The material structure described by Li2Mn2P4H3O16 crystallizes in the triclinic P1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 5-coordinate geometry to one O(1), one O(10), one O(11), one O(5), and one O(6) atom. In the second Li site, Li(2) is bonded in a 5-coordinate geometry to one O(11), one O(12), one O(16), one O(6), and one O(7) atom. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(10), one O(15), one O(2), one O(7), one O(8), and one O(9) atom to form MnO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(4)O4 tetrahedra. In the second Mn site, Mn(2) is bonded to one O(1), one O(12), one O(14), one O(16), one O(3), and one O(5) atom to form MnO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(15), one O(16), one O(4), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(2)O6 octahedra and corners with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-50°. In the second P site, P(2) is bonded to one O(12), one O(3), one O(6), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra and corners with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 29-48°. In the third P site, P(3) is bonded to one O(11), one O(14), one O(5), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra and corners with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-48°. In the fourth P site, P(4) is bonded to one O(1), one O(10), one O(13), and one O(2) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(2)O6 octahedra and corners with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 17-52°. There are three inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(4) atom. In the second H site, H(2) is bonded in a bent 150 degrees geometry to one O(13) and one O(9) atom. In the third H site, H(3) is bonded in a linear geometry to one O(11) and one O(6) atom. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Li(1), one Mn(2), and one P(4) atom. In the second O site, O(2) is bonded in a linear geometry to one Mn(1) and one P(4) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Mn(2) 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 H(1) atom. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Li(1), one Mn(2), and one P(3) atom. In the sixth O site, O(6) is bonded in a distorted trigonal pyramidal geometry to one Li(1), one Li(2), one P(2), and one H(3) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Li(2), one Mn(1), and one P(1) atom. In the eighth O site, O(8) is bonded in a distorted bent 150 degrees geometry to one Mn(1) and one P(3) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Mn(1), one P(2), and one H(2) atom. In the tenth O site, O(10) is bonded in a trigonal planar geometry to one Li(1), one Mn(1), and one P(4) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one P(3), and one H(3) atom. In the twelfth O site, O(12) is bonded in a distorted T-shaped geometry to one Li(2), one Mn(2), and one P(2) atom. In the thirteenth O site, O(13) is bonded in a distorted bent 120 degrees geometry to one P(4) and one H(2) atom. In the fourteenth O site, O(14) is bonded in a bent 120 degrees geometry to one Mn(2) and one P(3) atom. In the fifteenth O site, O(15) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(1) atom. In the sixteenth O site, O(16) is bonded in a distorted trigonal non-coplanar geometry to one Li(2), one Mn(2), and one P(1) atom. is represented by the CIF card [CIF]
data_Li2Mn2P4H3O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.864
_cell_length_b   8.218
_cell_length_c   7.391
_cell_angle_alpha   87.878
_cell_angle_beta   104.443
_cell_angle_gamma   89.832
_symmetry_Int_Tables_number   1
_cell_volume   285.904
_cell_formula_units_Z   1
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  0.390  0.860  0.849  1.0
  Li  Li1  1  0.585  0.134  0.143  1.0
  Mn  Mn2  1  0.497  0.497  0.001  1.0
  Mn  Mn3  1  0.992  0.001  0.498  1.0
  P  P4  1  0.114  0.342  0.266  1.0
  P  P5  1  0.373  0.850  0.250  1.0
  P  P6  1  0.619  0.149  0.752  1.0
  P  P7  1  0.874  0.655  0.738  1.0
  H  H8  1  0.428  0.456  0.503  1.0
  H  H9  1  0.674  0.621  0.425  1.0
  H  H10  1  0.957  1.000  0.982  1.0
  O  O11  1  0.971  0.828  0.688  1.0
  O  O12  1  0.127  0.558  0.853  1.0
  O  O13  1  0.158  0.838  0.374  1.0
  O  O14  1  0.230  0.417  0.460  1.0
  O  O15  1  0.363  0.041  0.659  1.0
  O  O16  1  0.247  0.934  0.058  1.0
  O  O17  1  0.345  0.327  0.155  1.0
  O  O18  1  0.544  0.313  0.811  1.0
  O  O19  1  0.488  0.678  0.233  1.0
  O  O20  1  0.650  0.672  0.855  1.0
  O  O21  1  0.746  0.041  0.940  1.0
  O  O22  1  0.620  0.966  0.344  1.0
  O  O23  1  0.735  0.563  0.556  1.0
  O  O24  1  0.834  0.162  0.630  1.0
  O  O25  1  0.865  0.447  0.157  1.0
  O  O26  1  0.004  0.168  0.301  1.0
[/CIF]
.
The material structure described by Li2Mn2P4H3O16 crystallizes in the triclinic P1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 5-coordinate geometry to one O(1), one O(10), one O(11), one O(5), and one O(6) atom. In the second Li site, Li(2) is bonded in a 5-coordinate geometry to one O(11), one O(12), one O(16), one O(6), and one O(7) atom. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(10), one O(15), one O(2), one O(7), one O(8), and one O(9) atom to form MnO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(4)O4 tetrahedra. In the second Mn site, Mn(2) is bonded to one O(1), one O(12), one O(14), one O(16), one O(3), and one O(5) atom to form MnO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(15), one O(16), one O(4), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(2)O6 octahedra and corners with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-50°. In the second P site, P(2) is bonded to one O(12), one O(3), one O(6), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra and corners with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 29-48°. In the third P site, P(3) is bonded to one O(11), one O(14), one O(5), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra and corners with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-48°. In the fourth P site, P(4) is bonded to one O(1), one O(10), one O(13), and one O(2) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(2)O6 octahedra and corners with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 17-52°. There are three inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(4) atom. In the second H site, H(2) is bonded in a bent 150 degrees geometry to one O(13) and one O(9) atom. In the third H site, H(3) is bonded in a linear geometry to one O(11) and one O(6) atom. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Li(1), one Mn(2), and one P(4) atom. In the second O site, O(2) is bonded in a linear geometry to one Mn(1) and one P(4) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Mn(2) 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 H(1) atom. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Li(1), one Mn(2), and one P(3) atom. In the sixth O site, O(6) is bonded in a distorted trigonal pyramidal geometry to one Li(1), one Li(2), one P(2), and one H(3) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Li(2), one Mn(1), and one P(1) atom. In the eighth O site, O(8) is bonded in a distorted bent 150 degrees geometry to one Mn(1) and one P(3) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Mn(1), one P(2), and one H(2) atom. In the tenth O site, O(10) is bonded in a trigonal planar geometry to one Li(1), one Mn(1), and one P(4) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one P(3), and one H(3) atom. In the twelfth O site, O(12) is bonded in a distorted T-shaped geometry to one Li(2), one Mn(2), and one P(2) atom. In the thirteenth O site, O(13) is bonded in a distorted bent 120 degrees geometry to one P(4) and one H(2) atom. In the fourteenth O site, O(14) is bonded in a bent 120 degrees geometry to one Mn(2) and one P(3) atom. In the fifteenth O site, O(15) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(1) atom. In the sixteenth O site, O(16) is bonded in a distorted trigonal non-coplanar geometry to one Li(2), one Mn(2), and one P(1) atom. is represented by the CIF card [CIF]
data_Li2Mn2P4H3O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.864
_cell_length_b   8.218
_cell_length_c   7.391
_cell_angle_alpha   87.878
_cell_angle_beta   104.443
_cell_angle_gamma   89.832
_symmetry_Int_Tables_number   1
_cell_volume   285.904
_cell_formula_units_Z   1
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  0.390  0.860  0.849  1.0
  Li  Li1  1  0.585  0.134  0.143  1.0
  Mn  Mn2  1  0.497  0.497  0.001  1.0
  Mn  Mn3  1  0.992  0.001  0.498  1.0
  P  P4  1  0.114  0.342  0.266  1.0
  P  P5  1  0.373  0.850  0.250  1.0
  P  P6  1  0.619  0.149  0.752  1.0
  P  P7  1  0.874  0.655  0.738  1.0
  H  H8  1  0.428  0.456  0.503  1.0
  H  H9  1  0.674  0.621  0.425  1.0
  H  H10  1  0.957  1.000  0.982  1.0
  O  O11  1  0.971  0.828  0.688  1.0
  O  O12  1  0.127  0.558  0.853  1.0
  O  O13  1  0.158  0.838  0.374  1.0
  O  O14  1  0.230  0.417  0.460  1.0
  O  O15  1  0.363  0.041  0.659  1.0
  O  O16  1  0.247  0.934  0.058  1.0
  O  O17  1  0.345  0.327  0.155  1.0
  O  O18  1  0.544  0.313  0.811  1.0
  O  O19  1  0.488  0.678  0.233  1.0
  O  O20  1  0.650  0.672  0.855  1.0
  O  O21  1  0.746  0.041  0.940  1.0
  O  O22  1  0.620  0.966  0.344  1.0
  O  O23  1  0.735  0.563  0.556  1.0
  O  O24  1  0.834  0.162  0.630  1.0
  O  O25  1  0.865  0.447  0.157  1.0
  O  O26  1  0.004  0.168  0.301  1.0
[/CIF]
.