The structure described by Li4Mn3O7 crystallizes in the triclinic P-1 space group. There are five inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one O(6), two equivalent O(1), and two equivalent O(5) atoms to form distorted LiO6 octahedra that share  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with three equivalent Mn(1)O6 octahedra, and edges with three equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-14°. In the second Li site, Li(2) is bonded to one O(3), one O(5), two equivalent O(2), and two equivalent O(4) atoms to form LiO6 octahedra that share  a cornercorner with one Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with three equivalent Mn(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with three equivalent Mn(2)O6 octahedra, and edges with three equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-6°. In the third Li site, Li(3) is bonded to two equivalent O(4) and four equivalent O(3) atoms to form LiO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra, corners with four equivalent Mn(3)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and edges with six equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-7°. In the fourth Li site, Li(4) is bonded in a 6-coordinate geometry to one O(1), two equivalent O(6), and three equivalent O(7) atoms. In the fifth Li site, Li(5) is bonded to two equivalent O(6) and four equivalent O(7) atoms to form LiO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, and edges with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 12°. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(5), one O(7), two equivalent O(1), and two equivalent O(6) atoms to form MnO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra, corners with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with three equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-14°. In the second Mn site, Mn(2) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(5) atoms to form MnO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra, corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with three equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-6°. In the third Mn site, Mn(3) is bonded to one O(2), two equivalent O(4), and three equivalent O(3) atoms to form MnO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra, corners with two equivalent Li(3)O6 octahedra, corners with three equivalent Li(2)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, edges with three equivalent Li(3)O6 octahedra, and edges with four equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-7°. There are seven inequivalent O sites. In the first O site, O(1) is bonded to one Li(4), two equivalent Li(1), one Mn(2), and two equivalent Mn(1) atoms to form OLi3Mn3 octahedra that share  a cornercorner with one O(4)Li3Mn3 octahedra,  a cornercorner with one O(7)Li5Mn octahedra, corners with two equivalent O(5)Li3Mn3 octahedra, edges with two equivalent O(1)Li3Mn3 octahedra, edges with two equivalent O(2)Li3Mn3 octahedra, edges with two equivalent O(7)Li5Mn octahedra, and edges with three equivalent O(5)Li3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 0-10°. In the second O site, O(2) is bonded to one Li(1), two equivalent Li(2), one Mn(3), and two equivalent Mn(2) atoms to form a mixture of corner and edge-sharing OLi3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the third O site, O(3) is bonded to one Li(2), two equivalent Li(3), and three equivalent Mn(3) atoms to form a mixture of corner and edge-sharing OLi3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the fourth O site, O(4) is bonded to one Li(3), two equivalent Li(2), one Mn(2), and two equivalent Mn(3) atoms to form a mixture of corner and edge-sharing OLi3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. In the fifth O site, O(5) is bonded to one Li(2), two equivalent Li(1), one Mn(1), and two equivalent Mn(2) atoms to form OLi3Mn3 octahedra that share  a cornercorner with one O(3)Li3Mn3 octahedra,  a cornercorner with one O(7)Li5Mn octahedra, corners with two equivalent O(1)Li3Mn3 octahedra, corners with two equivalent O(2)Li3Mn3 octahedra, edges with two equivalent O(4)Li3Mn3 octahedra, edges with two equivalent O(5)Li3Mn3 octahedra, edges with three equivalent O(1)Li3Mn3 octahedra, and edges with three equivalent O(2)Li3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 0-10°. In the sixth O site, O(6) is bonded in a 6-coordinate geometry to one Li(1), one Li(5), two equivalent Li(4), and two equivalent Mn(1) atoms. In the seventh O site, O(7) is bonded to two equivalent Li(5), three equivalent Li(4), and one Mn(1) atom to form OLi5Mn octahedra that share  a cornercorner with one O(1)Li3Mn3 octahedra,  a cornercorner with one O(5)Li3Mn3 octahedra, corners with two equivalent O(7)Li5Mn octahedra, edges with two equivalent O(1)Li3Mn3 octahedra, and edges with five equivalent O(7)Li5Mn octahedra. The corner-sharing octahedral tilt angles range from 0-5°. is represented by the CIF card [CIF]
data_Li4Mn3O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.000
_cell_length_b   5.103
_cell_length_c   17.508
_cell_angle_alpha   85.213
_cell_angle_beta   87.375
_cell_angle_gamma   76.914
_symmetry_Int_Tables_number   1
_cell_volume   260.091
_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  0.628  0.227  0.786  1.0
  Li  Li1  1  0.073  0.356  0.643  1.0
  Li  Li2  1  0.500  0.500  0.500  1.0
  Li  Li3  1  0.927  0.644  0.357  1.0
  Li  Li4  1  0.372  0.773  0.214  1.0
  Li  Li5  1  0.757  0.940  0.062  1.0
  Li  Li6  1  0.243  0.060  0.938  1.0
  Li  Li7  1  0.500  0.500  0.000  1.0
  Mn  Mn8  1  0.933  0.642  0.863  1.0
  Mn  Mn9  1  0.067  0.358  0.137  1.0
  Mn  Mn10  1  0.371  0.778  0.716  1.0
  Mn  Mn11  1  0.787  0.928  0.572  1.0
  Mn  Mn12  1  0.213  0.072  0.428  1.0
  Mn  Mn13  1  0.629  0.222  0.284  1.0
  O  O14  1  0.336  0.890  0.822  1.0
  O  O15  1  0.692  0.056  0.676  1.0
  O  O16  1  0.114  0.202  0.532  1.0
  O  O17  1  0.543  0.346  0.389  1.0
  O  O18  1  0.970  0.488  0.245  1.0
  O  O19  1  0.479  0.598  0.112  1.0
  O  O20  1  0.851  0.788  0.955  1.0
  O  O21  1  0.030  0.512  0.755  1.0
  O  O22  1  0.457  0.654  0.611  1.0
  O  O23  1  0.886  0.798  0.468  1.0
  O  O24  1  0.308  0.944  0.324  1.0
  O  O25  1  0.664  0.110  0.178  1.0
  O  O26  1  0.149  0.212  0.045  1.0
  O  O27  1  0.521  0.402  0.888  1.0
[/CIF]
.
The structure described by Li4Mn3O7 crystallizes in the triclinic P-1 space group. There are five inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one O(6), two equivalent O(1), and two equivalent O(5) atoms to form distorted LiO6 octahedra that share  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with three equivalent Mn(1)O6 octahedra, and edges with three equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-14°. In the second Li site, Li(2) is bonded to one O(3), one O(5), two equivalent O(2), and two equivalent O(4) atoms to form LiO6 octahedra that share  a cornercorner with one Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with three equivalent Mn(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with three equivalent Mn(2)O6 octahedra, and edges with three equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-6°. In the third Li site, Li(3) is bonded to two equivalent O(4) and four equivalent O(3) atoms to form LiO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra, corners with four equivalent Mn(3)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and edges with six equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-7°. In the fourth Li site, Li(4) is bonded in a 6-coordinate geometry to one O(1), two equivalent O(6), and three equivalent O(7) atoms. In the fifth Li site, Li(5) is bonded to two equivalent O(6) and four equivalent O(7) atoms to form LiO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, and edges with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 12°. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(5), one O(7), two equivalent O(1), and two equivalent O(6) atoms to form MnO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra, corners with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with three equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-14°. In the second Mn site, Mn(2) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(5) atoms to form MnO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra, corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with three equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-6°. In the third Mn site, Mn(3) is bonded to one O(2), two equivalent O(4), and three equivalent O(3) atoms to form MnO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra, corners with two equivalent Li(3)O6 octahedra, corners with three equivalent Li(2)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, edges with three equivalent Li(3)O6 octahedra, and edges with four equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-7°. There are seven inequivalent O sites. In the first O site, O(1) is bonded to one Li(4), two equivalent Li(1), one Mn(2), and two equivalent Mn(1) atoms to form OLi3Mn3 octahedra that share  a cornercorner with one O(4)Li3Mn3 octahedra,  a cornercorner with one O(7)Li5Mn octahedra, corners with two equivalent O(5)Li3Mn3 octahedra, edges with two equivalent O(1)Li3Mn3 octahedra, edges with two equivalent O(2)Li3Mn3 octahedra, edges with two equivalent O(7)Li5Mn octahedra, and edges with three equivalent O(5)Li3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 0-10°. In the second O site, O(2) is bonded to one Li(1), two equivalent Li(2), one Mn(3), and two equivalent Mn(2) atoms to form a mixture of corner and edge-sharing OLi3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the third O site, O(3) is bonded to one Li(2), two equivalent Li(3), and three equivalent Mn(3) atoms to form a mixture of corner and edge-sharing OLi3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the fourth O site, O(4) is bonded to one Li(3), two equivalent Li(2), one Mn(2), and two equivalent Mn(3) atoms to form a mixture of corner and edge-sharing OLi3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. In the fifth O site, O(5) is bonded to one Li(2), two equivalent Li(1), one Mn(1), and two equivalent Mn(2) atoms to form OLi3Mn3 octahedra that share  a cornercorner with one O(3)Li3Mn3 octahedra,  a cornercorner with one O(7)Li5Mn octahedra, corners with two equivalent O(1)Li3Mn3 octahedra, corners with two equivalent O(2)Li3Mn3 octahedra, edges with two equivalent O(4)Li3Mn3 octahedra, edges with two equivalent O(5)Li3Mn3 octahedra, edges with three equivalent O(1)Li3Mn3 octahedra, and edges with three equivalent O(2)Li3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 0-10°. In the sixth O site, O(6) is bonded in a 6-coordinate geometry to one Li(1), one Li(5), two equivalent Li(4), and two equivalent Mn(1) atoms. In the seventh O site, O(7) is bonded to two equivalent Li(5), three equivalent Li(4), and one Mn(1) atom to form OLi5Mn octahedra that share  a cornercorner with one O(1)Li3Mn3 octahedra,  a cornercorner with one O(5)Li3Mn3 octahedra, corners with two equivalent O(7)Li5Mn octahedra, edges with two equivalent O(1)Li3Mn3 octahedra, and edges with five equivalent O(7)Li5Mn octahedra. The corner-sharing octahedral tilt angles range from 0-5°. is represented by the CIF card [CIF]
data_Li4Mn3O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.000
_cell_length_b   5.103
_cell_length_c   17.508
_cell_angle_alpha   85.213
_cell_angle_beta   87.375
_cell_angle_gamma   76.914
_symmetry_Int_Tables_number   1
_cell_volume   260.091
_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  0.628  0.227  0.786  1.0
  Li  Li1  1  0.073  0.356  0.643  1.0
  Li  Li2  1  0.500  0.500  0.500  1.0
  Li  Li3  1  0.927  0.644  0.357  1.0
  Li  Li4  1  0.372  0.773  0.214  1.0
  Li  Li5  1  0.757  0.940  0.062  1.0
  Li  Li6  1  0.243  0.060  0.938  1.0
  Li  Li7  1  0.500  0.500  0.000  1.0
  Mn  Mn8  1  0.933  0.642  0.863  1.0
  Mn  Mn9  1  0.067  0.358  0.137  1.0
  Mn  Mn10  1  0.371  0.778  0.716  1.0
  Mn  Mn11  1  0.787  0.928  0.572  1.0
  Mn  Mn12  1  0.213  0.072  0.428  1.0
  Mn  Mn13  1  0.629  0.222  0.284  1.0
  O  O14  1  0.336  0.890  0.822  1.0
  O  O15  1  0.692  0.056  0.676  1.0
  O  O16  1  0.114  0.202  0.532  1.0
  O  O17  1  0.543  0.346  0.389  1.0
  O  O18  1  0.970  0.488  0.245  1.0
  O  O19  1  0.479  0.598  0.112  1.0
  O  O20  1  0.851  0.788  0.955  1.0
  O  O21  1  0.030  0.512  0.755  1.0
  O  O22  1  0.457  0.654  0.611  1.0
  O  O23  1  0.886  0.798  0.468  1.0
  O  O24  1  0.308  0.944  0.324  1.0
  O  O25  1  0.664  0.110  0.178  1.0
  O  O26  1  0.149  0.212  0.045  1.0
  O  O27  1  0.521  0.402  0.888  1.0
[/CIF]
.