The compound described by LiMnP3H8O13 crystallizes in the triclinic P-1 space group. Li(1) is bonded in a 7-coordinate geometry to one O(1), one O(10), one O(2), one O(3), one O(5), one O(8), and one O(9) atom. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(2), two equivalent O(5), and two equivalent O(6) atoms to form MnO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra. In the second Mn site, Mn(2) is bonded to two equivalent O(10), two equivalent O(7), and two equivalent O(9) atoms to form MnO6 octahedra that share corners with two equivalent P(2)O4 tetrahedra and corners with two equivalent P(3)O4 tetrahedra. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(12), one O(4), and one O(5) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 54°. In the second P site, P(2) is bonded to one O(10), one O(11), one O(3), and one O(4) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 51°. In the third P site, P(3) is bonded to one O(11), one O(12), one O(13), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 48°. There are eight inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(2) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(7) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(13) and one O(2) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(6) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one O(7) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one O(8) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one O(8) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one O(6) atom. There are thirteen inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Li(1) and one P(1) atom. In the second O site, O(2) is bonded in a distorted water-like geometry to one Li(1), one Mn(1), one H(1), and one H(3) atom. In the third O site, O(3) is bonded in a linear geometry to one Li(1) and one P(2) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(1), one Mn(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted water-like geometry to one Mn(1), one H(4), and one H(8) atom. In the seventh O site, O(7) is bonded in a water-like geometry to one Mn(2), one H(2), and one H(5) atom. In the eighth O site, O(8) is bonded in a distorted water-like geometry to one Li(1), one H(6), and one H(7) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Li(1), one Mn(2), and one P(3) atom. In the tenth O site, O(10) is bonded in a 2-coordinate geometry to one Li(1), one Mn(2), and one P(2) atom. In the eleventh O site, O(11) is bonded in a bent 120 degrees geometry to one P(2) and one P(3) atom. In the twelfth O site, O(12) is bonded in a bent 120 degrees geometry to one P(1) and one P(3) atom. In the thirteenth O site, O(13) is bonded in a distorted single-bond geometry to one P(3) and one H(3) atom. is represented by the CIF card [CIF]
data_LiMnP3H8O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.362
_cell_length_b   7.828
_cell_length_c   10.140
_cell_angle_alpha   84.045
_cell_angle_beta   74.469
_cell_angle_gamma   76.644
_symmetry_Int_Tables_number   1
_cell_volume   547.196
_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  0.804  0.817  0.764  1.0
  Li  Li1  1  0.196  0.183  0.236  1.0
  Mn  Mn2  1  0.000  0.000  0.000  1.0
  Mn  Mn3  1  0.000  0.500  0.500  1.0
  P  P4  1  0.332  0.806  0.743  1.0
  P  P5  1  0.245  0.806  0.477  1.0
  P  P6  1  0.591  0.457  0.729  1.0
  P  P7  1  0.409  0.543  0.271  1.0
  P  P8  1  0.755  0.194  0.523  1.0
  P  P9  1  0.668  0.194  0.257  1.0
  H  H10  1  0.372  0.967  0.961  1.0
  H  H11  1  0.810  0.824  0.430  1.0
  H  H12  1  0.317  0.865  0.102  1.0
  H  H13  1  0.925  0.736  0.207  1.0
  H  H14  1  0.688  0.701  0.397  1.0
  H  H15  1  0.852  0.652  0.008  1.0
  H  H16  1  0.653  0.621  0.005  1.0
  H  H17  1  0.097  0.642  0.088  1.0
  H  H18  1  0.903  0.358  0.912  1.0
  H  H19  1  0.347  0.379  0.995  1.0
  H  H20  1  0.148  0.348  0.992  1.0
  H  H21  1  0.312  0.299  0.603  1.0
  H  H22  1  0.075  0.264  0.793  1.0
  H  H23  1  0.683  0.135  0.898  1.0
  H  H24  1  0.190  0.176  0.570  1.0
  H  H25  1  0.628  0.033  0.039  1.0
  O  O26  1  0.475  0.878  0.789  1.0
  O  O27  1  0.279  0.980  0.053  1.0
  O  O28  1  0.195  0.960  0.385  1.0
  O  O29  1  0.358  0.858  0.580  1.0
  O  O30  1  0.121  0.855  0.815  1.0
  O  O31  1  0.982  0.740  0.106  1.0
  O  O32  1  0.821  0.718  0.383  1.0
  O  O33  1  0.787  0.612  0.948  1.0
  O  O34  1  0.755  0.550  0.671  1.0
  O  O35  1  0.094  0.708  0.559  1.0
  O  O36  1  0.427  0.659  0.391  1.0
  O  O37  1  0.386  0.592  0.746  1.0
  O  O38  1  0.414  0.653  0.140  1.0
  O  O39  1  0.586  0.347  0.860  1.0
  O  O40  1  0.614  0.408  0.254  1.0
  O  O41  1  0.573  0.341  0.609  1.0
  O  O42  1  0.906  0.292  0.441  1.0
  O  O43  1  0.245  0.450  0.329  1.0
  O  O44  1  0.213  0.388  0.052  1.0
  O  O45  1  0.179  0.282  0.617  1.0
  O  O46  1  0.018  0.260  0.894  1.0
  O  O47  1  0.879  0.145  0.185  1.0
  O  O48  1  0.642  0.142  0.420  1.0
  O  O49  1  0.805  0.040  0.615  1.0
  O  O50  1  0.721  0.020  0.947  1.0
  O  O51  1  0.525  0.122  0.211  1.0
[/CIF]
.
The compound described by LiMnP3H8O13 crystallizes in the triclinic P-1 space group. Li(1) is bonded in a 7-coordinate geometry to one O(1), one O(10), one O(2), one O(3), one O(5), one O(8), and one O(9) atom. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(2), two equivalent O(5), and two equivalent O(6) atoms to form MnO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra. In the second Mn site, Mn(2) is bonded to two equivalent O(10), two equivalent O(7), and two equivalent O(9) atoms to form MnO6 octahedra that share corners with two equivalent P(2)O4 tetrahedra and corners with two equivalent P(3)O4 tetrahedra. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(12), one O(4), and one O(5) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 54°. In the second P site, P(2) is bonded to one O(10), one O(11), one O(3), and one O(4) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 51°. In the third P site, P(3) is bonded to one O(11), one O(12), one O(13), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 48°. There are eight inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(2) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(7) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(13) and one O(2) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(6) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one O(7) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one O(8) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one O(8) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one O(6) atom. There are thirteen inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Li(1) and one P(1) atom. In the second O site, O(2) is bonded in a distorted water-like geometry to one Li(1), one Mn(1), one H(1), and one H(3) atom. In the third O site, O(3) is bonded in a linear geometry to one Li(1) and one P(2) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(1), one Mn(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted water-like geometry to one Mn(1), one H(4), and one H(8) atom. In the seventh O site, O(7) is bonded in a water-like geometry to one Mn(2), one H(2), and one H(5) atom. In the eighth O site, O(8) is bonded in a distorted water-like geometry to one Li(1), one H(6), and one H(7) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Li(1), one Mn(2), and one P(3) atom. In the tenth O site, O(10) is bonded in a 2-coordinate geometry to one Li(1), one Mn(2), and one P(2) atom. In the eleventh O site, O(11) is bonded in a bent 120 degrees geometry to one P(2) and one P(3) atom. In the twelfth O site, O(12) is bonded in a bent 120 degrees geometry to one P(1) and one P(3) atom. In the thirteenth O site, O(13) is bonded in a distorted single-bond geometry to one P(3) and one H(3) atom. is represented by the CIF card [CIF]
data_LiMnP3H8O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.362
_cell_length_b   7.828
_cell_length_c   10.140
_cell_angle_alpha   84.045
_cell_angle_beta   74.469
_cell_angle_gamma   76.644
_symmetry_Int_Tables_number   1
_cell_volume   547.196
_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  0.804  0.817  0.764  1.0
  Li  Li1  1  0.196  0.183  0.236  1.0
  Mn  Mn2  1  0.000  0.000  0.000  1.0
  Mn  Mn3  1  0.000  0.500  0.500  1.0
  P  P4  1  0.332  0.806  0.743  1.0
  P  P5  1  0.245  0.806  0.477  1.0
  P  P6  1  0.591  0.457  0.729  1.0
  P  P7  1  0.409  0.543  0.271  1.0
  P  P8  1  0.755  0.194  0.523  1.0
  P  P9  1  0.668  0.194  0.257  1.0
  H  H10  1  0.372  0.967  0.961  1.0
  H  H11  1  0.810  0.824  0.430  1.0
  H  H12  1  0.317  0.865  0.102  1.0
  H  H13  1  0.925  0.736  0.207  1.0
  H  H14  1  0.688  0.701  0.397  1.0
  H  H15  1  0.852  0.652  0.008  1.0
  H  H16  1  0.653  0.621  0.005  1.0
  H  H17  1  0.097  0.642  0.088  1.0
  H  H18  1  0.903  0.358  0.912  1.0
  H  H19  1  0.347  0.379  0.995  1.0
  H  H20  1  0.148  0.348  0.992  1.0
  H  H21  1  0.312  0.299  0.603  1.0
  H  H22  1  0.075  0.264  0.793  1.0
  H  H23  1  0.683  0.135  0.898  1.0
  H  H24  1  0.190  0.176  0.570  1.0
  H  H25  1  0.628  0.033  0.039  1.0
  O  O26  1  0.475  0.878  0.789  1.0
  O  O27  1  0.279  0.980  0.053  1.0
  O  O28  1  0.195  0.960  0.385  1.0
  O  O29  1  0.358  0.858  0.580  1.0
  O  O30  1  0.121  0.855  0.815  1.0
  O  O31  1  0.982  0.740  0.106  1.0
  O  O32  1  0.821  0.718  0.383  1.0
  O  O33  1  0.787  0.612  0.948  1.0
  O  O34  1  0.755  0.550  0.671  1.0
  O  O35  1  0.094  0.708  0.559  1.0
  O  O36  1  0.427  0.659  0.391  1.0
  O  O37  1  0.386  0.592  0.746  1.0
  O  O38  1  0.414  0.653  0.140  1.0
  O  O39  1  0.586  0.347  0.860  1.0
  O  O40  1  0.614  0.408  0.254  1.0
  O  O41  1  0.573  0.341  0.609  1.0
  O  O42  1  0.906  0.292  0.441  1.0
  O  O43  1  0.245  0.450  0.329  1.0
  O  O44  1  0.213  0.388  0.052  1.0
  O  O45  1  0.179  0.282  0.617  1.0
  O  O46  1  0.018  0.260  0.894  1.0
  O  O47  1  0.879  0.145  0.185  1.0
  O  O48  1  0.642  0.142  0.420  1.0
  O  O49  1  0.805  0.040  0.615  1.0
  O  O50  1  0.721  0.020  0.947  1.0
  O  O51  1  0.525  0.122  0.211  1.0
[/CIF]
.