The crystal structure described by LiMn2(PO4)2 crystallizes in the monoclinic Pc space group. Li(1) is bonded to one O(2), one O(3), one O(4), and one O(6) atom to form LiO4 tetrahedra that share corners with two equivalent Mn(1)O4 tetrahedra, corners with two equivalent Mn(2)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(3), one O(4), and one O(7) atom to form distorted MnO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. In the second Mn site, Mn(2) is bonded to one O(2), one O(5), one O(6), and one O(8) atom to form MnO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(3), one O(6), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Mn(1)O4 tetrahedra, and corners with two equivalent Mn(2)O4 tetrahedra. In the second P site, P(2) is bonded to one O(2), one O(4), one O(5), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Mn(1)O4 tetrahedra, and corners with two equivalent Mn(2)O4 tetrahedra. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Mn(1) and one P(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Li(1), one Mn(2), and one P(2) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Li(1), one Mn(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Li(1), one Mn(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Mn(2) and one P(2) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Li(1), one Mn(2), and one P(1) atom. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to one Mn(1) and one P(2) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one Mn(2) and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiMn2(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.117
_cell_length_b   8.784
_cell_length_c   10.096
_cell_angle_alpha   55.477
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   373.871
_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  0.561  0.497  0.005  1.0
  Li  Li1  1  0.439  0.497  0.505  1.0
  Mn  Mn2  1  0.058  0.499  0.242  1.0
  Mn  Mn3  1  0.453  0.002  0.758  1.0
  Mn  Mn4  1  0.547  0.002  0.258  1.0
  Mn  Mn5  1  0.942  0.499  0.742  1.0
  P  P6  1  0.543  0.746  0.130  1.0
  P  P7  1  0.956  0.250  0.622  1.0
  P  P8  1  0.044  0.250  0.122  1.0
  P  P9  1  0.457  0.746  0.630  1.0
  O  O10  1  0.837  0.709  0.176  1.0
  O  O11  1  0.657  0.260  0.644  1.0
  O  O12  1  0.389  0.579  0.278  1.0
  O  O13  1  0.913  0.420  0.113  1.0
  O  O14  1  0.070  0.068  0.760  1.0
  O  O15  1  0.483  0.740  0.982  1.0
  O  O16  1  0.930  0.068  0.260  1.0
  O  O17  1  0.024  0.279  0.459  1.0
  O  O18  1  0.535  0.930  0.601  1.0
  O  O19  1  0.343  0.260  0.144  1.0
  O  O20  1  0.611  0.579  0.778  1.0
  O  O21  1  0.976  0.279  0.959  1.0
  O  O22  1  0.163  0.709  0.676  1.0
  O  O23  1  0.517  0.740  0.482  1.0
  O  O24  1  0.465  0.930  0.101  1.0
  O  O25  1  0.087  0.420  0.613  1.0
[/CIF]
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The crystal structure described by LiMn2(PO4)2 crystallizes in the monoclinic Pc space group. Li(1) is bonded to one O(2), one O(3), one O(4), and one O(6) atom to form LiO4 tetrahedra that share corners with two equivalent Mn(1)O4 tetrahedra, corners with two equivalent Mn(2)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(3), one O(4), and one O(7) atom to form distorted MnO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. In the second Mn site, Mn(2) is bonded to one O(2), one O(5), one O(6), and one O(8) atom to form MnO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(3), one O(6), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Mn(1)O4 tetrahedra, and corners with two equivalent Mn(2)O4 tetrahedra. In the second P site, P(2) is bonded to one O(2), one O(4), one O(5), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Mn(1)O4 tetrahedra, and corners with two equivalent Mn(2)O4 tetrahedra. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Mn(1) and one P(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Li(1), one Mn(2), and one P(2) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Li(1), one Mn(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Li(1), one Mn(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Mn(2) and one P(2) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Li(1), one Mn(2), and one P(1) atom. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to one Mn(1) and one P(2) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one Mn(2) and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiMn2(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.117
_cell_length_b   8.784
_cell_length_c   10.096
_cell_angle_alpha   55.477
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   373.871
_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  0.561  0.497  0.005  1.0
  Li  Li1  1  0.439  0.497  0.505  1.0
  Mn  Mn2  1  0.058  0.499  0.242  1.0
  Mn  Mn3  1  0.453  0.002  0.758  1.0
  Mn  Mn4  1  0.547  0.002  0.258  1.0
  Mn  Mn5  1  0.942  0.499  0.742  1.0
  P  P6  1  0.543  0.746  0.130  1.0
  P  P7  1  0.956  0.250  0.622  1.0
  P  P8  1  0.044  0.250  0.122  1.0
  P  P9  1  0.457  0.746  0.630  1.0
  O  O10  1  0.837  0.709  0.176  1.0
  O  O11  1  0.657  0.260  0.644  1.0
  O  O12  1  0.389  0.579  0.278  1.0
  O  O13  1  0.913  0.420  0.113  1.0
  O  O14  1  0.070  0.068  0.760  1.0
  O  O15  1  0.483  0.740  0.982  1.0
  O  O16  1  0.930  0.068  0.260  1.0
  O  O17  1  0.024  0.279  0.459  1.0
  O  O18  1  0.535  0.930  0.601  1.0
  O  O19  1  0.343  0.260  0.144  1.0
  O  O20  1  0.611  0.579  0.778  1.0
  O  O21  1  0.976  0.279  0.959  1.0
  O  O22  1  0.163  0.709  0.676  1.0
  O  O23  1  0.517  0.740  0.482  1.0
  O  O24  1  0.465  0.930  0.101  1.0
  O  O25  1  0.087  0.420  0.613  1.0
[/CIF]
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