The material structure described by KMgP(H6O5)2 crystallizes in the orthorhombic Pmn2_1 space group. K(1) is bonded in a 5-coordinate geometry to one O(1), two equivalent O(6), and two equivalent O(7) atoms. Mg(1) is bonded in an octahedral geometry to one O(4), one O(5), two equivalent O(6), and two equivalent O(7) atoms. P(1) is bonded in a tetrahedral geometry to one O(1), one O(2), and two equivalent O(3) atoms. There are seven inequivalent H sites. In the first H site, H(1) is bonded in a linear geometry to one O(2) and one O(4) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(4) atom. In the third H site, H(3) is bonded in a distorted single-bond geometry to one O(3) and one O(5) atom. In the fourth H site, H(4) is bonded in a distorted single-bond geometry to one O(3) and one O(6) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one O(1) and one O(6) atom. In the sixth H site, H(6) is bonded in a distorted linear geometry to one O(3) and one O(7) atom. In the seventh H site, H(7) is bonded in a linear geometry to one O(2) and one O(7) atom. There are seven inequivalent O sites. In the first O site, O(2) is bonded to one P(1), one H(1), and two equivalent H(7) atoms to form distorted corner-sharing OPH3 tetrahedra. In the second O site, O(3) is bonded to one P(1), one H(3), one H(4), and one H(6) atom to form distorted corner-sharing OPH3 tetrahedra. In the third O site, O(4) is bonded in a distorted trigonal planar geometry to one Mg(1), one H(1), and one H(2) atom. In the fourth O site, O(5) is bonded in a distorted water-like geometry to one Mg(1) and two equivalent H(3) atoms. In the fifth O site, O(6) is bonded in a distorted water-like geometry to one K(1), one Mg(1), one H(4), and one H(5) atom. In the sixth O site, O(7) is bonded in a 3-coordinate geometry to one K(1), one Mg(1), one H(6), and one H(7) atom. In the seventh O site, O(1) is bonded in a distorted single-bond geometry to one K(1), one P(1), and two equivalent H(5) atoms. is represented by the CIF card [CIF]
data_KMgP(H6O5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.161
_cell_length_b   6.955
_cell_length_c   11.191
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   479.515
_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  0.633  0.500  0.493  1.0
  K  K1  1  0.367  0.000  0.993  1.0
  Mg  Mg2  1  0.614  0.500  0.147  1.0
  Mg  Mg3  1  0.386  0.000  0.647  1.0
  P  P4  1  0.005  0.500  0.772  1.0
  P  P5  1  0.995  0.000  0.272  1.0
  H  H6  1  0.276  0.500  0.973  1.0
  H  H7  1  0.724  0.000  0.473  1.0
  H  H8  1  0.831  0.000  0.603  1.0
  H  H9  1  0.169  0.500  0.103  1.0
  H  H10  1  0.003  0.883  0.769  1.0
  H  H11  1  0.003  0.117  0.769  1.0
  H  H12  1  0.997  0.617  0.269  1.0
  H  H13  1  0.997  0.383  0.269  1.0
  H  H14  1  0.788  0.701  0.955  1.0
  H  H15  1  0.788  0.299  0.955  1.0
  H  H16  1  0.212  0.799  0.455  1.0
  H  H17  1  0.212  0.201  0.455  1.0
  H  H18  1  0.179  0.678  0.576  1.0
  H  H19  1  0.179  0.322  0.576  1.0
  H  H20  1  0.821  0.822  0.076  1.0
  H  H21  1  0.821  0.178  0.076  1.0
  H  H22  1  0.637  0.745  0.779  1.0
  H  H23  1  0.637  0.255  0.779  1.0
  H  H24  1  0.363  0.755  0.279  1.0
  H  H25  1  0.363  0.245  0.279  1.0
  H  H26  1  0.388  0.676  0.788  1.0
  H  H27  1  0.388  0.324  0.788  1.0
  H  H28  1  0.612  0.824  0.288  1.0
  H  H29  1  0.612  0.176  0.288  1.0
  O  O30  1  0.025  0.500  0.634  1.0
  O  O31  1  0.975  0.000  0.134  1.0
  O  O32  1  0.238  0.500  0.829  1.0
  O  O33  1  0.762  0.000  0.329  1.0
  O  O34  1  0.884  0.683  0.816  1.0
  O  O35  1  0.884  0.317  0.816  1.0
  O  O36  1  0.116  0.817  0.316  1.0
  O  O37  1  0.116  0.183  0.316  1.0
  O  O38  1  0.691  0.000  0.561  1.0
  O  O39  1  0.309  0.500  0.061  1.0
  O  O40  1  0.066  0.000  0.729  1.0
  O  O41  1  0.934  0.500  0.229  1.0
  O  O42  1  0.723  0.726  0.036  1.0
  O  O43  1  0.723  0.274  0.036  1.0
  O  O44  1  0.277  0.774  0.536  1.0
  O  O45  1  0.277  0.226  0.536  1.0
  O  O46  1  0.483  0.789  0.767  1.0
  O  O47  1  0.483  0.211  0.767  1.0
  O  O48  1  0.517  0.711  0.267  1.0
  O  O49  1  0.517  0.289  0.267  1.0
[/CIF]
.
The material structure described by KMgP(H6O5)2 crystallizes in the orthorhombic Pmn2_1 space group. K(1) is bonded in a 5-coordinate geometry to one O(1), two equivalent O(6), and two equivalent O(7) atoms. Mg(1) is bonded in an octahedral geometry to one O(4), one O(5), two equivalent O(6), and two equivalent O(7) atoms. P(1) is bonded in a tetrahedral geometry to one O(1), one O(2), and two equivalent O(3) atoms. There are seven inequivalent H sites. In the first H site, H(1) is bonded in a linear geometry to one O(2) and one O(4) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(4) atom. In the third H site, H(3) is bonded in a distorted single-bond geometry to one O(3) and one O(5) atom. In the fourth H site, H(4) is bonded in a distorted single-bond geometry to one O(3) and one O(6) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one O(1) and one O(6) atom. In the sixth H site, H(6) is bonded in a distorted linear geometry to one O(3) and one O(7) atom. In the seventh H site, H(7) is bonded in a linear geometry to one O(2) and one O(7) atom. There are seven inequivalent O sites. In the first O site, O(2) is bonded to one P(1), one H(1), and two equivalent H(7) atoms to form distorted corner-sharing OPH3 tetrahedra. In the second O site, O(3) is bonded to one P(1), one H(3), one H(4), and one H(6) atom to form distorted corner-sharing OPH3 tetrahedra. In the third O site, O(4) is bonded in a distorted trigonal planar geometry to one Mg(1), one H(1), and one H(2) atom. In the fourth O site, O(5) is bonded in a distorted water-like geometry to one Mg(1) and two equivalent H(3) atoms. In the fifth O site, O(6) is bonded in a distorted water-like geometry to one K(1), one Mg(1), one H(4), and one H(5) atom. In the sixth O site, O(7) is bonded in a 3-coordinate geometry to one K(1), one Mg(1), one H(6), and one H(7) atom. In the seventh O site, O(1) is bonded in a distorted single-bond geometry to one K(1), one P(1), and two equivalent H(5) atoms. is represented by the CIF card [CIF]
data_KMgP(H6O5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.161
_cell_length_b   6.955
_cell_length_c   11.191
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   479.515
_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  0.633  0.500  0.493  1.0
  K  K1  1  0.367  0.000  0.993  1.0
  Mg  Mg2  1  0.614  0.500  0.147  1.0
  Mg  Mg3  1  0.386  0.000  0.647  1.0
  P  P4  1  0.005  0.500  0.772  1.0
  P  P5  1  0.995  0.000  0.272  1.0
  H  H6  1  0.276  0.500  0.973  1.0
  H  H7  1  0.724  0.000  0.473  1.0
  H  H8  1  0.831  0.000  0.603  1.0
  H  H9  1  0.169  0.500  0.103  1.0
  H  H10  1  0.003  0.883  0.769  1.0
  H  H11  1  0.003  0.117  0.769  1.0
  H  H12  1  0.997  0.617  0.269  1.0
  H  H13  1  0.997  0.383  0.269  1.0
  H  H14  1  0.788  0.701  0.955  1.0
  H  H15  1  0.788  0.299  0.955  1.0
  H  H16  1  0.212  0.799  0.455  1.0
  H  H17  1  0.212  0.201  0.455  1.0
  H  H18  1  0.179  0.678  0.576  1.0
  H  H19  1  0.179  0.322  0.576  1.0
  H  H20  1  0.821  0.822  0.076  1.0
  H  H21  1  0.821  0.178  0.076  1.0
  H  H22  1  0.637  0.745  0.779  1.0
  H  H23  1  0.637  0.255  0.779  1.0
  H  H24  1  0.363  0.755  0.279  1.0
  H  H25  1  0.363  0.245  0.279  1.0
  H  H26  1  0.388  0.676  0.788  1.0
  H  H27  1  0.388  0.324  0.788  1.0
  H  H28  1  0.612  0.824  0.288  1.0
  H  H29  1  0.612  0.176  0.288  1.0
  O  O30  1  0.025  0.500  0.634  1.0
  O  O31  1  0.975  0.000  0.134  1.0
  O  O32  1  0.238  0.500  0.829  1.0
  O  O33  1  0.762  0.000  0.329  1.0
  O  O34  1  0.884  0.683  0.816  1.0
  O  O35  1  0.884  0.317  0.816  1.0
  O  O36  1  0.116  0.817  0.316  1.0
  O  O37  1  0.116  0.183  0.316  1.0
  O  O38  1  0.691  0.000  0.561  1.0
  O  O39  1  0.309  0.500  0.061  1.0
  O  O40  1  0.066  0.000  0.729  1.0
  O  O41  1  0.934  0.500  0.229  1.0
  O  O42  1  0.723  0.726  0.036  1.0
  O  O43  1  0.723  0.274  0.036  1.0
  O  O44  1  0.277  0.774  0.536  1.0
  O  O45  1  0.277  0.226  0.536  1.0
  O  O46  1  0.483  0.789  0.767  1.0
  O  O47  1  0.483  0.211  0.767  1.0
  O  O48  1  0.517  0.711  0.267  1.0
  O  O49  1  0.517  0.289  0.267  1.0
[/CIF]
.