The material structure described by Li3MnP2 crystallizes in the tetragonal P-4m2 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to four equivalent P(1) atoms. In the second Li site, Li(2) is bonded to four equivalent P(1) atoms to form distorted LiP4 tetrahedra that share corners with four equivalent Li(2)P4 tetrahedra, corners with four equivalent Li(3)P4 tetrahedra, corners with eight equivalent Mn(1)P4 tetrahedra, and edges with two equivalent Li(3)P4 tetrahedra. In the third Li site, Li(3) is bonded to four equivalent P(1) atoms to form distorted LiP4 tetrahedra that share corners with four equivalent Li(2)P4 tetrahedra, corners with four equivalent Li(3)P4 tetrahedra, edges with two equivalent Li(2)P4 tetrahedra, and edges with four equivalent Mn(1)P4 tetrahedra. Mn(1) is bonded to four equivalent P(1) atoms to form distorted MnP4 tetrahedra that share corners with four equivalent Mn(1)P4 tetrahedra, corners with eight equivalent Li(2)P4 tetrahedra, and edges with four equivalent Li(3)P4 tetrahedra. P(1) is bonded in a body-centered cubic geometry to two equivalent Li(1), two equivalent Li(2), two equivalent Li(3), and two equivalent Mn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li3MnP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.958
_cell_length_b   3.958
_cell_length_c   5.626
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   88.140
_cell_formula_units_Z   1
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  0.000  0.000  0.000  1.0
  Li  Li1  1  0.500  0.500  0.000  1.0
  Li  Li2  1  0.500  0.500  0.500  1.0
  Mn  Mn3  1  0.000  0.000  0.500  1.0
  P  P4  1  0.000  0.500  0.289  1.0
  P  P5  1  0.500  0.000  0.711  1.0
[/CIF]
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The material structure described by Li3MnP2 crystallizes in the tetragonal P-4m2 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to four equivalent P(1) atoms. In the second Li site, Li(2) is bonded to four equivalent P(1) atoms to form distorted LiP4 tetrahedra that share corners with four equivalent Li(2)P4 tetrahedra, corners with four equivalent Li(3)P4 tetrahedra, corners with eight equivalent Mn(1)P4 tetrahedra, and edges with two equivalent Li(3)P4 tetrahedra. In the third Li site, Li(3) is bonded to four equivalent P(1) atoms to form distorted LiP4 tetrahedra that share corners with four equivalent Li(2)P4 tetrahedra, corners with four equivalent Li(3)P4 tetrahedra, edges with two equivalent Li(2)P4 tetrahedra, and edges with four equivalent Mn(1)P4 tetrahedra. Mn(1) is bonded to four equivalent P(1) atoms to form distorted MnP4 tetrahedra that share corners with four equivalent Mn(1)P4 tetrahedra, corners with eight equivalent Li(2)P4 tetrahedra, and edges with four equivalent Li(3)P4 tetrahedra. P(1) is bonded in a body-centered cubic geometry to two equivalent Li(1), two equivalent Li(2), two equivalent Li(3), and two equivalent Mn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li3MnP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.958
_cell_length_b   3.958
_cell_length_c   5.626
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   88.140
_cell_formula_units_Z   1
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  0.000  0.000  0.000  1.0
  Li  Li1  1  0.500  0.500  0.000  1.0
  Li  Li2  1  0.500  0.500  0.500  1.0
  Mn  Mn3  1  0.000  0.000  0.500  1.0
  P  P4  1  0.000  0.500  0.289  1.0
  P  P5  1  0.500  0.000  0.711  1.0
[/CIF]
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