The material described by Li9Mn7O16 is Caswellsilverite-like structured and 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(5), two equivalent O(1), and two equivalent O(6) atoms to form LiO6 octahedra that share corners with three equivalent Mn(1)O6 octahedra, corners with three equivalent Mn(2)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Mn(4)O6 octahedra, and edges with four equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-12°. In the second Li site, Li(2) is bonded to one O(1), one O(6), two equivalent O(2), and two equivalent O(5) atoms to form LiO6 octahedra that share corners with three equivalent Li(5)O6 octahedra, corners with three equivalent Mn(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with four equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-11°. In the third Li site, Li(3) is bonded to one O(4), one O(7), two equivalent O(3), and two equivalent O(8) atoms to form LiO6 octahedra that share corners with three equivalent Mn(1)O6 octahedra, corners with three equivalent Mn(5)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, edges with two equivalent Mn(4)O6 octahedra, and edges with four equivalent Li(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-6°. In the fourth Li site, Li(4) is bonded to one O(3), one O(8), two equivalent O(4), and two equivalent O(7) atoms to form LiO6 octahedra that share corners with three equivalent Mn(3)O6 octahedra, corners with three equivalent Mn(4)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(5)O6 octahedra, and edges with four equivalent Li(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-7°. In the fifth Li site, Li(5) is bonded to two equivalent O(6) and four equivalent O(2) atoms to form LiO6 octahedra that share corners with six equivalent Li(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with four equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-11°. There are five 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(3) atoms to form MnO6 octahedra that share corners with three equivalent Li(1)O6 octahedra, corners with three equivalent Li(3)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with four equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-11°. In the second Mn site, Mn(2) is bonded to two equivalent O(2) and four equivalent O(6) atoms to form MnO6 octahedra that share corners with six equivalent Li(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and edges with four equivalent Li(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-12°. In the third Mn site, Mn(3) is bonded to two equivalent O(8) and four equivalent O(4) atoms to form MnO6 octahedra that share corners with six equivalent Li(4)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, edges with four equivalent Li(3)O6 octahedra, and edges with four equivalent Mn(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-7°. In the fourth Mn site, Mn(4) is bonded to one O(1), one O(3), two equivalent O(5), and two equivalent O(7) atoms to form MnO6 octahedra that share corners with three equivalent Li(2)O6 octahedra, corners with three equivalent Li(4)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Mn(4)O6 octahedra, and edges with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-9°. In the fifth Mn site, Mn(5) is bonded to two equivalent O(4) and four equivalent O(8) atoms to form MnO6 octahedra that share corners with six equivalent Li(3)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Mn(5)O6 octahedra, edges with four equivalent Li(4)O6 octahedra, and edges with four equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-6°. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), two equivalent Li(1), one Mn(4), and two equivalent Mn(1) atoms to form OLi3Mn3 octahedra that share corners with three equivalent O(3)Li3Mn3 octahedra, corners with three equivalent O(6)Li4Mn2 octahedra,  an edgeedge with one O(3)Li3Mn3 octahedra,  an edgeedge with one O(6)Li4Mn2 octahedra, edges with two equivalent O(1)Li3Mn3 octahedra, edges with two equivalent O(7)Li3Mn3 octahedra, edges with two equivalent O(2)Li5Mn octahedra, and edges with four equivalent O(5)Li3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 1-11°. In the second O site, O(2) is bonded to one Li(1), two equivalent Li(2), two equivalent Li(5), and one Mn(2) atom to form OLi5Mn octahedra that share corners with three equivalent O(5)Li3Mn3 octahedra, corners with three equivalent O(2)Li5Mn octahedra,  an edgeedge with one O(5)Li3Mn3 octahedra, edges with two equivalent O(1)Li3Mn3 octahedra, edges with three equivalent O(2)Li5Mn octahedra, and edges with six equivalent O(6)Li4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the third O site, O(3) is bonded to one Li(4), two equivalent Li(3), one Mn(4), and two equivalent Mn(1) 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(4), one Mn(5), 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 0-1°. In the fifth O site, O(5) is bonded to one Li(1), two equivalent Li(2), one Mn(1), and two equivalent Mn(4) atoms to form OLi3Mn3 octahedra that share corners with three equivalent O(7)Li3Mn3 octahedra, corners with three equivalent O(2)Li5Mn octahedra,  an edgeedge with one O(7)Li3Mn3 octahedra,  an edgeedge with one O(2)Li5Mn octahedra, edges with two equivalent O(3)Li3Mn3 octahedra, edges with two equivalent O(5)Li3Mn3 octahedra, edges with two equivalent O(6)Li4Mn2 octahedra, and edges with four equivalent O(1)Li3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 1-7°. In the sixth O site, O(6) is bonded to one Li(2), one Li(5), two equivalent Li(1), and two equivalent Mn(2) atoms to form OLi4Mn2 octahedra that share corners with three equivalent O(1)Li3Mn3 octahedra, corners with three equivalent O(6)Li4Mn2 octahedra,  an edgeedge with one O(1)Li3Mn3 octahedra, edges with two equivalent O(5)Li3Mn3 octahedra, edges with three equivalent O(6)Li4Mn2 octahedra, and edges with six equivalent O(2)Li5Mn octahedra. The corner-sharing octahedral tilt angles range from 0-11°. In the seventh O site, O(7) is bonded to one Li(3), two equivalent Li(4), one Mn(1), and two equivalent Mn(4) atoms to form a mixture of corner and edge-sharing OLi3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the eighth O site, O(8) is bonded to one Li(4), two equivalent Li(3), one Mn(3), and two equivalent Mn(5) atoms to form a mixture of corner and edge-sharing OLi3Mn3 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF file [CIF]
data_Li9Mn7O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.033
_cell_length_b   5.110
_cell_length_c   19.593
_cell_angle_alpha   93.142
_cell_angle_beta   84.347
_cell_angle_gamma   93.870
_symmetry_Int_Tables_number   1
_cell_volume   301.192
_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  0.877  0.365  0.133  1.0
  Li  Li1  1  0.137  0.619  0.369  1.0
  Li  Li2  1  0.375  0.874  0.625  1.0
  Li  Li3  1  0.625  0.125  0.875  1.0
  Li  Li4  1  0.363  0.881  0.131  1.0
  Li  Li5  1  0.623  0.135  0.367  1.0
  Li  Li6  1  0.875  0.375  0.625  1.0
  Li  Li7  1  0.125  0.626  0.875  1.0
  Li  Li8  1  0.250  0.250  0.250  1.0
  Mn  Mn9  1  0.996  0.000  0.001  1.0
  Mn  Mn10  1  0.750  0.750  0.250  1.0
  Mn  Mn11  1  0.504  0.500  0.499  1.0
  Mn  Mn12  1  0.750  0.750  0.750  1.0
  Mn  Mn13  1  0.497  0.502  0.001  1.0
  Mn  Mn14  1  0.003  0.998  0.499  1.0
  Mn  Mn15  1  0.250  0.250  0.750  1.0
  O  O16  1  0.415  0.195  0.058  1.0
  O  O17  1  0.683  0.462  0.309  1.0
  O  O18  1  0.913  0.695  0.558  1.0
  O  O19  1  0.162  0.946  0.808  1.0
  O  O20  1  0.921  0.691  0.056  1.0
  O  O21  1  0.228  0.911  0.304  1.0
  O  O22  1  0.418  0.195  0.558  1.0
  O  O23  1  0.662  0.446  0.808  1.0
  O  O24  1  0.272  0.589  0.196  1.0
  O  O25  1  0.579  0.809  0.444  1.0
  O  O26  1  0.838  0.054  0.692  1.0
  O  O27  1  0.082  0.305  0.942  1.0
  O  O28  1  0.817  0.038  0.191  1.0
  O  O29  1  0.085  0.305  0.442  1.0
  O  O30  1  0.338  0.554  0.692  1.0
  O  O31  1  0.587  0.805  0.942  1.0
[/CIF]
.
The material described by Li9Mn7O16 is Caswellsilverite-like structured and 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(5), two equivalent O(1), and two equivalent O(6) atoms to form LiO6 octahedra that share corners with three equivalent Mn(1)O6 octahedra, corners with three equivalent Mn(2)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Mn(4)O6 octahedra, and edges with four equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-12°. In the second Li site, Li(2) is bonded to one O(1), one O(6), two equivalent O(2), and two equivalent O(5) atoms to form LiO6 octahedra that share corners with three equivalent Li(5)O6 octahedra, corners with three equivalent Mn(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with four equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-11°. In the third Li site, Li(3) is bonded to one O(4), one O(7), two equivalent O(3), and two equivalent O(8) atoms to form LiO6 octahedra that share corners with three equivalent Mn(1)O6 octahedra, corners with three equivalent Mn(5)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, edges with two equivalent Mn(4)O6 octahedra, and edges with four equivalent Li(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-6°. In the fourth Li site, Li(4) is bonded to one O(3), one O(8), two equivalent O(4), and two equivalent O(7) atoms to form LiO6 octahedra that share corners with three equivalent Mn(3)O6 octahedra, corners with three equivalent Mn(4)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(5)O6 octahedra, and edges with four equivalent Li(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-7°. In the fifth Li site, Li(5) is bonded to two equivalent O(6) and four equivalent O(2) atoms to form LiO6 octahedra that share corners with six equivalent Li(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with four equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-11°. There are five 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(3) atoms to form MnO6 octahedra that share corners with three equivalent Li(1)O6 octahedra, corners with three equivalent Li(3)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with four equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-11°. In the second Mn site, Mn(2) is bonded to two equivalent O(2) and four equivalent O(6) atoms to form MnO6 octahedra that share corners with six equivalent Li(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and edges with four equivalent Li(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-12°. In the third Mn site, Mn(3) is bonded to two equivalent O(8) and four equivalent O(4) atoms to form MnO6 octahedra that share corners with six equivalent Li(4)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, edges with four equivalent Li(3)O6 octahedra, and edges with four equivalent Mn(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-7°. In the fourth Mn site, Mn(4) is bonded to one O(1), one O(3), two equivalent O(5), and two equivalent O(7) atoms to form MnO6 octahedra that share corners with three equivalent Li(2)O6 octahedra, corners with three equivalent Li(4)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Mn(4)O6 octahedra, and edges with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-9°. In the fifth Mn site, Mn(5) is bonded to two equivalent O(4) and four equivalent O(8) atoms to form MnO6 octahedra that share corners with six equivalent Li(3)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Mn(5)O6 octahedra, edges with four equivalent Li(4)O6 octahedra, and edges with four equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-6°. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), two equivalent Li(1), one Mn(4), and two equivalent Mn(1) atoms to form OLi3Mn3 octahedra that share corners with three equivalent O(3)Li3Mn3 octahedra, corners with three equivalent O(6)Li4Mn2 octahedra,  an edgeedge with one O(3)Li3Mn3 octahedra,  an edgeedge with one O(6)Li4Mn2 octahedra, edges with two equivalent O(1)Li3Mn3 octahedra, edges with two equivalent O(7)Li3Mn3 octahedra, edges with two equivalent O(2)Li5Mn octahedra, and edges with four equivalent O(5)Li3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 1-11°. In the second O site, O(2) is bonded to one Li(1), two equivalent Li(2), two equivalent Li(5), and one Mn(2) atom to form OLi5Mn octahedra that share corners with three equivalent O(5)Li3Mn3 octahedra, corners with three equivalent O(2)Li5Mn octahedra,  an edgeedge with one O(5)Li3Mn3 octahedra, edges with two equivalent O(1)Li3Mn3 octahedra, edges with three equivalent O(2)Li5Mn octahedra, and edges with six equivalent O(6)Li4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the third O site, O(3) is bonded to one Li(4), two equivalent Li(3), one Mn(4), and two equivalent Mn(1) 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(4), one Mn(5), 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 0-1°. In the fifth O site, O(5) is bonded to one Li(1), two equivalent Li(2), one Mn(1), and two equivalent Mn(4) atoms to form OLi3Mn3 octahedra that share corners with three equivalent O(7)Li3Mn3 octahedra, corners with three equivalent O(2)Li5Mn octahedra,  an edgeedge with one O(7)Li3Mn3 octahedra,  an edgeedge with one O(2)Li5Mn octahedra, edges with two equivalent O(3)Li3Mn3 octahedra, edges with two equivalent O(5)Li3Mn3 octahedra, edges with two equivalent O(6)Li4Mn2 octahedra, and edges with four equivalent O(1)Li3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 1-7°. In the sixth O site, O(6) is bonded to one Li(2), one Li(5), two equivalent Li(1), and two equivalent Mn(2) atoms to form OLi4Mn2 octahedra that share corners with three equivalent O(1)Li3Mn3 octahedra, corners with three equivalent O(6)Li4Mn2 octahedra,  an edgeedge with one O(1)Li3Mn3 octahedra, edges with two equivalent O(5)Li3Mn3 octahedra, edges with three equivalent O(6)Li4Mn2 octahedra, and edges with six equivalent O(2)Li5Mn octahedra. The corner-sharing octahedral tilt angles range from 0-11°. In the seventh O site, O(7) is bonded to one Li(3), two equivalent Li(4), one Mn(1), and two equivalent Mn(4) atoms to form a mixture of corner and edge-sharing OLi3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the eighth O site, O(8) is bonded to one Li(4), two equivalent Li(3), one Mn(3), and two equivalent Mn(5) atoms to form a mixture of corner and edge-sharing OLi3Mn3 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF file [CIF]
data_Li9Mn7O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.033
_cell_length_b   5.110
_cell_length_c   19.593
_cell_angle_alpha   93.142
_cell_angle_beta   84.347
_cell_angle_gamma   93.870
_symmetry_Int_Tables_number   1
_cell_volume   301.192
_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  0.877  0.365  0.133  1.0
  Li  Li1  1  0.137  0.619  0.369  1.0
  Li  Li2  1  0.375  0.874  0.625  1.0
  Li  Li3  1  0.625  0.125  0.875  1.0
  Li  Li4  1  0.363  0.881  0.131  1.0
  Li  Li5  1  0.623  0.135  0.367  1.0
  Li  Li6  1  0.875  0.375  0.625  1.0
  Li  Li7  1  0.125  0.626  0.875  1.0
  Li  Li8  1  0.250  0.250  0.250  1.0
  Mn  Mn9  1  0.996  0.000  0.001  1.0
  Mn  Mn10  1  0.750  0.750  0.250  1.0
  Mn  Mn11  1  0.504  0.500  0.499  1.0
  Mn  Mn12  1  0.750  0.750  0.750  1.0
  Mn  Mn13  1  0.497  0.502  0.001  1.0
  Mn  Mn14  1  0.003  0.998  0.499  1.0
  Mn  Mn15  1  0.250  0.250  0.750  1.0
  O  O16  1  0.415  0.195  0.058  1.0
  O  O17  1  0.683  0.462  0.309  1.0
  O  O18  1  0.913  0.695  0.558  1.0
  O  O19  1  0.162  0.946  0.808  1.0
  O  O20  1  0.921  0.691  0.056  1.0
  O  O21  1  0.228  0.911  0.304  1.0
  O  O22  1  0.418  0.195  0.558  1.0
  O  O23  1  0.662  0.446  0.808  1.0
  O  O24  1  0.272  0.589  0.196  1.0
  O  O25  1  0.579  0.809  0.444  1.0
  O  O26  1  0.838  0.054  0.692  1.0
  O  O27  1  0.082  0.305  0.942  1.0
  O  O28  1  0.817  0.038  0.191  1.0
  O  O29  1  0.085  0.305  0.442  1.0
  O  O30  1  0.338  0.554  0.692  1.0
  O  O31  1  0.587  0.805  0.942  1.0
[/CIF]
.