The crystal structure described by Li3MnP2 crystallizes in the tetragonal P4_2/nmc space group. There are two 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 corner-sharing LiP4 tetrahedra. Mn(1) is bonded in a 4-coordinate geometry to four equivalent P(1) atoms. P(1) is bonded in a body-centered cubic geometry to two equivalent Li(2), four equivalent Li(1), 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   3.963
_cell_length_b   3.963
_cell_length_c   11.204
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   175.929
_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  0.500  0.500  0.751  1.0
  Li  Li1  1  0.000  0.000  0.500  1.0
  Li  Li2  1  0.000  0.000  0.749  1.0
  Li  Li3  1  0.000  0.000  0.251  1.0
  Li  Li4  1  0.500  0.500  0.000  1.0
  Li  Li5  1  0.500  0.500  0.249  1.0
  Mn  Mn6  1  0.000  0.000  0.000  1.0
  Mn  Mn7  1  0.500  0.500  0.500  1.0
  P  P8  1  0.000  0.500  0.105  1.0
  P  P9  1  0.000  0.500  0.605  1.0
  P  P10  1  0.500  0.000  0.895  1.0
  P  P11  1  0.500  0.000  0.395  1.0
[/CIF]
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The crystal structure described by Li3MnP2 crystallizes in the tetragonal P4_2/nmc space group. There are two 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 corner-sharing LiP4 tetrahedra. Mn(1) is bonded in a 4-coordinate geometry to four equivalent P(1) atoms. P(1) is bonded in a body-centered cubic geometry to two equivalent Li(2), four equivalent Li(1), 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   3.963
_cell_length_b   3.963
_cell_length_c   11.204
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   175.929
_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  0.500  0.500  0.751  1.0
  Li  Li1  1  0.000  0.000  0.500  1.0
  Li  Li2  1  0.000  0.000  0.749  1.0
  Li  Li3  1  0.000  0.000  0.251  1.0
  Li  Li4  1  0.500  0.500  0.000  1.0
  Li  Li5  1  0.500  0.500  0.249  1.0
  Mn  Mn6  1  0.000  0.000  0.000  1.0
  Mn  Mn7  1  0.500  0.500  0.500  1.0
  P  P8  1  0.000  0.500  0.105  1.0
  P  P9  1  0.000  0.500  0.605  1.0
  P  P10  1  0.500  0.000  0.895  1.0
  P  P11  1  0.500  0.000  0.395  1.0
[/CIF]
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