The compound described by ZnBi6P2(O7F)2 crystallizes in the monoclinic C2/c space group. Zn(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form distorted ZnO6 octahedra that share corners with four equivalent P(1)O3F tetrahedra. There are three inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 6-coordinate geometry to one O(4), one O(5), two equivalent O(2), and two equivalent O(7) atoms. In the second Bi site, Bi(2) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(4), one O(5), one O(6), one O(7), and one O(8) atom. In the third Bi site, Bi(3) is bonded in a 5-coordinate geometry to one O(2), one O(3), one O(6), one O(7), and one O(8) atom. P(1) is bonded to one O(1), one O(3), one O(4), and one F(1) atom to form PO3F tetrahedra that share corners with two equivalent Zn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-55°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Zn(1), one Bi(2), and one P(1) atom. In the second O site, O(2) is bonded to one Bi(2), one Bi(3), and two equivalent Bi(1) atoms to form a mixture of edge and corner-sharing OBi4 tetrahedra. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Zn(1), one Bi(3), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Bi(1), one Bi(2), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Zn(1), one Bi(1), and one Bi(2) atom. In the sixth O site, O(6) is bonded to two equivalent Bi(2) and two equivalent Bi(3) atoms to form a mixture of edge and corner-sharing OBi4 tetrahedra. In the seventh O site, O(7) is bonded to one Bi(2), one Bi(3), and two equivalent Bi(1) atoms to form a mixture of edge and corner-sharing OBi4 tetrahedra. In the eighth O site, O(8) is bonded to two equivalent Bi(2) and two equivalent Bi(3) atoms to form a mixture of edge and corner-sharing OBi4 tetrahedra. F(1) is bonded in a single-bond geometry to one P(1) atom. is represented by the CIF file [CIF]
data_ZnBi6P2(O7F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.968
_cell_length_b   8.968
_cell_length_c   16.905
_cell_angle_alpha   72.091
_cell_angle_beta   72.091
_cell_angle_gamma   37.076
_symmetry_Int_Tables_number   1
_cell_volume   775.320
_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
  Zn  Zn0  1  0.000  0.000  0.000  1.0
  Zn  Zn1  1  0.000  0.000  0.500  1.0
  Bi  Bi2  1  0.270  0.140  0.829  1.0
  Bi  Bi3  1  0.860  0.730  0.671  1.0
  Bi  Bi4  1  0.455  0.672  0.330  1.0
  Bi  Bi5  1  0.730  0.860  0.171  1.0
  Bi  Bi6  1  0.140  0.270  0.329  1.0
  Bi  Bi7  1  0.973  0.821  0.825  1.0
  Bi  Bi8  1  0.672  0.455  0.830  1.0
  Bi  Bi9  1  0.328  0.545  0.170  1.0
  Bi  Bi10  1  0.545  0.328  0.670  1.0
  Bi  Bi11  1  0.179  0.027  0.675  1.0
  Bi  Bi12  1  0.027  0.179  0.175  1.0
  Bi  Bi13  1  0.821  0.973  0.325  1.0
  P  P14  1  0.389  0.357  0.991  1.0
  P  P15  1  0.611  0.643  0.009  1.0
  P  P16  1  0.643  0.611  0.509  1.0
  P  P17  1  0.357  0.389  0.491  1.0
  O  O18  1  0.343  0.833  0.051  1.0
  O  O19  1  0.869  0.473  0.243  1.0
  O  O20  1  0.624  0.228  0.455  1.0
  O  O21  1  0.636  0.688  0.913  1.0
  O  O22  1  0.968  0.894  0.112  1.0
  O  O23  1  0.131  0.527  0.757  1.0
  O  O24  1  0.816  0.184  0.750  1.0
  O  O25  1  0.228  0.624  0.955  1.0
  O  O26  1  0.364  0.312  0.087  1.0
  O  O27  1  0.642  0.022  0.759  1.0
  O  O28  1  0.032  0.106  0.888  1.0
  O  O29  1  0.376  0.772  0.545  1.0
  O  O30  1  0.473  0.869  0.743  1.0
  O  O31  1  0.688  0.636  0.413  1.0
  O  O32  1  0.527  0.131  0.257  1.0
  O  O33  1  0.167  0.657  0.449  1.0
  O  O34  1  0.978  0.358  0.741  1.0
  O  O35  1  0.772  0.376  0.045  1.0
  O  O36  1  0.894  0.968  0.612  1.0
  O  O37  1  0.833  0.343  0.551  1.0
  O  O38  1  0.657  0.167  0.949  1.0
  O  O39  1  0.022  0.642  0.259  1.0
  O  O40  1  0.106  0.032  0.388  1.0
  O  O41  1  0.358  0.978  0.241  1.0
  O  O42  1  0.184  0.816  0.250  1.0
  O  O43  1  0.299  0.701  0.750  1.0
  O  O44  1  0.312  0.364  0.587  1.0
  O  O45  1  0.701  0.299  0.250  1.0
  F  F46  1  0.691  0.727  0.537  1.0
  F  F47  1  0.727  0.691  0.037  1.0
  F  F48  1  0.273  0.309  0.963  1.0
  F  F49  1  0.309  0.273  0.463  1.0
[/CIF]
.
The compound described by ZnBi6P2(O7F)2 crystallizes in the monoclinic C2/c space group. Zn(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form distorted ZnO6 octahedra that share corners with four equivalent P(1)O3F tetrahedra. There are three inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 6-coordinate geometry to one O(4), one O(5), two equivalent O(2), and two equivalent O(7) atoms. In the second Bi site, Bi(2) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(4), one O(5), one O(6), one O(7), and one O(8) atom. In the third Bi site, Bi(3) is bonded in a 5-coordinate geometry to one O(2), one O(3), one O(6), one O(7), and one O(8) atom. P(1) is bonded to one O(1), one O(3), one O(4), and one F(1) atom to form PO3F tetrahedra that share corners with two equivalent Zn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-55°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Zn(1), one Bi(2), and one P(1) atom. In the second O site, O(2) is bonded to one Bi(2), one Bi(3), and two equivalent Bi(1) atoms to form a mixture of edge and corner-sharing OBi4 tetrahedra. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Zn(1), one Bi(3), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Bi(1), one Bi(2), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Zn(1), one Bi(1), and one Bi(2) atom. In the sixth O site, O(6) is bonded to two equivalent Bi(2) and two equivalent Bi(3) atoms to form a mixture of edge and corner-sharing OBi4 tetrahedra. In the seventh O site, O(7) is bonded to one Bi(2), one Bi(3), and two equivalent Bi(1) atoms to form a mixture of edge and corner-sharing OBi4 tetrahedra. In the eighth O site, O(8) is bonded to two equivalent Bi(2) and two equivalent Bi(3) atoms to form a mixture of edge and corner-sharing OBi4 tetrahedra. F(1) is bonded in a single-bond geometry to one P(1) atom. is represented by the CIF file [CIF]
data_ZnBi6P2(O7F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.968
_cell_length_b   8.968
_cell_length_c   16.905
_cell_angle_alpha   72.091
_cell_angle_beta   72.091
_cell_angle_gamma   37.076
_symmetry_Int_Tables_number   1
_cell_volume   775.320
_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
  Zn  Zn0  1  0.000  0.000  0.000  1.0
  Zn  Zn1  1  0.000  0.000  0.500  1.0
  Bi  Bi2  1  0.270  0.140  0.829  1.0
  Bi  Bi3  1  0.860  0.730  0.671  1.0
  Bi  Bi4  1  0.455  0.672  0.330  1.0
  Bi  Bi5  1  0.730  0.860  0.171  1.0
  Bi  Bi6  1  0.140  0.270  0.329  1.0
  Bi  Bi7  1  0.973  0.821  0.825  1.0
  Bi  Bi8  1  0.672  0.455  0.830  1.0
  Bi  Bi9  1  0.328  0.545  0.170  1.0
  Bi  Bi10  1  0.545  0.328  0.670  1.0
  Bi  Bi11  1  0.179  0.027  0.675  1.0
  Bi  Bi12  1  0.027  0.179  0.175  1.0
  Bi  Bi13  1  0.821  0.973  0.325  1.0
  P  P14  1  0.389  0.357  0.991  1.0
  P  P15  1  0.611  0.643  0.009  1.0
  P  P16  1  0.643  0.611  0.509  1.0
  P  P17  1  0.357  0.389  0.491  1.0
  O  O18  1  0.343  0.833  0.051  1.0
  O  O19  1  0.869  0.473  0.243  1.0
  O  O20  1  0.624  0.228  0.455  1.0
  O  O21  1  0.636  0.688  0.913  1.0
  O  O22  1  0.968  0.894  0.112  1.0
  O  O23  1  0.131  0.527  0.757  1.0
  O  O24  1  0.816  0.184  0.750  1.0
  O  O25  1  0.228  0.624  0.955  1.0
  O  O26  1  0.364  0.312  0.087  1.0
  O  O27  1  0.642  0.022  0.759  1.0
  O  O28  1  0.032  0.106  0.888  1.0
  O  O29  1  0.376  0.772  0.545  1.0
  O  O30  1  0.473  0.869  0.743  1.0
  O  O31  1  0.688  0.636  0.413  1.0
  O  O32  1  0.527  0.131  0.257  1.0
  O  O33  1  0.167  0.657  0.449  1.0
  O  O34  1  0.978  0.358  0.741  1.0
  O  O35  1  0.772  0.376  0.045  1.0
  O  O36  1  0.894  0.968  0.612  1.0
  O  O37  1  0.833  0.343  0.551  1.0
  O  O38  1  0.657  0.167  0.949  1.0
  O  O39  1  0.022  0.642  0.259  1.0
  O  O40  1  0.106  0.032  0.388  1.0
  O  O41  1  0.358  0.978  0.241  1.0
  O  O42  1  0.184  0.816  0.250  1.0
  O  O43  1  0.299  0.701  0.750  1.0
  O  O44  1  0.312  0.364  0.587  1.0
  O  O45  1  0.701  0.299  0.250  1.0
  F  F46  1  0.691  0.727  0.537  1.0
  F  F47  1  0.727  0.691  0.037  1.0
  F  F48  1  0.273  0.309  0.963  1.0
  F  F49  1  0.309  0.273  0.463  1.0
[/CIF]
.