The material described by LiMn2(PO3)5 crystallizes in the monoclinic Pc space group. Li(1) is bonded in a 4-coordinate geometry to one O(10), one O(2), one O(3), and one O(5) atom. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(11), one O(3), one O(5), one O(6), and one O(9) atom to form distorted MnO6 octahedra that share  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and  an edgeedge with one Mn(2)O6 octahedra. In the second Mn site, Mn(2) is bonded to one O(1), one O(10), one O(2), one O(4), one O(6), and one O(7) atom to form distorted MnO6 octahedra that share  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, and  an edgeedge with one Mn(1)O6 octahedra. There are five inequivalent P sites. In the first P site, P(1) is bonded to one O(12), one O(15), one O(5), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra,  a cornercorner with one P(4)O4 tetrahedra, and  a cornercorner with one P(5)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 39-45°. In the second P site, P(2) is bonded to one O(10), one O(13), one O(14), and one O(2) atom to form PO4 tetrahedra that share corners with two equivalent Mn(2)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra, and  a cornercorner with one P(5)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 39-48°. In the third P site, P(3) is bonded to one O(11), one O(13), one O(6), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(2)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, and  a cornercorner with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-63°. In the fourth P site, P(4) is bonded to one O(1), one O(15), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra, corners with two equivalent 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 range from 52-62°. In the fifth P site, P(5) is bonded to one O(12), one O(14), one O(3), and one O(4) 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 P(1)O4 tetrahedra, and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 41-47°. There are fifteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(2), and one P(4) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(1), one Mn(2), and one P(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(1), one Mn(1), and one P(5) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one Mn(2) and one P(5) 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 trigonal planar geometry to one Mn(1), one Mn(2), and one P(3) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one Mn(2) and one P(4) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one P(3) and one P(4) atom. In the ninth O site, O(9) is bonded in a distorted bent 150 degrees geometry to one Mn(1) and one P(1) atom. In the tenth O site, O(10) is bonded in a 3-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 Mn(1) and one P(3) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one P(1) and one P(5) atom. In the thirteenth O site, O(13) is bonded in a distorted bent 120 degrees geometry to one P(2) and one P(3) atom. In the fourteenth O site, O(14) is bonded in a bent 150 degrees geometry to one P(2) and one P(5) atom. In the fifteenth O site, O(15) is bonded in a bent 120 degrees geometry to one P(1) and one P(4) atom. is represented by the CIF card [CIF]
data_LiMn2(PO3)5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.039
_cell_length_b   5.344
_cell_length_c   13.391
_cell_angle_alpha   68.440
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   601.620
_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  0.013  0.084  0.971  1.0
  Li  Li1  1  0.987  0.084  0.471  1.0
  Mn  Mn2  1  0.308  0.954  0.427  1.0
  Mn  Mn3  1  0.689  0.042  0.575  1.0
  Mn  Mn4  1  0.692  0.954  0.927  1.0
  Mn  Mn5  1  0.311  0.042  0.075  1.0
  P  P6  1  0.191  0.337  0.579  1.0
  P  P7  1  0.809  0.337  0.079  1.0
  P  P8  1  0.813  0.664  0.420  1.0
  P  P9  1  0.482  0.541  0.854  1.0
  P  P10  1  0.483  0.456  0.647  1.0
  P  P11  1  0.518  0.541  0.354  1.0
  P  P12  1  0.187  0.664  0.920  1.0
  P  P13  1  0.023  0.004  0.249  1.0
  P  P14  1  0.977  0.004  0.749  1.0
  P  P15  1  0.517  0.456  0.147  1.0
  O  O16  1  0.508  0.734  0.060  1.0
  O  O17  1  0.165  0.365  0.974  1.0
  O  O18  1  0.900  0.090  0.832  1.0
  O  O19  1  0.889  0.923  0.672  1.0
  O  O20  1  0.173  0.156  0.517  1.0
  O  O21  1  0.490  0.265  0.942  1.0
  O  O22  1  0.619  0.282  0.671  1.0
  O  O23  1  0.416  0.496  0.751  1.0
  O  O24  1  0.171  0.634  0.523  1.0
  O  O25  1  0.829  0.843  0.483  1.0
  O  O26  1  0.510  0.265  0.442  1.0
  O  O27  1  0.827  0.156  0.017  1.0
  O  O28  1  0.383  0.718  0.329  1.0
  O  O29  1  0.090  0.244  0.686  1.0
  O  O30  1  0.829  0.634  0.023  1.0
  O  O31  1  0.352  0.724  0.872  1.0
  O  O32  1  0.381  0.282  0.171  1.0
  O  O33  1  0.088  0.757  0.812  1.0
  O  O34  1  0.835  0.365  0.474  1.0
  O  O35  1  0.355  0.271  0.629  1.0
  O  O36  1  0.584  0.496  0.251  1.0
  O  O37  1  0.912  0.757  0.312  1.0
  O  O38  1  0.617  0.718  0.829  1.0
  O  O39  1  0.111  0.923  0.172  1.0
  O  O40  1  0.100  0.090  0.332  1.0
  O  O41  1  0.492  0.734  0.560  1.0
  O  O42  1  0.171  0.843  0.983  1.0
  O  O43  1  0.648  0.724  0.372  1.0
  O  O44  1  0.910  0.244  0.186  1.0
  O  O45  1  0.645  0.271  0.129  1.0
[/CIF]
.
The material described by LiMn2(PO3)5 crystallizes in the monoclinic Pc space group. Li(1) is bonded in a 4-coordinate geometry to one O(10), one O(2), one O(3), and one O(5) atom. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(11), one O(3), one O(5), one O(6), and one O(9) atom to form distorted MnO6 octahedra that share  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and  an edgeedge with one Mn(2)O6 octahedra. In the second Mn site, Mn(2) is bonded to one O(1), one O(10), one O(2), one O(4), one O(6), and one O(7) atom to form distorted MnO6 octahedra that share  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, and  an edgeedge with one Mn(1)O6 octahedra. There are five inequivalent P sites. In the first P site, P(1) is bonded to one O(12), one O(15), one O(5), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra,  a cornercorner with one P(4)O4 tetrahedra, and  a cornercorner with one P(5)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 39-45°. In the second P site, P(2) is bonded to one O(10), one O(13), one O(14), and one O(2) atom to form PO4 tetrahedra that share corners with two equivalent Mn(2)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra, and  a cornercorner with one P(5)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 39-48°. In the third P site, P(3) is bonded to one O(11), one O(13), one O(6), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(2)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, and  a cornercorner with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-63°. In the fourth P site, P(4) is bonded to one O(1), one O(15), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra, corners with two equivalent 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 range from 52-62°. In the fifth P site, P(5) is bonded to one O(12), one O(14), one O(3), and one O(4) 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 P(1)O4 tetrahedra, and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 41-47°. There are fifteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(2), and one P(4) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(1), one Mn(2), and one P(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(1), one Mn(1), and one P(5) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one Mn(2) and one P(5) 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 trigonal planar geometry to one Mn(1), one Mn(2), and one P(3) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one Mn(2) and one P(4) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one P(3) and one P(4) atom. In the ninth O site, O(9) is bonded in a distorted bent 150 degrees geometry to one Mn(1) and one P(1) atom. In the tenth O site, O(10) is bonded in a 3-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 Mn(1) and one P(3) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one P(1) and one P(5) atom. In the thirteenth O site, O(13) is bonded in a distorted bent 120 degrees geometry to one P(2) and one P(3) atom. In the fourteenth O site, O(14) is bonded in a bent 150 degrees geometry to one P(2) and one P(5) atom. In the fifteenth O site, O(15) is bonded in a bent 120 degrees geometry to one P(1) and one P(4) atom. is represented by the CIF card [CIF]
data_LiMn2(PO3)5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.039
_cell_length_b   5.344
_cell_length_c   13.391
_cell_angle_alpha   68.440
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   601.620
_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  0.013  0.084  0.971  1.0
  Li  Li1  1  0.987  0.084  0.471  1.0
  Mn  Mn2  1  0.308  0.954  0.427  1.0
  Mn  Mn3  1  0.689  0.042  0.575  1.0
  Mn  Mn4  1  0.692  0.954  0.927  1.0
  Mn  Mn5  1  0.311  0.042  0.075  1.0
  P  P6  1  0.191  0.337  0.579  1.0
  P  P7  1  0.809  0.337  0.079  1.0
  P  P8  1  0.813  0.664  0.420  1.0
  P  P9  1  0.482  0.541  0.854  1.0
  P  P10  1  0.483  0.456  0.647  1.0
  P  P11  1  0.518  0.541  0.354  1.0
  P  P12  1  0.187  0.664  0.920  1.0
  P  P13  1  0.023  0.004  0.249  1.0
  P  P14  1  0.977  0.004  0.749  1.0
  P  P15  1  0.517  0.456  0.147  1.0
  O  O16  1  0.508  0.734  0.060  1.0
  O  O17  1  0.165  0.365  0.974  1.0
  O  O18  1  0.900  0.090  0.832  1.0
  O  O19  1  0.889  0.923  0.672  1.0
  O  O20  1  0.173  0.156  0.517  1.0
  O  O21  1  0.490  0.265  0.942  1.0
  O  O22  1  0.619  0.282  0.671  1.0
  O  O23  1  0.416  0.496  0.751  1.0
  O  O24  1  0.171  0.634  0.523  1.0
  O  O25  1  0.829  0.843  0.483  1.0
  O  O26  1  0.510  0.265  0.442  1.0
  O  O27  1  0.827  0.156  0.017  1.0
  O  O28  1  0.383  0.718  0.329  1.0
  O  O29  1  0.090  0.244  0.686  1.0
  O  O30  1  0.829  0.634  0.023  1.0
  O  O31  1  0.352  0.724  0.872  1.0
  O  O32  1  0.381  0.282  0.171  1.0
  O  O33  1  0.088  0.757  0.812  1.0
  O  O34  1  0.835  0.365  0.474  1.0
  O  O35  1  0.355  0.271  0.629  1.0
  O  O36  1  0.584  0.496  0.251  1.0
  O  O37  1  0.912  0.757  0.312  1.0
  O  O38  1  0.617  0.718  0.829  1.0
  O  O39  1  0.111  0.923  0.172  1.0
  O  O40  1  0.100  0.090  0.332  1.0
  O  O41  1  0.492  0.734  0.560  1.0
  O  O42  1  0.171  0.843  0.983  1.0
  O  O43  1  0.648  0.724  0.372  1.0
  O  O44  1  0.910  0.244  0.186  1.0
  O  O45  1  0.645  0.271  0.129  1.0
[/CIF]
.