The material described by LiMn2(PO5)2 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(10), one O(20), one O(4), one O(6), and one O(8) atom. In the second Li site, Li(2) is bonded in a 5-coordinate geometry to one O(12), one O(14), one O(18), one O(19), and one O(9) atom. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(12), one O(14), one O(15), one O(3), and one O(8) atom to form MnO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, and  a cornercorner with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 40-41°. In the second Mn site, Mn(2) is bonded to one O(11), one O(19), one O(3), one O(4), one O(5), and one O(8) atom to form MnO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, and  a cornercorner with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 40-41°. In the third Mn site, Mn(3) is bonded to one O(10), one O(13), one O(16), one O(17), one O(18), and one O(2) atom to form MnO6 octahedra that share corners with two equivalent Mn(4)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, and  a cornercorner with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 40-41°. In the fourth Mn site, Mn(4) is bonded to one O(13), one O(18), one O(20), one O(6), one O(7), and one O(9) atom to form MnO6 octahedra that share corners with two equivalent Mn(3)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, and  a cornercorner with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 40-41°. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(4), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra, and  a cornercorner with one Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-52°. In the second P site, P(2) is bonded to one O(10), one O(12), one O(5), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra, and  a cornercorner with one Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-54°. In the third P site, P(3) is bonded to one O(11), one O(15), one O(16), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra, and  a cornercorner with one Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 35-52°. In the fourth P site, P(4) is bonded to one O(14), one O(17), one O(19), and one O(20) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra, and  a cornercorner with one Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-55°. There are twenty inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Mn(1) and one P(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Mn(3) and one P(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Mn(1) and one Mn(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(2), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Mn(2) and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one Li(1), one Mn(4), and one P(2) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Mn(4) and one P(1) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one Mn(2) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Li(2), one Mn(4), and one P(3) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(3), and one P(2) atom. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to one Mn(2) and one P(3) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Li(2), one Mn(1), and one P(2) atom. In the thirteenth O site, O(13) is bonded in a bent 150 degrees geometry to one Mn(3) and one Mn(4) atom. In the fourteenth O site, O(14) is bonded in a distorted T-shaped geometry to one Li(2), one Mn(1), and one P(4) atom. In the fifteenth O site, O(15) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(3) atom. In the sixteenth O site, O(16) is bonded in a 2-coordinate geometry to one Mn(3) and one P(3) atom. In the seventeenth O site, O(17) is bonded in a distorted bent 120 degrees geometry to one Mn(3) and one P(4) atom. In the eighteenth O site, O(18) is bonded in a distorted trigonal planar geometry to one Li(2), one Mn(3), and one Mn(4) atom. In the nineteenth O site, O(19) is bonded in a distorted trigonal planar geometry to one Li(2), one Mn(2), and one P(4) atom. In the twentieth O site, O(20) is bonded in a trigonal planar geometry to one Li(1), one Mn(4), and one P(4) atom. is represented by the CIF card [CIF]
data_LiMn2(PO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.698
_cell_length_b   6.974
_cell_length_c   7.973
_cell_angle_alpha   89.853
_cell_angle_beta   91.027
_cell_angle_gamma   116.692
_symmetry_Int_Tables_number   1
_cell_volume   332.654
_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  0.221  0.272  0.071  1.0
  Li  Li1  1  0.703  0.200  0.569  1.0
  Mn  Mn2  1  0.246  0.996  0.753  1.0
  Mn  Mn3  1  0.249  0.498  0.747  1.0
  Mn  Mn4  1  0.755  0.504  0.249  1.0
  Mn  Mn5  1  0.751  0.000  0.249  1.0
  P  P6  1  0.241  0.754  0.084  1.0
  P  P7  1  0.262  0.244  0.419  1.0
  P  P8  1  0.740  0.755  0.584  1.0
  P  P9  1  0.760  0.246  0.918  1.0
  O  O10  1  0.147  0.877  0.971  1.0
  O  O11  1  0.073  0.639  0.224  1.0
  O  O12  1  0.230  0.742  0.670  1.0
  O  O13  1  0.284  0.586  0.984  1.0
  O  O14  1  0.191  0.391  0.520  1.0
  O  O15  1  0.061  0.085  0.311  1.0
  O  O16  1  0.453  0.923  0.174  1.0
  O  O17  1  0.265  0.255  0.830  1.0
  O  O18  1  0.654  0.888  0.472  1.0
  O  O19  1  0.430  0.370  0.279  1.0
  O  O20  1  0.566  0.632  0.718  1.0
  O  O21  1  0.363  0.129  0.533  1.0
  O  O22  1  0.734  0.745  0.170  1.0
  O  O23  1  0.555  0.080  0.817  1.0
  O  O24  1  0.947  0.920  0.681  1.0
  O  O25  1  0.795  0.597  0.481  1.0
  O  O26  1  0.700  0.400  0.019  1.0
  O  O27  1  0.768  0.257  0.329  1.0
  O  O28  1  0.923  0.361  0.773  1.0
  O  O29  1  0.867  0.135  0.032  1.0
[/CIF]
.
The material described by LiMn2(PO5)2 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(10), one O(20), one O(4), one O(6), and one O(8) atom. In the second Li site, Li(2) is bonded in a 5-coordinate geometry to one O(12), one O(14), one O(18), one O(19), and one O(9) atom. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(12), one O(14), one O(15), one O(3), and one O(8) atom to form MnO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, and  a cornercorner with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 40-41°. In the second Mn site, Mn(2) is bonded to one O(11), one O(19), one O(3), one O(4), one O(5), and one O(8) atom to form MnO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, and  a cornercorner with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 40-41°. In the third Mn site, Mn(3) is bonded to one O(10), one O(13), one O(16), one O(17), one O(18), and one O(2) atom to form MnO6 octahedra that share corners with two equivalent Mn(4)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, and  a cornercorner with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 40-41°. In the fourth Mn site, Mn(4) is bonded to one O(13), one O(18), one O(20), one O(6), one O(7), and one O(9) atom to form MnO6 octahedra that share corners with two equivalent Mn(3)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, and  a cornercorner with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 40-41°. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(4), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra, and  a cornercorner with one Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-52°. In the second P site, P(2) is bonded to one O(10), one O(12), one O(5), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra, and  a cornercorner with one Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-54°. In the third P site, P(3) is bonded to one O(11), one O(15), one O(16), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra, and  a cornercorner with one Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 35-52°. In the fourth P site, P(4) is bonded to one O(14), one O(17), one O(19), and one O(20) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra, and  a cornercorner with one Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-55°. There are twenty inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Mn(1) and one P(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Mn(3) and one P(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Mn(1) and one Mn(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(2), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Mn(2) and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one Li(1), one Mn(4), and one P(2) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Mn(4) and one P(1) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one Mn(2) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Li(2), one Mn(4), and one P(3) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(3), and one P(2) atom. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to one Mn(2) and one P(3) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Li(2), one Mn(1), and one P(2) atom. In the thirteenth O site, O(13) is bonded in a bent 150 degrees geometry to one Mn(3) and one Mn(4) atom. In the fourteenth O site, O(14) is bonded in a distorted T-shaped geometry to one Li(2), one Mn(1), and one P(4) atom. In the fifteenth O site, O(15) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(3) atom. In the sixteenth O site, O(16) is bonded in a 2-coordinate geometry to one Mn(3) and one P(3) atom. In the seventeenth O site, O(17) is bonded in a distorted bent 120 degrees geometry to one Mn(3) and one P(4) atom. In the eighteenth O site, O(18) is bonded in a distorted trigonal planar geometry to one Li(2), one Mn(3), and one Mn(4) atom. In the nineteenth O site, O(19) is bonded in a distorted trigonal planar geometry to one Li(2), one Mn(2), and one P(4) atom. In the twentieth O site, O(20) is bonded in a trigonal planar geometry to one Li(1), one Mn(4), and one P(4) atom. is represented by the CIF card [CIF]
data_LiMn2(PO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.698
_cell_length_b   6.974
_cell_length_c   7.973
_cell_angle_alpha   89.853
_cell_angle_beta   91.027
_cell_angle_gamma   116.692
_symmetry_Int_Tables_number   1
_cell_volume   332.654
_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  0.221  0.272  0.071  1.0
  Li  Li1  1  0.703  0.200  0.569  1.0
  Mn  Mn2  1  0.246  0.996  0.753  1.0
  Mn  Mn3  1  0.249  0.498  0.747  1.0
  Mn  Mn4  1  0.755  0.504  0.249  1.0
  Mn  Mn5  1  0.751  0.000  0.249  1.0
  P  P6  1  0.241  0.754  0.084  1.0
  P  P7  1  0.262  0.244  0.419  1.0
  P  P8  1  0.740  0.755  0.584  1.0
  P  P9  1  0.760  0.246  0.918  1.0
  O  O10  1  0.147  0.877  0.971  1.0
  O  O11  1  0.073  0.639  0.224  1.0
  O  O12  1  0.230  0.742  0.670  1.0
  O  O13  1  0.284  0.586  0.984  1.0
  O  O14  1  0.191  0.391  0.520  1.0
  O  O15  1  0.061  0.085  0.311  1.0
  O  O16  1  0.453  0.923  0.174  1.0
  O  O17  1  0.265  0.255  0.830  1.0
  O  O18  1  0.654  0.888  0.472  1.0
  O  O19  1  0.430  0.370  0.279  1.0
  O  O20  1  0.566  0.632  0.718  1.0
  O  O21  1  0.363  0.129  0.533  1.0
  O  O22  1  0.734  0.745  0.170  1.0
  O  O23  1  0.555  0.080  0.817  1.0
  O  O24  1  0.947  0.920  0.681  1.0
  O  O25  1  0.795  0.597  0.481  1.0
  O  O26  1  0.700  0.400  0.019  1.0
  O  O27  1  0.768  0.257  0.329  1.0
  O  O28  1  0.923  0.361  0.773  1.0
  O  O29  1  0.867  0.135  0.032  1.0
[/CIF]
.