The structure described by KFeBP2HO9 crystallizes in the triclinic P-1 space group. K(1) is bonded in a 10-coordinate geometry to one O(2), one O(3), one O(6), one O(9), two equivalent O(1), two equivalent O(5), and two equivalent O(8) atoms. Fe(1) is bonded to one O(1), one O(3), one O(5), one O(7), one O(8), and one O(9) atom to form FeO6 octahedra that share  a cornercorner with one B(1)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with three equivalent P(2)O4 tetrahedra. B(1) is bonded to one O(2), one O(4), one O(6), and one O(7) atom to form BO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, and corners with two equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 48°. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(4), one O(6), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Fe(1)O6 octahedra and corners with two equivalent B(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 35-58°. In the second P site, P(2) is bonded to one O(2), one O(3), one O(5), and one O(9) atom to form PO4 tetrahedra that share corners with three equivalent Fe(1)O6 octahedra and  a cornercorner with one B(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 30-49°. H(1) is bonded in a single-bond geometry to one O(7) atom. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent K(1), one Fe(1), and one P(1) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one K(1), one B(1), and one P(2) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one K(1), one Fe(1), and one P(2) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one B(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to two equivalent K(1), one Fe(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one K(1), one B(1), and one P(1) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Fe(1), one B(1), and one H(1) atom. In the eighth O site, O(8) is bonded in a distorted bent 150 degrees geometry to two equivalent K(1), one Fe(1), and one P(1) atom. In the ninth O site, O(9) is bonded in a 2-coordinate geometry to one K(1), one Fe(1), and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_KFeBP2HO9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.170
_cell_length_b   8.110
_cell_length_c   8.350
_cell_angle_alpha   85.890
_cell_angle_beta   80.836
_cell_angle_gamma   86.196
_symmetry_Int_Tables_number   1
_cell_volume   344.202
_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  0.721  0.328  0.112  1.0
  K  K1  1  0.279  0.672  0.888  1.0
  Fe  Fe2  1  0.264  0.196  0.807  1.0
  Fe  Fe3  1  0.736  0.804  0.193  1.0
  B  B4  1  0.126  0.264  0.447  1.0
  B  B5  1  0.874  0.736  0.553  1.0
  P  P6  1  0.202  0.587  0.304  1.0
  P  P7  1  0.798  0.413  0.696  1.0
  P  P8  1  0.220  0.061  0.182  1.0
  P  P9  1  0.780  0.939  0.818  1.0
  H  H10  1  0.479  0.173  0.520  1.0
  H  H11  1  0.521  0.827  0.480  1.0
  O  O12  1  0.030  0.403  0.793  1.0
  O  O13  1  0.970  0.597  0.207  1.0
  O  O14  1  0.070  0.143  0.338  1.0
  O  O15  1  0.930  0.857  0.662  1.0
  O  O16  1  0.061  0.919  0.151  1.0
  O  O17  1  0.939  0.081  0.849  1.0
  O  O18  1  0.131  0.681  0.464  1.0
  O  O19  1  0.869  0.319  0.536  1.0
  O  O20  1  0.236  0.202  0.045  1.0
  O  O21  1  0.764  0.798  0.955  1.0
  O  O22  1  0.271  0.401  0.351  1.0
  O  O23  1  0.729  0.599  0.649  1.0
  O  O24  1  0.294  0.189  0.566  1.0
  O  O25  1  0.706  0.811  0.434  1.0
  O  O26  1  0.452  0.649  0.203  1.0
  O  O27  1  0.548  0.351  0.797  1.0
  O  O28  1  0.502  0.004  0.210  1.0
  O  O29  1  0.498  0.996  0.790  1.0
[/CIF]
.
The structure described by KFeBP2HO9 crystallizes in the triclinic P-1 space group. K(1) is bonded in a 10-coordinate geometry to one O(2), one O(3), one O(6), one O(9), two equivalent O(1), two equivalent O(5), and two equivalent O(8) atoms. Fe(1) is bonded to one O(1), one O(3), one O(5), one O(7), one O(8), and one O(9) atom to form FeO6 octahedra that share  a cornercorner with one B(1)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with three equivalent P(2)O4 tetrahedra. B(1) is bonded to one O(2), one O(4), one O(6), and one O(7) atom to form BO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, and corners with two equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 48°. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(4), one O(6), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Fe(1)O6 octahedra and corners with two equivalent B(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 35-58°. In the second P site, P(2) is bonded to one O(2), one O(3), one O(5), and one O(9) atom to form PO4 tetrahedra that share corners with three equivalent Fe(1)O6 octahedra and  a cornercorner with one B(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 30-49°. H(1) is bonded in a single-bond geometry to one O(7) atom. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent K(1), one Fe(1), and one P(1) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one K(1), one B(1), and one P(2) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one K(1), one Fe(1), and one P(2) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one B(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to two equivalent K(1), one Fe(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one K(1), one B(1), and one P(1) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Fe(1), one B(1), and one H(1) atom. In the eighth O site, O(8) is bonded in a distorted bent 150 degrees geometry to two equivalent K(1), one Fe(1), and one P(1) atom. In the ninth O site, O(9) is bonded in a 2-coordinate geometry to one K(1), one Fe(1), and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_KFeBP2HO9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.170
_cell_length_b   8.110
_cell_length_c   8.350
_cell_angle_alpha   85.890
_cell_angle_beta   80.836
_cell_angle_gamma   86.196
_symmetry_Int_Tables_number   1
_cell_volume   344.202
_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  0.721  0.328  0.112  1.0
  K  K1  1  0.279  0.672  0.888  1.0
  Fe  Fe2  1  0.264  0.196  0.807  1.0
  Fe  Fe3  1  0.736  0.804  0.193  1.0
  B  B4  1  0.126  0.264  0.447  1.0
  B  B5  1  0.874  0.736  0.553  1.0
  P  P6  1  0.202  0.587  0.304  1.0
  P  P7  1  0.798  0.413  0.696  1.0
  P  P8  1  0.220  0.061  0.182  1.0
  P  P9  1  0.780  0.939  0.818  1.0
  H  H10  1  0.479  0.173  0.520  1.0
  H  H11  1  0.521  0.827  0.480  1.0
  O  O12  1  0.030  0.403  0.793  1.0
  O  O13  1  0.970  0.597  0.207  1.0
  O  O14  1  0.070  0.143  0.338  1.0
  O  O15  1  0.930  0.857  0.662  1.0
  O  O16  1  0.061  0.919  0.151  1.0
  O  O17  1  0.939  0.081  0.849  1.0
  O  O18  1  0.131  0.681  0.464  1.0
  O  O19  1  0.869  0.319  0.536  1.0
  O  O20  1  0.236  0.202  0.045  1.0
  O  O21  1  0.764  0.798  0.955  1.0
  O  O22  1  0.271  0.401  0.351  1.0
  O  O23  1  0.729  0.599  0.649  1.0
  O  O24  1  0.294  0.189  0.566  1.0
  O  O25  1  0.706  0.811  0.434  1.0
  O  O26  1  0.452  0.649  0.203  1.0
  O  O27  1  0.548  0.351  0.797  1.0
  O  O28  1  0.502  0.004  0.210  1.0
  O  O29  1  0.498  0.996  0.790  1.0
[/CIF]
.