The material structure described by Li3MnPO5 is beta beryllia-derived structured and crystallizes in the orthorhombic Pna2_1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), one O(3), and one O(5) atom to form LiO4 tetrahedra that share corners with two equivalent Li(3)O4 tetrahedra, corners with three equivalent Mn(1)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra, and corners with four equivalent Li(2)O4 tetrahedra. In the second Li site, Li(2) is bonded to one O(3), one O(5), and two equivalent O(2) atoms to form LiO4 tetrahedra that share  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Mn(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with four equivalent Li(1)O4 tetrahedra, and corners with four equivalent P(1)O4 tetrahedra. In the third Li site, Li(3) is bonded to one O(1), one O(3), and two equivalent O(4) atoms to form LiO4 tetrahedra that share  a cornercorner with one Li(2)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra, and corners with four equivalent Mn(1)O4 tetrahedra. Mn(1) is bonded to one O(4), one O(5), and two equivalent O(1) atoms to form MnO4 tetrahedra that share  a cornercorner with one Li(2)O4 tetrahedra, corners with two equivalent Mn(1)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with three equivalent Li(1)O4 tetrahedra, and corners with four equivalent Li(3)O4 tetrahedra. P(1) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form PO4 tetrahedra that share corners with two equivalent Mn(1)O4 tetrahedra, corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(3)O4 tetrahedra, and corners with four equivalent Li(2)O4 tetrahedra. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(3), and two equivalent Mn(1) atoms to form OLi2Mn2 tetrahedra that share  a cornercorner with one O(2)Li3P tetrahedra, corners with two equivalent O(1)Li2Mn2 tetrahedra, corners with two equivalent O(3)Li3P tetrahedra, and corners with three equivalent O(5)Li2MnP tetrahedra. In the second O site, O(2) is bonded to one Li(1), two equivalent Li(2), and one P(1) atom to form distorted OLi3P tetrahedra that share  a cornercorner with one O(1)Li2Mn2 tetrahedra, corners with two equivalent O(2)Li3P tetrahedra, corners with four equivalent O(5)Li2MnP tetrahedra, and corners with four equivalent O(3)Li3P tetrahedra. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Li(3), and one P(1) atom to form distorted OLi3P tetrahedra that share corners with two equivalent O(1)Li2Mn2 tetrahedra, corners with three equivalent O(5)Li2MnP tetrahedra, and corners with four equivalent O(2)Li3P tetrahedra. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent Li(3), one Mn(1), and one P(1) atom. In the fifth O site, O(5) is bonded to one Li(1), one Li(2), one Mn(1), and one P(1) atom to form OLi2MnP tetrahedra that share corners with three equivalent O(1)Li2Mn2 tetrahedra, corners with three equivalent O(3)Li3P tetrahedra, and corners with four equivalent O(2)Li3P tetrahedra. is represented by the CIF card [CIF]
data_Li3MnPO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.039
_cell_length_b   5.507
_cell_length_c   16.031
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   444.849
_cell_formula_units_Z   4
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  0.008  0.662  0.594  1.0
  Li  Li1  1  0.008  0.162  0.906  1.0
  Li  Li2  1  0.008  0.670  0.005  1.0
  Li  Li3  1  0.008  0.170  0.495  1.0
  Li  Li4  1  0.483  0.327  0.804  1.0
  Li  Li5  1  0.483  0.827  0.696  1.0
  Li  Li6  1  0.508  0.338  0.406  1.0
  Li  Li7  1  0.508  0.838  0.094  1.0
  Li  Li8  1  0.508  0.330  0.995  1.0
  Li  Li9  1  0.508  0.830  0.505  1.0
  Li  Li10  1  0.983  0.173  0.304  1.0
  Li  Li11  1  0.983  0.673  0.196  1.0
  Mn  Mn12  1  0.009  0.173  0.700  1.0
  Mn  Mn13  1  0.009  0.673  0.800  1.0
  Mn  Mn14  1  0.509  0.327  0.200  1.0
  Mn  Mn15  1  0.509  0.827  0.300  1.0
  P  P16  1  0.001  0.165  0.097  1.0
  P  P17  1  0.001  0.665  0.403  1.0
  P  P18  1  0.501  0.335  0.597  1.0
  P  P19  1  0.501  0.835  0.903  1.0
  O  O20  1  0.104  0.324  0.809  1.0
  O  O21  1  0.104  0.824  0.691  1.0
  O  O22  1  0.113  0.311  0.021  1.0
  O  O23  1  0.113  0.811  0.479  1.0
  O  O24  1  0.105  0.399  0.402  1.0
  O  O25  1  0.105  0.899  0.098  1.0
  O  O26  1  0.083  0.294  0.180  1.0
  O  O27  1  0.083  0.794  0.320  1.0
  O  O28  1  0.190  0.334  0.591  1.0
  O  O29  1  0.190  0.834  0.909  1.0
  O  O30  1  0.604  0.676  0.191  1.0
  O  O31  1  0.604  0.176  0.309  1.0
  O  O32  1  0.613  0.189  0.521  1.0
  O  O33  1  0.613  0.689  0.979  1.0
  O  O34  1  0.605  0.101  0.902  1.0
  O  O35  1  0.605  0.601  0.598  1.0
  O  O36  1  0.583  0.206  0.680  1.0
  O  O37  1  0.583  0.706  0.820  1.0
  O  O38  1  0.690  0.166  0.091  1.0
  O  O39  1  0.690  0.666  0.409  1.0
[/CIF]
.
The material structure described by Li3MnPO5 is beta beryllia-derived structured and crystallizes in the orthorhombic Pna2_1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), one O(3), and one O(5) atom to form LiO4 tetrahedra that share corners with two equivalent Li(3)O4 tetrahedra, corners with three equivalent Mn(1)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra, and corners with four equivalent Li(2)O4 tetrahedra. In the second Li site, Li(2) is bonded to one O(3), one O(5), and two equivalent O(2) atoms to form LiO4 tetrahedra that share  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Mn(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with four equivalent Li(1)O4 tetrahedra, and corners with four equivalent P(1)O4 tetrahedra. In the third Li site, Li(3) is bonded to one O(1), one O(3), and two equivalent O(4) atoms to form LiO4 tetrahedra that share  a cornercorner with one Li(2)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra, and corners with four equivalent Mn(1)O4 tetrahedra. Mn(1) is bonded to one O(4), one O(5), and two equivalent O(1) atoms to form MnO4 tetrahedra that share  a cornercorner with one Li(2)O4 tetrahedra, corners with two equivalent Mn(1)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with three equivalent Li(1)O4 tetrahedra, and corners with four equivalent Li(3)O4 tetrahedra. P(1) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form PO4 tetrahedra that share corners with two equivalent Mn(1)O4 tetrahedra, corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(3)O4 tetrahedra, and corners with four equivalent Li(2)O4 tetrahedra. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(3), and two equivalent Mn(1) atoms to form OLi2Mn2 tetrahedra that share  a cornercorner with one O(2)Li3P tetrahedra, corners with two equivalent O(1)Li2Mn2 tetrahedra, corners with two equivalent O(3)Li3P tetrahedra, and corners with three equivalent O(5)Li2MnP tetrahedra. In the second O site, O(2) is bonded to one Li(1), two equivalent Li(2), and one P(1) atom to form distorted OLi3P tetrahedra that share  a cornercorner with one O(1)Li2Mn2 tetrahedra, corners with two equivalent O(2)Li3P tetrahedra, corners with four equivalent O(5)Li2MnP tetrahedra, and corners with four equivalent O(3)Li3P tetrahedra. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Li(3), and one P(1) atom to form distorted OLi3P tetrahedra that share corners with two equivalent O(1)Li2Mn2 tetrahedra, corners with three equivalent O(5)Li2MnP tetrahedra, and corners with four equivalent O(2)Li3P tetrahedra. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent Li(3), one Mn(1), and one P(1) atom. In the fifth O site, O(5) is bonded to one Li(1), one Li(2), one Mn(1), and one P(1) atom to form OLi2MnP tetrahedra that share corners with three equivalent O(1)Li2Mn2 tetrahedra, corners with three equivalent O(3)Li3P tetrahedra, and corners with four equivalent O(2)Li3P tetrahedra. is represented by the CIF card [CIF]
data_Li3MnPO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.039
_cell_length_b   5.507
_cell_length_c   16.031
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   444.849
_cell_formula_units_Z   4
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  0.008  0.662  0.594  1.0
  Li  Li1  1  0.008  0.162  0.906  1.0
  Li  Li2  1  0.008  0.670  0.005  1.0
  Li  Li3  1  0.008  0.170  0.495  1.0
  Li  Li4  1  0.483  0.327  0.804  1.0
  Li  Li5  1  0.483  0.827  0.696  1.0
  Li  Li6  1  0.508  0.338  0.406  1.0
  Li  Li7  1  0.508  0.838  0.094  1.0
  Li  Li8  1  0.508  0.330  0.995  1.0
  Li  Li9  1  0.508  0.830  0.505  1.0
  Li  Li10  1  0.983  0.173  0.304  1.0
  Li  Li11  1  0.983  0.673  0.196  1.0
  Mn  Mn12  1  0.009  0.173  0.700  1.0
  Mn  Mn13  1  0.009  0.673  0.800  1.0
  Mn  Mn14  1  0.509  0.327  0.200  1.0
  Mn  Mn15  1  0.509  0.827  0.300  1.0
  P  P16  1  0.001  0.165  0.097  1.0
  P  P17  1  0.001  0.665  0.403  1.0
  P  P18  1  0.501  0.335  0.597  1.0
  P  P19  1  0.501  0.835  0.903  1.0
  O  O20  1  0.104  0.324  0.809  1.0
  O  O21  1  0.104  0.824  0.691  1.0
  O  O22  1  0.113  0.311  0.021  1.0
  O  O23  1  0.113  0.811  0.479  1.0
  O  O24  1  0.105  0.399  0.402  1.0
  O  O25  1  0.105  0.899  0.098  1.0
  O  O26  1  0.083  0.294  0.180  1.0
  O  O27  1  0.083  0.794  0.320  1.0
  O  O28  1  0.190  0.334  0.591  1.0
  O  O29  1  0.190  0.834  0.909  1.0
  O  O30  1  0.604  0.676  0.191  1.0
  O  O31  1  0.604  0.176  0.309  1.0
  O  O32  1  0.613  0.189  0.521  1.0
  O  O33  1  0.613  0.689  0.979  1.0
  O  O34  1  0.605  0.101  0.902  1.0
  O  O35  1  0.605  0.601  0.598  1.0
  O  O36  1  0.583  0.206  0.680  1.0
  O  O37  1  0.583  0.706  0.820  1.0
  O  O38  1  0.690  0.166  0.091  1.0
  O  O39  1  0.690  0.666  0.409  1.0
[/CIF]
.