4F2 octahedra,  a cornercorner with one V(6)O4F2 octahedra, corners with two equivalent V(4)O4F2 octahedra, and corners with two equivalent V(7)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 46-53°. In the second Ge site, Ge(2) is bonded to one O(1), one O(13), one O(4), and one O(7) atom to form GeO4 tetrahedra that share  a cornercorner with one V(2)O4F2 octahedra,  a cornercorner with one V(4)O4F2 octahedra,  a cornercorner with one V(7)O4F2 octahedra,  a cornercorner with one V(8)O4F2 octahedra, corners with two equivalent V(1)O4F2 octahedra, and corners with two equivalent V(5)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 46-56°. In the third Ge site, Ge(3) is bonded to one O(11), one O(15), one O(5), and one O(6) atom to form distorted GeO4 tetrahedra that share  a cornercorner with one V(1)O4F2 octahedra,  a cornercorner with one V(3)O4F2 octahedra,  a cornercorner with one V(5)O4F2 octahedra,  a cornercorner with one V(6)O4F2 octahedra, corners with two equivalent V(2)O4F2 octahedra, and corners with two equivalent V(8)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 35-63°. In the fourth Ge site, Ge(4) is bonded to one O(12), one O(14), one O(16), and one O(9) atom to form GeO4 tetrahedra that share  a cornercorner with one V(2)O4F2 octahedra,  a cornercorner with one V(4)O4F2 octahedra,  a cornercorner with one V(7)O4F2 octahedra,  a cornercorner with one V(8)O4F2 octahedra, corners with two equivalent V(3)O4F2 octahedra, and corners with two equivalent V(6)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 46-57°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one V(1), one V(2), and one Ge(2) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one V(6), one V(7), and one Ge(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one V(3), one V(4), and one Ge(1) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one V(1), one V(5), and one Ge(2) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one V(1), one V(2), and one Ge(3) atom. In the sixth O site, O(6) is bonded in a distorted square co-planar geometry to one Mg(1), one V(5), one V(8), and one Ge(3) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one V(4), one V(7), and one Ge(2) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one V(4), one V(7), and one Ge(1) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one V(6), one V(7), and one Ge(4) atom. In the tenth O site, O(10) is bonded in a distorted T-shaped geometry to one V(1), one V(5), and one Ge(1) atom. In the eleventh O site, O(11) is bonded in a rectangular see-saw-like geometry to one Mg(1), one V(2), one V(8), and one Ge(3) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one V(3), one V(4), and one Ge(4) atom. In the thirteenth O site, O(13) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one V(5), one V(8), and one Ge(2) atom. In the fourteenth O site, O(14) is bonded in a distorted trigonal planar geometry to one V(3), one V(6), and one Ge(4) atom. In the fifteenth O site, O(15) is bonded in a 4-coordinate geometry to one Mg(1), one V(3), one V(6), and one Ge(3) atom. In the sixteenth O site, O(16) is bonded in a distorted trigonal planar geometry to one V(2), one V(8), and one Ge(4) atom. There are eight inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to one V(1) and one V(6) atom. In the second F site, F(2) is bonded in a T-shaped geometry to one Mg(1), one V(3), and one V(5) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one V(4) and one V(8) atom. In the fourth F site, F(4) is bonded in a bent 150 degrees geometry to one V(2) and one V(7) atom. In the fifth F site, F(5) is bonded in a bent 150 degrees geometry to one V(1) and one V(6) atom. In the sixth F site, F(6) is bonded in a T-shaped geometry to one Mg(1), one V(3), and one V(5) atom. In the seventh F site, F(7) is bonded in a bent 150 degrees geometry to one V(4) and one V(8) atom. In the eighth F site, F(8) is bonded in a bent 150 degrees geometry to one V(2) and one V(7) atom. is represented by the CIF file [CIF]
data_MgV8Ge4(O2F)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.106
_cell_length_b   9.201
_cell_length_c   9.655
_cell_angle_alpha   90.288
_cell_angle_beta   90.054
_cell_angle_gamma   91.134
_symmetry_Int_Tables_number   1
_cell_volume   453.479
_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
  Mg  Mg0  1  0.887  0.451  0.901  1.0
  V  V1  1  0.404  0.908  0.867  1.0
  V  V2  1  0.614  0.085  0.134  1.0
  V  V3  1  0.900  0.412  0.609  1.0
  V  V4  1  0.096  0.587  0.365  1.0
  V  V5  1  0.397  0.596  0.867  1.0
  V  V6  1  0.902  0.083  0.632  1.0
  V  V7  1  0.101  0.918  0.371  1.0
  V  V8  1  0.580  0.414  0.140  1.0
  Ge  Ge9  1  0.606  0.751  0.553  1.0
  Ge  Ge10  1  0.897  0.760  0.066  1.0
  Ge  Ge11  1  0.125  0.224  0.940  1.0
  Ge  Ge12  1  0.390  0.247  0.441  1.0
  O  O13  1  0.711  0.912  0.016  1.0
  O  O14  1  0.800  0.907  0.505  1.0
  O  O15  1  0.793  0.593  0.503  1.0
  O  O16  1  0.197  0.757  0.973  1.0
  O  O17  1  0.303  0.076  0.991  1.0
  O  O18  1  0.257  0.403  0.982  1.0
  O  O19  1  0.954  0.754  0.247  1.0
  O  O20  1  0.296  0.752  0.465  1.0
  O  O21  1  0.202  0.095  0.499  1.0
  O  O22  1  0.547  0.755  0.734  1.0
  O  O23  1  0.803  0.248  0.018  1.0
  O  O24  1  0.214  0.408  0.489  1.0
  O  O25  1  0.718  0.597  0.011  1.0
  O  O26  1  0.700  0.247  0.532  1.0
  O  O27  1  0.034  0.253  0.761  1.0
  O  O28  1  0.452  0.239  0.261  1.0
  F  F29  1  0.082  0.944  0.749  1.0
  F  F30  1  0.064  0.555  0.747  1.0
  F  F31  1  0.912  0.438  0.258  1.0
  F  F32  1  0.418  0.944  0.255  1.0
  F  F33  1  0.592  0.058  0.751  1.0
  F  F34  1  0.612  0.440  0.756  1.0
  F  F35  1  0.398  0.570  0.248  1.0
  F  F36  1  0.931  0.064  0.254  1.0
[/CIF]
.