The compound described by LiMn2(PO4)2 crystallizes in the monoclinic Pc space group. Li(1) is bonded to one O(1), one O(3), one O(5), and one O(7) atom to form LiO4 tetrahedra that share  a cornercorner with one Mn(1)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with three equivalent Mn(2)O4 tetrahedra. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(2), one O(3), one O(6), and one O(8) atom to form MnO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra, and corners with three equivalent P(2)O4 tetrahedra. In the second Mn site, Mn(2) is bonded to one O(1), one O(4), one O(5), and one O(7) atom to form MnO4 tetrahedra that share  a cornercorner with one P(2)O4 tetrahedra, corners with three equivalent Li(1)O4 tetrahedra, and corners with three equivalent P(1)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(4), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, and corners with three equivalent Mn(2)O4 tetrahedra. In the second P site, P(2) is bonded to one O(2), one O(3), one O(5), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(2)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, and corners with three equivalent Mn(1)O4 tetrahedra. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar 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 120 degrees geometry to one Mn(1) and one P(2) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one P(2) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Mn(2) and one P(1) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Li(1), one Mn(2), and one P(2) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Mn(1) and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(2), and one P(1) atom. In the eighth O site, O(8) is bonded in a linear geometry to one Mn(1) and one P(1) atom. is represented by the CIF card [CIF]
data_LiMn2(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.350
_cell_length_b   8.532
_cell_length_c   8.499
_cell_angle_alpha   109.086
_cell_angle_beta   90.005
_cell_angle_gamma   89.971
_symmetry_Int_Tables_number   1
_cell_volume   366.623
_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  0.335  0.514  0.296  1.0
  Li  Li1  1  0.666  0.514  0.796  1.0
  Mn  Mn2  1  0.685  0.864  0.706  1.0
  Mn  Mn3  1  0.834  0.378  0.391  1.0
  Mn  Mn4  1  0.314  0.864  0.206  1.0
  Mn  Mn5  1  0.167  0.378  0.891  1.0
  P  P6  1  0.657  0.257  0.011  1.0
  P  P7  1  0.343  0.257  0.511  1.0
  P  P8  1  0.818  0.728  0.324  1.0
  P  P9  1  0.182  0.728  0.824  1.0
  O  O10  1  0.395  0.336  0.064  1.0
  O  O11  1  0.605  0.336  0.564  1.0
  O  O12  1  0.663  0.762  0.187  1.0
  O  O13  1  0.337  0.762  0.687  1.0
  O  O14  1  0.092  0.680  0.264  1.0
  O  O15  1  0.907  0.680  0.764  1.0
  O  O16  1  0.800  0.239  0.164  1.0
  O  O17  1  0.200  0.239  0.664  1.0
  O  O18  1  0.689  0.577  0.366  1.0
  O  O19  1  0.311  0.578  0.866  1.0
  O  O20  1  0.814  0.874  0.488  1.0
  O  O21  1  0.185  0.874  0.988  1.0
  O  O22  1  0.198  0.376  0.436  1.0
  O  O23  1  0.802  0.376  0.936  1.0
  O  O24  1  0.356  0.083  0.385  1.0
  O  O25  1  0.645  0.083  0.885  1.0
[/CIF]
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The compound described by LiMn2(PO4)2 crystallizes in the monoclinic Pc space group. Li(1) is bonded to one O(1), one O(3), one O(5), and one O(7) atom to form LiO4 tetrahedra that share  a cornercorner with one Mn(1)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with three equivalent Mn(2)O4 tetrahedra. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(2), one O(3), one O(6), and one O(8) atom to form MnO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra, and corners with three equivalent P(2)O4 tetrahedra. In the second Mn site, Mn(2) is bonded to one O(1), one O(4), one O(5), and one O(7) atom to form MnO4 tetrahedra that share  a cornercorner with one P(2)O4 tetrahedra, corners with three equivalent Li(1)O4 tetrahedra, and corners with three equivalent P(1)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(4), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, and corners with three equivalent Mn(2)O4 tetrahedra. In the second P site, P(2) is bonded to one O(2), one O(3), one O(5), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(2)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, and corners with three equivalent Mn(1)O4 tetrahedra. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar 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 120 degrees geometry to one Mn(1) and one P(2) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one P(2) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Mn(2) and one P(1) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Li(1), one Mn(2), and one P(2) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Mn(1) and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(2), and one P(1) atom. In the eighth O site, O(8) is bonded in a linear geometry to one Mn(1) and one P(1) atom. is represented by the CIF card [CIF]
data_LiMn2(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.350
_cell_length_b   8.532
_cell_length_c   8.499
_cell_angle_alpha   109.086
_cell_angle_beta   90.005
_cell_angle_gamma   89.971
_symmetry_Int_Tables_number   1
_cell_volume   366.623
_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  0.335  0.514  0.296  1.0
  Li  Li1  1  0.666  0.514  0.796  1.0
  Mn  Mn2  1  0.685  0.864  0.706  1.0
  Mn  Mn3  1  0.834  0.378  0.391  1.0
  Mn  Mn4  1  0.314  0.864  0.206  1.0
  Mn  Mn5  1  0.167  0.378  0.891  1.0
  P  P6  1  0.657  0.257  0.011  1.0
  P  P7  1  0.343  0.257  0.511  1.0
  P  P8  1  0.818  0.728  0.324  1.0
  P  P9  1  0.182  0.728  0.824  1.0
  O  O10  1  0.395  0.336  0.064  1.0
  O  O11  1  0.605  0.336  0.564  1.0
  O  O12  1  0.663  0.762  0.187  1.0
  O  O13  1  0.337  0.762  0.687  1.0
  O  O14  1  0.092  0.680  0.264  1.0
  O  O15  1  0.907  0.680  0.764  1.0
  O  O16  1  0.800  0.239  0.164  1.0
  O  O17  1  0.200  0.239  0.664  1.0
  O  O18  1  0.689  0.577  0.366  1.0
  O  O19  1  0.311  0.578  0.866  1.0
  O  O20  1  0.814  0.874  0.488  1.0
  O  O21  1  0.185  0.874  0.988  1.0
  O  O22  1  0.198  0.376  0.436  1.0
  O  O23  1  0.802  0.376  0.936  1.0
  O  O24  1  0.356  0.083  0.385  1.0
  O  O25  1  0.645  0.083  0.885  1.0
[/CIF]
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