The compound described by LiMn2P2H9O13 crystallizes in the orthorhombic Pba2 space group. Li(1) is bonded in a 4-coordinate geometry to two equivalent O(3) and two equivalent O(7) atoms. Mn(1) is bonded to one O(1), one O(2), one O(3), one O(5), one O(6), and one O(7) atom to form MnO6 octahedra that share  a cornercorner with one Mn(1)O6 octahedra and corners with three equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 54°. P(1) is bonded to one O(2), one O(4), one O(5), and one O(6) atom to form PO4 tetrahedra that share corners with three equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-56°. There are five inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(3) and one O(4) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(3) and one O(4) atom. In the fourth H site, H(4) is bonded in a distorted single-bond geometry to one O(4) and one O(7) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one O(7) atom. There are seven inequivalent O sites. In the first O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Mn(1) and one P(1) atom. In the second O site, O(6) is bonded in a bent 120 degrees geometry to one Mn(1) and one P(1) atom. In the third O site, O(7) is bonded in a distorted water-like geometry to one Li(1), one Mn(1), one H(4), and one H(5) atom. In the fourth O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Mn(1) and one H(1) atom. In the fifth O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Mn(1) and one P(1) atom. In the sixth O site, O(3) is bonded in a water-like geometry to one Li(1), one Mn(1), one H(2), and one H(3) atom. In the seventh O site, O(4) is bonded in a 4-coordinate geometry to one P(1), one H(2), one H(3), and one H(4) atom. is represented by the CIF card [CIF]
data_LiMn2P2H9O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.629
_cell_length_b   9.064
_cell_length_c   10.163
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   518.573
_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
  Li  Li0  1  0.128  0.000  0.000  1.0
  Li  Li1  1  0.128  0.500  0.500  1.0
  Mn  Mn2  1  0.052  0.152  0.604  1.0
  Mn  Mn3  1  0.052  0.348  0.104  1.0
  Mn  Mn4  1  0.052  0.652  0.896  1.0
  Mn  Mn5  1  0.052  0.848  0.396  1.0
  P  P6  1  0.785  0.149  0.320  1.0
  P  P7  1  0.785  0.351  0.820  1.0
  P  P8  1  0.785  0.649  0.180  1.0
  P  P9  1  0.785  0.851  0.680  1.0
  H  H10  1  0.384  0.000  0.500  1.0
  H  H11  1  0.360  0.980  0.751  1.0
  H  H12  1  0.393  0.150  0.789  1.0
  H  H13  1  0.438  0.193  0.131  1.0
  H  H14  1  0.440  0.242  0.978  1.0
  H  H15  1  0.440  0.258  0.478  1.0
  H  H16  1  0.438  0.307  0.631  1.0
  H  H17  1  0.393  0.350  0.289  1.0
  H  H18  1  0.360  0.520  0.251  1.0
  H  H19  1  0.384  0.500  0.000  1.0
  H  H20  1  0.360  0.480  0.749  1.0
  H  H21  1  0.393  0.650  0.711  1.0
  H  H22  1  0.438  0.693  0.369  1.0
  H  H23  1  0.440  0.742  0.522  1.0
  H  H24  1  0.440  0.758  0.022  1.0
  H  H25  1  0.438  0.807  0.869  1.0
  H  H26  1  0.393  0.850  0.211  1.0
  H  H27  1  0.360  0.020  0.249  1.0
  O  O28  1  0.209  0.000  0.500  1.0
  O  O29  1  0.795  0.021  0.655  1.0
  O  O30  1  0.272  0.070  0.781  1.0
  O  O31  1  0.522  0.183  0.282  1.0
  O  O32  1  0.953  0.180  0.200  1.0
  O  O33  1  0.855  0.239  0.441  1.0
  O  O34  1  0.336  0.205  0.049  1.0
  O  O35  1  0.336  0.295  0.549  1.0
  O  O36  1  0.855  0.261  0.941  1.0
  O  O37  1  0.953  0.320  0.700  1.0
  O  O38  1  0.522  0.317  0.782  1.0
  O  O39  1  0.272  0.430  0.281  1.0
  O  O40  1  0.795  0.479  0.155  1.0
  O  O41  1  0.209  0.500  0.000  1.0
  O  O42  1  0.795  0.521  0.845  1.0
  O  O43  1  0.272  0.570  0.719  1.0
  O  O44  1  0.522  0.683  0.218  1.0
  O  O45  1  0.953  0.680  0.300  1.0
  O  O46  1  0.855  0.739  0.059  1.0
  O  O47  1  0.336  0.705  0.451  1.0
  O  O48  1  0.336  0.795  0.951  1.0
  O  O49  1  0.855  0.761  0.559  1.0
  O  O50  1  0.953  0.820  0.800  1.0
  O  O51  1  0.522  0.817  0.718  1.0
  O  O52  1  0.272  0.930  0.219  1.0
  O  O53  1  0.795  0.979  0.345  1.0
[/CIF]
.
The compound described by LiMn2P2H9O13 crystallizes in the orthorhombic Pba2 space group. Li(1) is bonded in a 4-coordinate geometry to two equivalent O(3) and two equivalent O(7) atoms. Mn(1) is bonded to one O(1), one O(2), one O(3), one O(5), one O(6), and one O(7) atom to form MnO6 octahedra that share  a cornercorner with one Mn(1)O6 octahedra and corners with three equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 54°. P(1) is bonded to one O(2), one O(4), one O(5), and one O(6) atom to form PO4 tetrahedra that share corners with three equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-56°. There are five inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(3) and one O(4) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(3) and one O(4) atom. In the fourth H site, H(4) is bonded in a distorted single-bond geometry to one O(4) and one O(7) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one O(7) atom. There are seven inequivalent O sites. In the first O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Mn(1) and one P(1) atom. In the second O site, O(6) is bonded in a bent 120 degrees geometry to one Mn(1) and one P(1) atom. In the third O site, O(7) is bonded in a distorted water-like geometry to one Li(1), one Mn(1), one H(4), and one H(5) atom. In the fourth O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Mn(1) and one H(1) atom. In the fifth O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Mn(1) and one P(1) atom. In the sixth O site, O(3) is bonded in a water-like geometry to one Li(1), one Mn(1), one H(2), and one H(3) atom. In the seventh O site, O(4) is bonded in a 4-coordinate geometry to one P(1), one H(2), one H(3), and one H(4) atom. is represented by the CIF card [CIF]
data_LiMn2P2H9O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.629
_cell_length_b   9.064
_cell_length_c   10.163
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   518.573
_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
  Li  Li0  1  0.128  0.000  0.000  1.0
  Li  Li1  1  0.128  0.500  0.500  1.0
  Mn  Mn2  1  0.052  0.152  0.604  1.0
  Mn  Mn3  1  0.052  0.348  0.104  1.0
  Mn  Mn4  1  0.052  0.652  0.896  1.0
  Mn  Mn5  1  0.052  0.848  0.396  1.0
  P  P6  1  0.785  0.149  0.320  1.0
  P  P7  1  0.785  0.351  0.820  1.0
  P  P8  1  0.785  0.649  0.180  1.0
  P  P9  1  0.785  0.851  0.680  1.0
  H  H10  1  0.384  0.000  0.500  1.0
  H  H11  1  0.360  0.980  0.751  1.0
  H  H12  1  0.393  0.150  0.789  1.0
  H  H13  1  0.438  0.193  0.131  1.0
  H  H14  1  0.440  0.242  0.978  1.0
  H  H15  1  0.440  0.258  0.478  1.0
  H  H16  1  0.438  0.307  0.631  1.0
  H  H17  1  0.393  0.350  0.289  1.0
  H  H18  1  0.360  0.520  0.251  1.0
  H  H19  1  0.384  0.500  0.000  1.0
  H  H20  1  0.360  0.480  0.749  1.0
  H  H21  1  0.393  0.650  0.711  1.0
  H  H22  1  0.438  0.693  0.369  1.0
  H  H23  1  0.440  0.742  0.522  1.0
  H  H24  1  0.440  0.758  0.022  1.0
  H  H25  1  0.438  0.807  0.869  1.0
  H  H26  1  0.393  0.850  0.211  1.0
  H  H27  1  0.360  0.020  0.249  1.0
  O  O28  1  0.209  0.000  0.500  1.0
  O  O29  1  0.795  0.021  0.655  1.0
  O  O30  1  0.272  0.070  0.781  1.0
  O  O31  1  0.522  0.183  0.282  1.0
  O  O32  1  0.953  0.180  0.200  1.0
  O  O33  1  0.855  0.239  0.441  1.0
  O  O34  1  0.336  0.205  0.049  1.0
  O  O35  1  0.336  0.295  0.549  1.0
  O  O36  1  0.855  0.261  0.941  1.0
  O  O37  1  0.953  0.320  0.700  1.0
  O  O38  1  0.522  0.317  0.782  1.0
  O  O39  1  0.272  0.430  0.281  1.0
  O  O40  1  0.795  0.479  0.155  1.0
  O  O41  1  0.209  0.500  0.000  1.0
  O  O42  1  0.795  0.521  0.845  1.0
  O  O43  1  0.272  0.570  0.719  1.0
  O  O44  1  0.522  0.683  0.218  1.0
  O  O45  1  0.953  0.680  0.300  1.0
  O  O46  1  0.855  0.739  0.059  1.0
  O  O47  1  0.336  0.705  0.451  1.0
  O  O48  1  0.336  0.795  0.951  1.0
  O  O49  1  0.855  0.761  0.559  1.0
  O  O50  1  0.953  0.820  0.800  1.0
  O  O51  1  0.522  0.817  0.718  1.0
  O  O52  1  0.272  0.930  0.219  1.0
  O  O53  1  0.795  0.979  0.345  1.0
[/CIF]
.