The material described by LiMn2P2(H2O5)2 crystallizes in the triclinic P1 space group. Li(1) is bonded to one O(1), one O(3), one O(6), and one O(7) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra, corners with three equivalent Mn(2)O6 octahedra, corners with two equivalent P(2)O4 tetrahedra, and  an edgeedge with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 60-80°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(10), one O(2), one O(4), one O(5), one O(7), and one O(9) atom to form MnO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 57-61°. In the second Mn site, Mn(2) is bonded to one O(1), one O(10), one O(3), one O(6), one O(8), and one O(9) atom to form MnO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with three equivalent Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 57-61°. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(5), and one O(6) atom to form PO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, and  an edgeedge with one Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 40-51°. In the second P site, P(2) is bonded to one O(3), one O(4), one O(7), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, and corners with two equivalent Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 43-55°. There are four inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(10) atom. In the second H site, H(2) is bonded in a distorted bent 150 degrees geometry to one O(10) and one O(6) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(9) atom. In the fourth H site, H(4) is bonded in a distorted linear geometry to one O(8) and one O(9) atom. There are ten 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(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(2), and one P(2) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Mn(1) and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Mn(1) and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted tetrahedral geometry to one Li(1), one Mn(2), one P(1), and one H(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Mn(1), and one P(2) atom. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Mn(2), one P(2), and one H(4) atom. In the ninth O site, O(9) is bonded in a distorted water-like geometry to one Mn(1), one Mn(2), one H(3), and one H(4) atom. In the tenth O site, O(10) is bonded in a distorted water-like geometry to one Mn(1), one Mn(2), one H(1), and one H(2) atom. is represented by the CIF card [CIF]
data_LiMn2P2(H2O5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.089
_cell_length_b   5.485
_cell_length_c   7.691
_cell_angle_alpha   103.581
_cell_angle_beta   104.396
_cell_angle_gamma   99.425
_symmetry_Int_Tables_number   1
_cell_volume   196.422
_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  0.095  0.384  0.920  1.0
  Mn  Mn1  1  0.991  0.493  0.497  1.0
  Mn  Mn2  1  0.513  0.005  0.003  1.0
  P  P3  1  0.419  0.569  0.254  1.0
  P  P4  1  0.577  0.443  0.748  1.0
  H  H5  1  0.882  0.943  0.300  1.0
  H  H6  1  0.072  0.135  0.220  1.0
  H  H7  1  0.119  0.025  0.681  1.0
  H  H8  1  0.925  0.853  0.774  1.0
  O  O9  1  0.331  0.716  0.110  1.0
  O  O10  1  0.293  0.636  0.418  1.0
  O  O11  1  0.688  0.302  0.893  1.0
  O  O12  1  0.687  0.351  0.578  1.0
  O  O13  1  0.745  0.646  0.335  1.0
  O  O14  1  0.309  0.275  0.144  1.0
  O  O15  1  0.246  0.360  0.684  1.0
  O  O16  1  0.676  0.738  0.831  1.0
  O  O17  1  0.108  0.883  0.740  1.0
  O  O18  1  0.900  0.106  0.263  1.0
[/CIF]
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The material described by LiMn2P2(H2O5)2 crystallizes in the triclinic P1 space group. Li(1) is bonded to one O(1), one O(3), one O(6), and one O(7) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra, corners with three equivalent Mn(2)O6 octahedra, corners with two equivalent P(2)O4 tetrahedra, and  an edgeedge with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 60-80°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(10), one O(2), one O(4), one O(5), one O(7), and one O(9) atom to form MnO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 57-61°. In the second Mn site, Mn(2) is bonded to one O(1), one O(10), one O(3), one O(6), one O(8), and one O(9) atom to form MnO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with three equivalent Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 57-61°. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(5), and one O(6) atom to form PO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, and  an edgeedge with one Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 40-51°. In the second P site, P(2) is bonded to one O(3), one O(4), one O(7), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, and corners with two equivalent Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 43-55°. There are four inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(10) atom. In the second H site, H(2) is bonded in a distorted bent 150 degrees geometry to one O(10) and one O(6) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(9) atom. In the fourth H site, H(4) is bonded in a distorted linear geometry to one O(8) and one O(9) atom. There are ten 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(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(2), and one P(2) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Mn(1) and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Mn(1) and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted tetrahedral geometry to one Li(1), one Mn(2), one P(1), and one H(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Mn(1), and one P(2) atom. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Mn(2), one P(2), and one H(4) atom. In the ninth O site, O(9) is bonded in a distorted water-like geometry to one Mn(1), one Mn(2), one H(3), and one H(4) atom. In the tenth O site, O(10) is bonded in a distorted water-like geometry to one Mn(1), one Mn(2), one H(1), and one H(2) atom. is represented by the CIF card [CIF]
data_LiMn2P2(H2O5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.089
_cell_length_b   5.485
_cell_length_c   7.691
_cell_angle_alpha   103.581
_cell_angle_beta   104.396
_cell_angle_gamma   99.425
_symmetry_Int_Tables_number   1
_cell_volume   196.422
_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  0.095  0.384  0.920  1.0
  Mn  Mn1  1  0.991  0.493  0.497  1.0
  Mn  Mn2  1  0.513  0.005  0.003  1.0
  P  P3  1  0.419  0.569  0.254  1.0
  P  P4  1  0.577  0.443  0.748  1.0
  H  H5  1  0.882  0.943  0.300  1.0
  H  H6  1  0.072  0.135  0.220  1.0
  H  H7  1  0.119  0.025  0.681  1.0
  H  H8  1  0.925  0.853  0.774  1.0
  O  O9  1  0.331  0.716  0.110  1.0
  O  O10  1  0.293  0.636  0.418  1.0
  O  O11  1  0.688  0.302  0.893  1.0
  O  O12  1  0.687  0.351  0.578  1.0
  O  O13  1  0.745  0.646  0.335  1.0
  O  O14  1  0.309  0.275  0.144  1.0
  O  O15  1  0.246  0.360  0.684  1.0
  O  O16  1  0.676  0.738  0.831  1.0
  O  O17  1  0.108  0.883  0.740  1.0
  O  O18  1  0.900  0.106  0.263  1.0
[/CIF]
.