The material described by Zn2P2O11F2 crystallizes in the triclinic P-1 space group. There are three inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a distorted linear geometry to two equivalent O(2) and two equivalent O(9) atoms. In the second Zn site, Zn(2) is bonded in a square co-planar geometry to two equivalent O(10) and two equivalent O(4) atoms. In the third Zn site, Zn(3) is bonded to one O(1), one O(3), one O(5), and one O(6) atom to form ZnO4 tetrahedra that share corners with two equivalent P(1)O3F tetrahedra and corners with two equivalent P(2)O3F tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(3), and one F(1) atom to form PO3F tetrahedra that share corners with two equivalent Zn(3)O4 tetrahedra. In the second P site, P(2) is bonded to one O(4), one O(5), one O(6), and one F(2) atom to form PO3F tetrahedra that share corners with two equivalent Zn(3)O4 tetrahedra. There are eleven inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Zn(3) and one P(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Zn(1) and one P(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Zn(3) and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Zn(2) and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Zn(3) and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one Zn(3) and one P(2) atom. In the seventh O site, O(7) is bonded in a single-bond geometry to one O(8) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one O(10) and one O(7) atom. In the ninth O site, O(9) is bonded in an L-shaped geometry to one Zn(1) and one O(11) atom. In the tenth O site, O(10) is bonded in a bent 120 degrees geometry to one Zn(2) and one O(8) atom. In the eleventh O site, O(11) is bonded in a single-bond geometry to one O(9) atom. There are two inequivalent F sites. In the first F site, F(2) is bonded in a single-bond geometry to one P(2) atom. In the second F site, F(1) is bonded in a single-bond geometry to one P(1) atom. is represented by the CIF card [CIF]
data_Zn2P2O11F2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.579
_cell_length_b   8.374
_cell_length_c   9.677
_cell_angle_alpha   85.179
_cell_angle_beta   81.656
_cell_angle_gamma   88.079
_symmetry_Int_Tables_number   1
_cell_volume   605.417
_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  0.500  0.000  1.0
  Zn  Zn1  1  0.500  0.000  0.500  1.0
  Zn  Zn2  1  0.500  0.506  0.746  1.0
  Zn  Zn3  1  0.500  0.494  0.254  1.0
  P  P4  1  0.647  0.299  0.996  1.0
  P  P5  1  0.353  0.701  0.004  1.0
  P  P6  1  0.282  0.347  0.537  1.0
  P  P7  1  0.718  0.653  0.463  1.0
  O  O8  1  0.521  0.328  0.888  1.0
  O  O9  1  0.479  0.672  0.112  1.0
  O  O10  1  0.815  0.402  0.950  1.0
  O  O11  1  0.185  0.598  0.050  1.0
  O  O12  1  0.567  0.303  0.149  1.0
  O  O13  1  0.433  0.697  0.851  1.0
  O  O14  1  0.399  0.194  0.557  1.0
  O  O15  1  0.601  0.806  0.443  1.0
  O  O16  1  0.298  0.422  0.388  1.0
  O  O17  1  0.702  0.578  0.612  1.0
  O  O18  1  0.299  0.460  0.650  1.0
  O  O19  1  0.701  0.540  0.350  1.0
  O  O20  1  0.942  0.028  0.709  1.0
  O  O21  1  0.058  0.972  0.291  1.0
  O  O22  1  0.795  0.072  0.671  1.0
  O  O23  1  0.205  0.928  0.329  1.0
  O  O24  1  0.909  0.750  0.863  1.0
  O  O25  1  0.091  0.250  0.137  1.0
  O  O26  1  0.774  0.042  0.542  1.0
  O  O27  1  0.226  0.958  0.458  1.0
  O  O28  1  0.164  0.180  0.035  1.0
  O  O29  1  0.836  0.820  0.965  1.0
  F  F30  1  0.718  0.120  0.985  1.0
  F  F31  1  0.282  0.880  0.015  1.0
  F  F32  1  0.082  0.290  0.569  1.0
  F  F33  1  0.918  0.710  0.431  1.0
[/CIF]
.
The material described by Zn2P2O11F2 crystallizes in the triclinic P-1 space group. There are three inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a distorted linear geometry to two equivalent O(2) and two equivalent O(9) atoms. In the second Zn site, Zn(2) is bonded in a square co-planar geometry to two equivalent O(10) and two equivalent O(4) atoms. In the third Zn site, Zn(3) is bonded to one O(1), one O(3), one O(5), and one O(6) atom to form ZnO4 tetrahedra that share corners with two equivalent P(1)O3F tetrahedra and corners with two equivalent P(2)O3F tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(3), and one F(1) atom to form PO3F tetrahedra that share corners with two equivalent Zn(3)O4 tetrahedra. In the second P site, P(2) is bonded to one O(4), one O(5), one O(6), and one F(2) atom to form PO3F tetrahedra that share corners with two equivalent Zn(3)O4 tetrahedra. There are eleven inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Zn(3) and one P(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Zn(1) and one P(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Zn(3) and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Zn(2) and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Zn(3) and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one Zn(3) and one P(2) atom. In the seventh O site, O(7) is bonded in a single-bond geometry to one O(8) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one O(10) and one O(7) atom. In the ninth O site, O(9) is bonded in an L-shaped geometry to one Zn(1) and one O(11) atom. In the tenth O site, O(10) is bonded in a bent 120 degrees geometry to one Zn(2) and one O(8) atom. In the eleventh O site, O(11) is bonded in a single-bond geometry to one O(9) atom. There are two inequivalent F sites. In the first F site, F(2) is bonded in a single-bond geometry to one P(2) atom. In the second F site, F(1) is bonded in a single-bond geometry to one P(1) atom. is represented by the CIF card [CIF]
data_Zn2P2O11F2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.579
_cell_length_b   8.374
_cell_length_c   9.677
_cell_angle_alpha   85.179
_cell_angle_beta   81.656
_cell_angle_gamma   88.079
_symmetry_Int_Tables_number   1
_cell_volume   605.417
_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  0.500  0.000  1.0
  Zn  Zn1  1  0.500  0.000  0.500  1.0
  Zn  Zn2  1  0.500  0.506  0.746  1.0
  Zn  Zn3  1  0.500  0.494  0.254  1.0
  P  P4  1  0.647  0.299  0.996  1.0
  P  P5  1  0.353  0.701  0.004  1.0
  P  P6  1  0.282  0.347  0.537  1.0
  P  P7  1  0.718  0.653  0.463  1.0
  O  O8  1  0.521  0.328  0.888  1.0
  O  O9  1  0.479  0.672  0.112  1.0
  O  O10  1  0.815  0.402  0.950  1.0
  O  O11  1  0.185  0.598  0.050  1.0
  O  O12  1  0.567  0.303  0.149  1.0
  O  O13  1  0.433  0.697  0.851  1.0
  O  O14  1  0.399  0.194  0.557  1.0
  O  O15  1  0.601  0.806  0.443  1.0
  O  O16  1  0.298  0.422  0.388  1.0
  O  O17  1  0.702  0.578  0.612  1.0
  O  O18  1  0.299  0.460  0.650  1.0
  O  O19  1  0.701  0.540  0.350  1.0
  O  O20  1  0.942  0.028  0.709  1.0
  O  O21  1  0.058  0.972  0.291  1.0
  O  O22  1  0.795  0.072  0.671  1.0
  O  O23  1  0.205  0.928  0.329  1.0
  O  O24  1  0.909  0.750  0.863  1.0
  O  O25  1  0.091  0.250  0.137  1.0
  O  O26  1  0.774  0.042  0.542  1.0
  O  O27  1  0.226  0.958  0.458  1.0
  O  O28  1  0.164  0.180  0.035  1.0
  O  O29  1  0.836  0.820  0.965  1.0
  F  F30  1  0.718  0.120  0.985  1.0
  F  F31  1  0.282  0.880  0.015  1.0
  F  F32  1  0.082  0.290  0.569  1.0
  F  F33  1  0.918  0.710  0.431  1.0
[/CIF]
.