The compound described by Li3Cr4P2O8F9 crystallizes in the monoclinic P2_1/m space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to two equivalent O(1), one F(1), one F(5), and two equivalent F(3) atoms. In the second Li site, Li(2) is bonded in a water-like geometry to one O(4) and one F(3) atom. There are three inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to two equivalent O(1), one F(1), one F(2), and two equivalent F(4) atoms to form CrO2F4 octahedra that share corners with two equivalent Cr(2)O2F4 octahedra, corners with two equivalent Cr(3)O2F4 octahedra, and corners with two equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 42-55°. In the second Cr site, Cr(2) is bonded to two equivalent O(3), one F(1), one F(2), and two equivalent F(6) atoms to form CrO2F4 octahedra that share corners with two equivalent Cr(1)O2F4 octahedra, corners with two equivalent Cr(3)O2F4 octahedra, and corners with two equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 36-55°. In the third Cr site, Cr(3) is bonded to one O(2), one O(4), one F(3), one F(4), one F(5), and one F(6) atom to form CrO2F4 octahedra that share  a cornercorner with one Cr(1)O2F4 octahedra,  a cornercorner with one Cr(2)O2F4 octahedra,  a cornercorner with one Cr(3)O2F4 octahedra, and corners with two equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 36-42°. 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  a cornercorner with one Cr(1)O2F4 octahedra,  a cornercorner with one Cr(2)O2F4 octahedra, and corners with two equivalent Cr(3)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 43-56°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(1), one Cr(1), and one P(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Cr(3) and one P(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Cr(2) and one P(1) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Li(2), one Cr(3), and one P(1) atom. There are six inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Li(1), one Cr(1), and one Cr(2) atom. In the second F site, F(2) is bonded in a bent 120 degrees geometry to one Cr(1) and one Cr(2) atom. In the third F site, F(3) is bonded in a distorted bent 120 degrees geometry to one Li(1), one Li(2), and one Cr(3) atom. In the fourth F site, F(4) is bonded in a bent 150 degrees geometry to one Cr(1) and one Cr(3) atom. In the fifth F site, F(5) is bonded in a distorted trigonal non-coplanar geometry to one Li(1) and two equivalent Cr(3) atoms. In the sixth F site, F(6) is bonded in a bent 150 degrees geometry to one Cr(2) and one Cr(3) atom. is represented by the CIF card [CIF]
data_Li3Cr4P2O8F9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.371
_cell_length_b   6.944
_cell_length_c   7.164
_cell_angle_alpha   76.450
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   695.072
_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
  Li  Li0  1  0.750  0.033  0.446  1.0
  Li  Li1  1  0.505  0.785  0.676  1.0
  Li  Li2  1  0.995  0.785  0.676  1.0
  Li  Li3  1  0.495  0.215  0.324  1.0
  Li  Li4  1  0.005  0.215  0.324  1.0
  Li  Li5  1  0.250  0.967  0.554  1.0
  Cr  Cr6  1  0.750  0.963  0.067  1.0
  Cr  Cr7  1  0.250  0.525  0.932  1.0
  Cr  Cr8  1  0.381  0.690  0.313  1.0
  Cr  Cr9  1  0.119  0.690  0.313  1.0
  Cr  Cr10  1  0.881  0.310  0.687  1.0
  Cr  Cr11  1  0.619  0.310  0.687  1.0
  Cr  Cr12  1  0.750  0.475  0.068  1.0
  Cr  Cr13  1  0.250  0.037  0.933  1.0
  P  P14  1  0.899  0.667  0.314  1.0
  P  P15  1  0.601  0.667  0.314  1.0
  P  P16  1  0.101  0.333  0.686  1.0
  P  P17  1  0.399  0.333  0.686  1.0
  O  O18  1  0.841  0.861  0.275  1.0
  O  O19  1  0.659  0.861  0.275  1.0
  O  O20  1  0.507  0.717  0.211  1.0
  O  O21  1  0.993  0.717  0.211  1.0
  O  O22  1  0.352  0.499  0.761  1.0
  O  O23  1  0.148  0.499  0.761  1.0
  O  O24  1  0.912  0.593  0.536  1.0
  O  O25  1  0.588  0.593  0.536  1.0
  O  O26  1  0.088  0.407  0.464  1.0
  O  O27  1  0.412  0.407  0.464  1.0
  O  O28  1  0.852  0.501  0.239  1.0
  O  O29  1  0.648  0.501  0.239  1.0
  O  O30  1  0.493  0.283  0.789  1.0
  O  O31  1  0.007  0.283  0.789  1.0
  O  O32  1  0.341  0.139  0.725  1.0
  O  O33  1  0.159  0.139  0.725  1.0
  F  F34  1  0.250  0.809  0.816  1.0
  F  F35  1  0.750  0.749  0.940  1.0
  F  F36  1  0.413  0.864  0.485  1.0
  F  F37  1  0.087  0.864  0.485  1.0
  F  F38  1  0.349  0.938  0.122  1.0
  F  F39  1  0.151  0.938  0.122  1.0
  F  F40  1  0.250  0.703  0.407  1.0
  F  F41  1  0.847  0.448  0.884  1.0
  F  F42  1  0.653  0.448  0.884  1.0
  F  F43  1  0.347  0.552  0.116  1.0
  F  F44  1  0.153  0.552  0.116  1.0
  F  F45  1  0.750  0.297  0.593  1.0
  F  F46  1  0.849  0.062  0.878  1.0
  F  F47  1  0.651  0.062  0.878  1.0
  F  F48  1  0.913  0.136  0.515  1.0
  F  F49  1  0.587  0.136  0.515  1.0
  F  F50  1  0.250  0.251  0.060  1.0
  F  F51  1  0.750  0.191  0.184  1.0
[/CIF]
.
The compound described by Li3Cr4P2O8F9 crystallizes in the monoclinic P2_1/m space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to two equivalent O(1), one F(1), one F(5), and two equivalent F(3) atoms. In the second Li site, Li(2) is bonded in a water-like geometry to one O(4) and one F(3) atom. There are three inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to two equivalent O(1), one F(1), one F(2), and two equivalent F(4) atoms to form CrO2F4 octahedra that share corners with two equivalent Cr(2)O2F4 octahedra, corners with two equivalent Cr(3)O2F4 octahedra, and corners with two equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 42-55°. In the second Cr site, Cr(2) is bonded to two equivalent O(3), one F(1), one F(2), and two equivalent F(6) atoms to form CrO2F4 octahedra that share corners with two equivalent Cr(1)O2F4 octahedra, corners with two equivalent Cr(3)O2F4 octahedra, and corners with two equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 36-55°. In the third Cr site, Cr(3) is bonded to one O(2), one O(4), one F(3), one F(4), one F(5), and one F(6) atom to form CrO2F4 octahedra that share  a cornercorner with one Cr(1)O2F4 octahedra,  a cornercorner with one Cr(2)O2F4 octahedra,  a cornercorner with one Cr(3)O2F4 octahedra, and corners with two equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 36-42°. 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  a cornercorner with one Cr(1)O2F4 octahedra,  a cornercorner with one Cr(2)O2F4 octahedra, and corners with two equivalent Cr(3)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 43-56°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(1), one Cr(1), and one P(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Cr(3) and one P(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Cr(2) and one P(1) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Li(2), one Cr(3), and one P(1) atom. There are six inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Li(1), one Cr(1), and one Cr(2) atom. In the second F site, F(2) is bonded in a bent 120 degrees geometry to one Cr(1) and one Cr(2) atom. In the third F site, F(3) is bonded in a distorted bent 120 degrees geometry to one Li(1), one Li(2), and one Cr(3) atom. In the fourth F site, F(4) is bonded in a bent 150 degrees geometry to one Cr(1) and one Cr(3) atom. In the fifth F site, F(5) is bonded in a distorted trigonal non-coplanar geometry to one Li(1) and two equivalent Cr(3) atoms. In the sixth F site, F(6) is bonded in a bent 150 degrees geometry to one Cr(2) and one Cr(3) atom. is represented by the CIF card [CIF]
data_Li3Cr4P2O8F9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.371
_cell_length_b   6.944
_cell_length_c   7.164
_cell_angle_alpha   76.450
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   695.072
_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
  Li  Li0  1  0.750  0.033  0.446  1.0
  Li  Li1  1  0.505  0.785  0.676  1.0
  Li  Li2  1  0.995  0.785  0.676  1.0
  Li  Li3  1  0.495  0.215  0.324  1.0
  Li  Li4  1  0.005  0.215  0.324  1.0
  Li  Li5  1  0.250  0.967  0.554  1.0
  Cr  Cr6  1  0.750  0.963  0.067  1.0
  Cr  Cr7  1  0.250  0.525  0.932  1.0
  Cr  Cr8  1  0.381  0.690  0.313  1.0
  Cr  Cr9  1  0.119  0.690  0.313  1.0
  Cr  Cr10  1  0.881  0.310  0.687  1.0
  Cr  Cr11  1  0.619  0.310  0.687  1.0
  Cr  Cr12  1  0.750  0.475  0.068  1.0
  Cr  Cr13  1  0.250  0.037  0.933  1.0
  P  P14  1  0.899  0.667  0.314  1.0
  P  P15  1  0.601  0.667  0.314  1.0
  P  P16  1  0.101  0.333  0.686  1.0
  P  P17  1  0.399  0.333  0.686  1.0
  O  O18  1  0.841  0.861  0.275  1.0
  O  O19  1  0.659  0.861  0.275  1.0
  O  O20  1  0.507  0.717  0.211  1.0
  O  O21  1  0.993  0.717  0.211  1.0
  O  O22  1  0.352  0.499  0.761  1.0
  O  O23  1  0.148  0.499  0.761  1.0
  O  O24  1  0.912  0.593  0.536  1.0
  O  O25  1  0.588  0.593  0.536  1.0
  O  O26  1  0.088  0.407  0.464  1.0
  O  O27  1  0.412  0.407  0.464  1.0
  O  O28  1  0.852  0.501  0.239  1.0
  O  O29  1  0.648  0.501  0.239  1.0
  O  O30  1  0.493  0.283  0.789  1.0
  O  O31  1  0.007  0.283  0.789  1.0
  O  O32  1  0.341  0.139  0.725  1.0
  O  O33  1  0.159  0.139  0.725  1.0
  F  F34  1  0.250  0.809  0.816  1.0
  F  F35  1  0.750  0.749  0.940  1.0
  F  F36  1  0.413  0.864  0.485  1.0
  F  F37  1  0.087  0.864  0.485  1.0
  F  F38  1  0.349  0.938  0.122  1.0
  F  F39  1  0.151  0.938  0.122  1.0
  F  F40  1  0.250  0.703  0.407  1.0
  F  F41  1  0.847  0.448  0.884  1.0
  F  F42  1  0.653  0.448  0.884  1.0
  F  F43  1  0.347  0.552  0.116  1.0
  F  F44  1  0.153  0.552  0.116  1.0
  F  F45  1  0.750  0.297  0.593  1.0
  F  F46  1  0.849  0.062  0.878  1.0
  F  F47  1  0.651  0.062  0.878  1.0
  F  F48  1  0.913  0.136  0.515  1.0
  F  F49  1  0.587  0.136  0.515  1.0
  F  F50  1  0.250  0.251  0.060  1.0
  F  F51  1  0.750  0.191  0.184  1.0
[/CIF]
.