The compound described by K2FeP2H3(O4F)2 crystallizes in the triclinic P1 space group. There are four inequivalent K sites. In the first K site, K(1) is bonded in a 12-coordinate geometry to one P(2), one H(2), one H(3), one H(6), one O(13), one O(15), one O(16), one O(2), one O(5), one O(6), one O(7), and one F(2) atom. In the second K site, K(2) is bonded in a 8-coordinate geometry to one P(3), one H(4), one O(12), one O(14), one O(16), one O(2), one O(9), and one F(4) atom. In the third K site, K(3) is bonded in a 10-coordinate geometry to one H(1), one H(3), one H(5), one O(12), one O(15), one O(2), one O(5), one O(6), one F(1), and one F(4) atom. In the fourth K site, K(4) is bonded in a 3-coordinate geometry to one O(16), one O(7), one O(9), one F(2), and one F(3) atom. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 5-coordinate geometry to one O(13), one O(7), one O(8), one F(1), and one F(4) atom. In the second Fe site, Fe(2) is bonded in a 6-coordinate geometry to one H(3), one O(1), one O(11), one O(12), one O(3), and one F(2) atom. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(10), one O(11), one O(13), one O(15), and one F(1) atom to form corner-sharing PO4F trigonal bipyramids. In the second P site, P(2) is bonded in a distorted trigonal non-coplanar geometry to one K(1), one O(3), one O(4), and one O(9) atom. In the third P site, P(3) is bonded in a 3-coordinate geometry to one K(2), one O(11), one O(8), and one F(3) atom. In the fourth P site, P(4) is bonded to one H(4), one O(13), one O(14), one O(4), and one O(6) atom to form distorted corner-sharing PHO4 trigonal bipyramids. There are six inequivalent H sites. In the first H site, H(1) is bonded in a distorted bent 150 degrees geometry to one K(3), one O(1), and one O(5) atom. In the second H site, H(2) is bonded in a distorted bent 150 degrees geometry to one K(1), one O(15), and one O(2) atom. In the third H site, H(3) is bonded in a 2-coordinate geometry to one K(1), one K(3), and one Fe(2) atom. In the fourth H site, H(4) is bonded in a distorted water-like geometry to one K(2) and one P(4) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one K(3) and one O(12) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one K(1) and one O(16) atom. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Fe(2), one H(1), and one O(7) atom. In the second O site, O(2) is bonded in a single-bond geometry to one K(1), one K(2), one K(3), and one H(2) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Fe(2) and one P(2) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one P(2) and one P(4) atom. In the fifth O site, O(5) is bonded in a single-bond geometry to one K(1), one K(3), and one H(1) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one K(1), one K(3), and one P(4) atom. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to one K(1), one K(4), one Fe(1), and one O(1) atom. In the eighth O site, O(8) is bonded in a distorted bent 150 degrees geometry to one Fe(1) and one P(3) atom. In the ninth O site, O(9) is bonded in a distorted single-bond geometry to one K(2), one K(4), one P(2), and one O(14) atom. In the tenth O site, O(10) is bonded in a distorted single-bond geometry to one P(1) atom. In the eleventh O site, O(11) is bonded in a distorted bent 150 degrees geometry to one Fe(2), one P(1), and one P(3) atom. In the twelfth O site, O(12) is bonded in a distorted single-bond geometry to one K(2), one K(3), one Fe(2), and one H(5) atom. In the thirteenth O site, O(13) is bonded in a 2-coordinate geometry to one K(1), one Fe(1), one P(1), and one P(4) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one K(2), one P(4), and one O(9) atom. In the fifteenth O site, O(15) is bonded in a distorted water-like geometry to one K(1), one K(3), one P(1), and one H(2) atom. In the sixteenth O site, O(16) is bonded in a single-bond geometry to one K(1), one K(2), one K(4), and one H(6) atom. There are four inequivalent F sites. In the first F site, F(1) is bonded in a 3-coordinate geometry to one K(3), one Fe(1), and one P(1) atom. In the second F site, F(2) is bonded in a 3-coordinate geometry to one K(1), one K(4), and one Fe(2) atom. In the third F site, F(3) is bonded in a distorted water-like geometry to one K(4) and one P(3) atom. In the fourth F site, F(4) is bonded in a 3-coordinate geometry to one K(2), one K(3), and one Fe(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_K2FeP2H3(O4F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.247
_cell_length_b   7.239
_cell_length_c   7.534
_cell_angle_alpha   92.787
_cell_angle_beta   87.248
_cell_angle_gamma   91.617
_symmetry_Int_Tables_number   1
_cell_volume   394.217
_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
  K  K0  1  0.628  0.759  0.620  1.0
  K  K1  1  0.315  0.318  0.894  1.0
  K  K2  1  0.613  0.559  0.022  1.0
  K  K3  1  0.407  0.082  0.532  1.0
  Fe  Fe4  1  0.156  0.751  0.287  1.0
  Fe  Fe5  1  0.736  0.014  0.137  1.0
  P  P6  1  0.822  0.447  0.382  1.0
  P  P7  1  0.934  0.014  0.762  1.0
  P  P8  1  0.135  0.195  0.230  1.0
  P  P9  1  0.034  0.615  0.705  1.0
  H  H10  1  0.374  0.811  0.039  1.0
  H  H11  1  0.539  0.436  0.520  1.0
  H  H12  1  0.684  0.876  0.971  1.0
  H  H13  1  0.226  0.590  0.680  1.0
  H  H14  1  0.539  0.273  0.200  1.0
  H  H15  1  0.546  0.974  0.905  1.0
  O  O16  1  0.449  0.891  0.211  1.0
  O  O17  1  0.581  0.387  0.640  1.0
  O  O18  1  0.958  0.035  0.973  1.0
  O  O19  1  0.081  0.851  0.675  1.0
  O  O20  1  0.356  0.788  0.904  1.0
  O  O21  1  0.891  0.646  0.850  1.0
  O  O22  1  0.402  0.782  0.363  1.0
  O  O23  1  0.107  0.008  0.316  1.0
  O  O24  1  0.073  0.190  0.686  1.0
  O  O25  1  0.752  0.308  0.553  1.0
  O  O26  1  0.923  0.280  0.282  1.0
  O  O27  1  0.592  0.217  0.089  1.0
  O  O28  1  0.965  0.582  0.499  1.0
  O  O29  1  0.999  0.372  0.781  1.0
  O  O30  1  0.625  0.498  0.349  1.0
  O  O31  1  0.421  0.969  0.846  1.0
  F  F32  1  0.900  0.594  0.215  1.0
  F  F33  1  0.754  0.946  0.370  1.0
  F  F34  1  0.239  0.325  0.391  1.0
  F  F35  1  0.242  0.564  0.121  1.0
[/CIF]
.
The compound described by K2FeP2H3(O4F)2 crystallizes in the triclinic P1 space group. There are four inequivalent K sites. In the first K site, K(1) is bonded in a 12-coordinate geometry to one P(2), one H(2), one H(3), one H(6), one O(13), one O(15), one O(16), one O(2), one O(5), one O(6), one O(7), and one F(2) atom. In the second K site, K(2) is bonded in a 8-coordinate geometry to one P(3), one H(4), one O(12), one O(14), one O(16), one O(2), one O(9), and one F(4) atom. In the third K site, K(3) is bonded in a 10-coordinate geometry to one H(1), one H(3), one H(5), one O(12), one O(15), one O(2), one O(5), one O(6), one F(1), and one F(4) atom. In the fourth K site, K(4) is bonded in a 3-coordinate geometry to one O(16), one O(7), one O(9), one F(2), and one F(3) atom. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 5-coordinate geometry to one O(13), one O(7), one O(8), one F(1), and one F(4) atom. In the second Fe site, Fe(2) is bonded in a 6-coordinate geometry to one H(3), one O(1), one O(11), one O(12), one O(3), and one F(2) atom. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(10), one O(11), one O(13), one O(15), and one F(1) atom to form corner-sharing PO4F trigonal bipyramids. In the second P site, P(2) is bonded in a distorted trigonal non-coplanar geometry to one K(1), one O(3), one O(4), and one O(9) atom. In the third P site, P(3) is bonded in a 3-coordinate geometry to one K(2), one O(11), one O(8), and one F(3) atom. In the fourth P site, P(4) is bonded to one H(4), one O(13), one O(14), one O(4), and one O(6) atom to form distorted corner-sharing PHO4 trigonal bipyramids. There are six inequivalent H sites. In the first H site, H(1) is bonded in a distorted bent 150 degrees geometry to one K(3), one O(1), and one O(5) atom. In the second H site, H(2) is bonded in a distorted bent 150 degrees geometry to one K(1), one O(15), and one O(2) atom. In the third H site, H(3) is bonded in a 2-coordinate geometry to one K(1), one K(3), and one Fe(2) atom. In the fourth H site, H(4) is bonded in a distorted water-like geometry to one K(2) and one P(4) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one K(3) and one O(12) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one K(1) and one O(16) atom. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Fe(2), one H(1), and one O(7) atom. In the second O site, O(2) is bonded in a single-bond geometry to one K(1), one K(2), one K(3), and one H(2) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Fe(2) and one P(2) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one P(2) and one P(4) atom. In the fifth O site, O(5) is bonded in a single-bond geometry to one K(1), one K(3), and one H(1) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one K(1), one K(3), and one P(4) atom. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to one K(1), one K(4), one Fe(1), and one O(1) atom. In the eighth O site, O(8) is bonded in a distorted bent 150 degrees geometry to one Fe(1) and one P(3) atom. In the ninth O site, O(9) is bonded in a distorted single-bond geometry to one K(2), one K(4), one P(2), and one O(14) atom. In the tenth O site, O(10) is bonded in a distorted single-bond geometry to one P(1) atom. In the eleventh O site, O(11) is bonded in a distorted bent 150 degrees geometry to one Fe(2), one P(1), and one P(3) atom. In the twelfth O site, O(12) is bonded in a distorted single-bond geometry to one K(2), one K(3), one Fe(2), and one H(5) atom. In the thirteenth O site, O(13) is bonded in a 2-coordinate geometry to one K(1), one Fe(1), one P(1), and one P(4) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one K(2), one P(4), and one O(9) atom. In the fifteenth O site, O(15) is bonded in a distorted water-like geometry to one K(1), one K(3), one P(1), and one H(2) atom. In the sixteenth O site, O(16) is bonded in a single-bond geometry to one K(1), one K(2), one K(4), and one H(6) atom. There are four inequivalent F sites. In the first F site, F(1) is bonded in a 3-coordinate geometry to one K(3), one Fe(1), and one P(1) atom. In the second F site, F(2) is bonded in a 3-coordinate geometry to one K(1), one K(4), and one Fe(2) atom. In the third F site, F(3) is bonded in a distorted water-like geometry to one K(4) and one P(3) atom. In the fourth F site, F(4) is bonded in a 3-coordinate geometry to one K(2), one K(3), and one Fe(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_K2FeP2H3(O4F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.247
_cell_length_b   7.239
_cell_length_c   7.534
_cell_angle_alpha   92.787
_cell_angle_beta   87.248
_cell_angle_gamma   91.617
_symmetry_Int_Tables_number   1
_cell_volume   394.217
_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
  K  K0  1  0.628  0.759  0.620  1.0
  K  K1  1  0.315  0.318  0.894  1.0
  K  K2  1  0.613  0.559  0.022  1.0
  K  K3  1  0.407  0.082  0.532  1.0
  Fe  Fe4  1  0.156  0.751  0.287  1.0
  Fe  Fe5  1  0.736  0.014  0.137  1.0
  P  P6  1  0.822  0.447  0.382  1.0
  P  P7  1  0.934  0.014  0.762  1.0
  P  P8  1  0.135  0.195  0.230  1.0
  P  P9  1  0.034  0.615  0.705  1.0
  H  H10  1  0.374  0.811  0.039  1.0
  H  H11  1  0.539  0.436  0.520  1.0
  H  H12  1  0.684  0.876  0.971  1.0
  H  H13  1  0.226  0.590  0.680  1.0
  H  H14  1  0.539  0.273  0.200  1.0
  H  H15  1  0.546  0.974  0.905  1.0
  O  O16  1  0.449  0.891  0.211  1.0
  O  O17  1  0.581  0.387  0.640  1.0
  O  O18  1  0.958  0.035  0.973  1.0
  O  O19  1  0.081  0.851  0.675  1.0
  O  O20  1  0.356  0.788  0.904  1.0
  O  O21  1  0.891  0.646  0.850  1.0
  O  O22  1  0.402  0.782  0.363  1.0
  O  O23  1  0.107  0.008  0.316  1.0
  O  O24  1  0.073  0.190  0.686  1.0
  O  O25  1  0.752  0.308  0.553  1.0
  O  O26  1  0.923  0.280  0.282  1.0
  O  O27  1  0.592  0.217  0.089  1.0
  O  O28  1  0.965  0.582  0.499  1.0
  O  O29  1  0.999  0.372  0.781  1.0
  O  O30  1  0.625  0.498  0.349  1.0
  O  O31  1  0.421  0.969  0.846  1.0
  F  F32  1  0.900  0.594  0.215  1.0
  F  F33  1  0.754  0.946  0.370  1.0
  F  F34  1  0.239  0.325  0.391  1.0
  F  F35  1  0.242  0.564  0.121  1.0
[/CIF]
.