The material described by K2GaP2H3(O4F)2 crystallizes in the monoclinic P2_1 space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 7-coordinate geometry to one O(1), one O(4), one O(6), one O(7), one O(8), and two equivalent F(1) atoms. In the second K site, K(2) is bonded in a 7-coordinate geometry to one O(2), one O(3), one O(5), one O(7), one O(8), and two equivalent F(2) atoms. Ga(1) is bonded to one O(1), one O(2), one O(5), one O(6), one F(1), and one F(2) atom to form GaO4F2 octahedra that share corners with two equivalent P(1)O4 tetrahedra and corners with two equivalent P(2)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(3), one O(5), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent Ga(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 45-48°. In the second P site, P(2) is bonded to one O(2), one O(4), one O(6), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Ga(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 44-46°. There are three inequivalent H sites. In the first H site, H(1) is bonded in a distorted single-bond geometry to one O(3) and one F(2) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(4) and one F(1) atom. In the third H site, H(3) is bonded in a linear geometry to one O(7) and one O(8) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one K(1), one Ga(1), and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one K(2), one Ga(1), and one P(2) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one K(2), one P(1), and one H(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one K(1), one P(2), and one H(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one K(2), one Ga(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one K(1), one Ga(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to one K(1), one K(2), one P(1), and one H(3) atom. In the eighth O site, O(8) is bonded in a distorted bent 120 degrees geometry to one K(1), one K(2), one P(2), and one H(3) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded in a distorted single-bond geometry to two equivalent K(1), one Ga(1), and one H(2) atom. In the second F site, F(2) is bonded in a 4-coordinate geometry to two equivalent K(2), one Ga(1), and one H(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_K2GaP2H3(O4F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.393
_cell_length_b   4.796
_cell_length_c   11.009
_cell_angle_alpha   86.441
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   442.302
_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  0.599  0.491  0.579  1.0
  K  K1  1  0.099  0.509  0.421  1.0
  K  K2  1  0.398  0.501  0.916  1.0
  K  K3  1  0.898  0.499  0.084  1.0
  Ga  Ga4  1  0.004  0.499  0.750  1.0
  Ga  Ga5  1  0.504  0.501  0.250  1.0
  P  P6  1  0.768  0.985  0.836  1.0
  P  P7  1  0.268  0.015  0.164  1.0
  P  P8  1  0.242  0.014  0.667  1.0
  P  P9  1  0.742  0.986  0.333  1.0
  H  H10  1  0.660  0.952  0.023  1.0
  H  H11  1  0.160  0.048  0.977  1.0
  H  H12  1  0.341  0.044  0.478  1.0
  H  H13  1  0.841  0.956  0.522  1.0
  H  H14  1  0.516  0.979  0.753  1.0
  H  H15  1  0.016  0.021  0.247  1.0
  O  O16  1  0.813  0.247  0.758  1.0
  O  O17  1  0.313  0.753  0.242  1.0
  O  O18  1  0.191  0.751  0.744  1.0
  O  O19  1  0.691  0.249  0.256  1.0
  O  O20  1  0.712  0.095  0.964  1.0
  O  O21  1  0.212  0.905  0.036  1.0
  O  O22  1  0.287  0.903  0.536  1.0
  O  O23  1  0.787  0.097  0.464  1.0
  O  O24  1  0.896  0.763  0.859  1.0
  O  O25  1  0.396  0.237  0.141  1.0
  O  O26  1  0.112  0.236  0.645  1.0
  O  O27  1  0.612  0.764  0.355  1.0
  O  O28  1  0.619  0.842  0.779  1.0
  O  O29  1  0.119  0.158  0.221  1.0
  O  O30  1  0.394  0.140  0.721  1.0
  O  O31  1  0.894  0.860  0.279  1.0
  F  F32  1  0.908  0.679  0.604  1.0
  F  F33  1  0.408  0.321  0.396  1.0
  F  F34  1  0.091  0.316  0.899  1.0
  F  F35  1  0.591  0.684  0.101  1.0
[/CIF]
.
The material described by K2GaP2H3(O4F)2 crystallizes in the monoclinic P2_1 space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 7-coordinate geometry to one O(1), one O(4), one O(6), one O(7), one O(8), and two equivalent F(1) atoms. In the second K site, K(2) is bonded in a 7-coordinate geometry to one O(2), one O(3), one O(5), one O(7), one O(8), and two equivalent F(2) atoms. Ga(1) is bonded to one O(1), one O(2), one O(5), one O(6), one F(1), and one F(2) atom to form GaO4F2 octahedra that share corners with two equivalent P(1)O4 tetrahedra and corners with two equivalent P(2)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(3), one O(5), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent Ga(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 45-48°. In the second P site, P(2) is bonded to one O(2), one O(4), one O(6), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Ga(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 44-46°. There are three inequivalent H sites. In the first H site, H(1) is bonded in a distorted single-bond geometry to one O(3) and one F(2) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(4) and one F(1) atom. In the third H site, H(3) is bonded in a linear geometry to one O(7) and one O(8) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one K(1), one Ga(1), and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one K(2), one Ga(1), and one P(2) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one K(2), one P(1), and one H(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one K(1), one P(2), and one H(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one K(2), one Ga(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one K(1), one Ga(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to one K(1), one K(2), one P(1), and one H(3) atom. In the eighth O site, O(8) is bonded in a distorted bent 120 degrees geometry to one K(1), one K(2), one P(2), and one H(3) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded in a distorted single-bond geometry to two equivalent K(1), one Ga(1), and one H(2) atom. In the second F site, F(2) is bonded in a 4-coordinate geometry to two equivalent K(2), one Ga(1), and one H(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_K2GaP2H3(O4F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.393
_cell_length_b   4.796
_cell_length_c   11.009
_cell_angle_alpha   86.441
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   442.302
_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  0.599  0.491  0.579  1.0
  K  K1  1  0.099  0.509  0.421  1.0
  K  K2  1  0.398  0.501  0.916  1.0
  K  K3  1  0.898  0.499  0.084  1.0
  Ga  Ga4  1  0.004  0.499  0.750  1.0
  Ga  Ga5  1  0.504  0.501  0.250  1.0
  P  P6  1  0.768  0.985  0.836  1.0
  P  P7  1  0.268  0.015  0.164  1.0
  P  P8  1  0.242  0.014  0.667  1.0
  P  P9  1  0.742  0.986  0.333  1.0
  H  H10  1  0.660  0.952  0.023  1.0
  H  H11  1  0.160  0.048  0.977  1.0
  H  H12  1  0.341  0.044  0.478  1.0
  H  H13  1  0.841  0.956  0.522  1.0
  H  H14  1  0.516  0.979  0.753  1.0
  H  H15  1  0.016  0.021  0.247  1.0
  O  O16  1  0.813  0.247  0.758  1.0
  O  O17  1  0.313  0.753  0.242  1.0
  O  O18  1  0.191  0.751  0.744  1.0
  O  O19  1  0.691  0.249  0.256  1.0
  O  O20  1  0.712  0.095  0.964  1.0
  O  O21  1  0.212  0.905  0.036  1.0
  O  O22  1  0.287  0.903  0.536  1.0
  O  O23  1  0.787  0.097  0.464  1.0
  O  O24  1  0.896  0.763  0.859  1.0
  O  O25  1  0.396  0.237  0.141  1.0
  O  O26  1  0.112  0.236  0.645  1.0
  O  O27  1  0.612  0.764  0.355  1.0
  O  O28  1  0.619  0.842  0.779  1.0
  O  O29  1  0.119  0.158  0.221  1.0
  O  O30  1  0.394  0.140  0.721  1.0
  O  O31  1  0.894  0.860  0.279  1.0
  F  F32  1  0.908  0.679  0.604  1.0
  F  F33  1  0.408  0.321  0.396  1.0
  F  F34  1  0.091  0.316  0.899  1.0
  F  F35  1  0.591  0.684  0.101  1.0
[/CIF]
.