The structure described by LiMnO2 is Caswellsilverite-like structured and crystallizes in the triclinic P-1 space group. There are six inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), one O(5), one O(6), one O(7), and one O(8) atom to form LiO6 octahedra that share corners with three equivalent Li(2)O6 octahedra, corners with three equivalent Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra,  an edgeedge with one Mn(6)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, and edges with two equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-11°. In the second Li site, Li(2) is bonded to two equivalent O(2), two equivalent O(5), and two equivalent O(7) atoms to form LiO6 octahedra that share corners with six equivalent Li(1)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, edges with two equivalent Mn(4)O6 octahedra, and edges with two equivalent Mn(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-11°. In the third Li site, Li(3) is bonded to two equivalent O(1), two equivalent O(6), and two equivalent O(8) atoms to form LiO6 octahedra that share corners with six equivalent Li(1)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, edges with two equivalent Mn(4)O6 octahedra, and edges with two equivalent Mn(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-11°. In the fourth Li site, Li(4) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(7) atoms to form LiO6 octahedra that share corners with six equivalent Mn(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, and edges with two equivalent Mn(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-8°. In the fifth Li site, Li(5) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(8) atoms to form LiO6 octahedra that share corners with six equivalent Mn(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, and edges with two equivalent Mn(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-9°. In the sixth Li site, Li(6) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form LiO6 octahedra that share corners with three equivalent Mn(5)O6 octahedra, corners with three equivalent Mn(6)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(5)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 Mn(3)O6 octahedra, and edges with two equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-9°. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(4), two equivalent O(6), and two equivalent O(8) atoms to form MnO6 octahedra that share corners with six equivalent Mn(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, edges with two equivalent Mn(4)O6 octahedra, and edges with two equivalent Mn(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-11°. In the second Mn site, Mn(2) is bonded to two equivalent O(3), two equivalent O(5), and two equivalent O(7) atoms to form MnO6 octahedra that share corners with six 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(4)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, edges with two equivalent Mn(4)O6 octahedra, and edges with two equivalent Mn(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-8°. In the third Mn site, Mn(3) is bonded to one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form MnO6 octahedra that share corners with three equivalent Mn(1)O6 octahedra, corners with three equivalent Mn(2)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra,  an edgeedge with one Mn(6)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, and edges with two equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-11°. In the fourth Mn site, Mn(4) is bonded to one O(1), one O(2), one O(3), one O(4), one O(7), and one O(8) atom to form MnO6 octahedra that share corners with three equivalent Li(4)O6 octahedra, corners with three equivalent Li(5)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra,  an edgeedge with one Mn(6)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, and edges with two equivalent Mn(3)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(1), two equivalent O(4), and two equivalent O(6) atoms to form MnO6 octahedra that share corners with six equivalent Li(6)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, and edges with two equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-8°. In the sixth Mn site, Mn(6) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms to form MnO6 octahedra that share corners with six equivalent Li(6)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, and edges with two equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-9°. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(3), one Li(5), one Li(6), one Mn(4), and one Mn(5) atom to form OLi4Mn2 octahedra that share corners with three equivalent O(1)Li4Mn2 octahedra, corners with three equivalent O(2)Li4Mn2 octahedra,  an edgeedge with one O(3)Li2Mn4 octahedra,  an edgeedge with one O(5)Li3Mn3 octahedra,  an edgeedge with one O(7)Li3Mn3 octahedra, edges with three equivalent O(4)Li2Mn4 octahedra, edges with three equivalent O(6)Li3Mn3 octahedra, and edges with three equivalent O(8)Li3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the second O site, O(2) is bonded to one Li(1), one Li(2), one Li(4), one Li(6), one Mn(4), and one Mn(6) atom to form OLi4Mn2 octahedra that share corners with three equivalent O(1)Li4Mn2 octahedra, corners with three equivalent O(2)Li4Mn2 octahedra,  an edgeedge with one O(4)Li2Mn4 octahedra,  an edgeedge with one O(6)Li3Mn3 octahedra,  an edgeedge with one O(8)Li3Mn3 octahedra, edges with three equivalent O(3)Li2Mn4 octahedra, edges with three equivalent O(5)Li3Mn3 octahedra, and edges with three equivalent O(7)Li3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the third O site, O(3) is bonded to one Li(4), one Li(6), one Mn(2), one Mn(3), one Mn(4), and one Mn(6) atom to form OLi2Mn4 octahedra that share corners with three equivalent O(3)Li2Mn4 octahedra, corners with three equivalent O(4)Li2Mn4 octahedra,  an edgeedge with one O(6)Li3Mn3 octahedra,  an edgeedge with one O(8)Li3Mn3 octahedra,  an edgeedge with one O(1)Li4Mn2 octahedra, edges with three equivalent O(5)Li3Mn3 octahedra, edges with three equivalent O(7)Li3Mn3 octahedra, and edges with three equivalent O(2)Li4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the fourth O site, O(4) is bonded to one Li(5), one Li(6), one Mn(1), one Mn(3), one Mn(4), and one Mn(5) atom to form OLi2Mn4 octahedra that share corners with three equivalent O(3)Li2Mn4 octahedra, corners with three equivalent O(4)Li2Mn4 octahedra,  an edgeedge with one O(5)Li3Mn3 octahedra,  an edgeedge with one O(7)Li3Mn3 octahedra,  an edgeedge with one O(2)Li4Mn2 octahedra, edges with three equivalent O(6)Li3Mn3 octahedra, edges with three equivalent O(8)Li3Mn3 octahedra, and edges with three equivalent O(1)Li4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the fifth O site, O(5) is bonded to one Li(1), one Li(2), one Li(6), one Mn(2), one Mn(3), and one Mn(6) atom to form OLi3Mn3 octahedra that share corners with three equivalent O(5)Li3Mn3 octahedra, corners with three equivalent O(6)Li3Mn3 octahedra,  an edgeedge with one O(4)Li2Mn4 octahedra,  an edgeedge with one O(8)Li3Mn3 octahedra,  an edgeedge with one O(1)Li4Mn2 octahedra, edges with three equivalent O(3)Li2Mn4 octahedra, edges with three equivalent O(7)Li3Mn3 octahedra, and edges with three equivalent O(2)Li4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. In the sixth O site, O(6) is bonded to one Li(1), one Li(3), one Li(6), one Mn(1), one Mn(3), and one Mn(5) atom to form OLi3Mn3 octahedra that share corners with three equivalent O(5)Li3Mn3 octahedra, corners with three equivalent O(6)Li3Mn3 octahedra,  an edgeedge with one O(3)Li2Mn4 octahedra,  an edgeedge with one O(7)Li3Mn3 octahedra,  an edgeedge with one O(2)Li4Mn2 octahedra, edges with three equivalent O(4)Li2Mn4 octahedra, edges with three equivalent O(8)Li3Mn3 octahedra, and edges with three equivalent O(1)Li4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. In the seventh O site, O(7) is bonded to one Li(1), one Li(2), one Li(4), one Mn(2), one Mn(3), and one Mn(4) atom to form OLi3Mn3 octahedra that share corners with three equivalent O(7)Li3Mn3 octahedra, corners with three equivalent O(8)Li3Mn3 octahedra,  an edgeedge with one O(4)Li2Mn4 octahedra,  an edgeedge with one O(6)Li3Mn3 octahedra,  an edgeedge with one O(1)Li4Mn2 octahedra, edges with three equivalent O(3)Li2Mn4 octahedra, edges with three equivalent O(5)Li3Mn3 octahedra, and edges with three equivalent O(2)Li4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the eighth O site, O(8) is bonded to one Li(1), one Li(3), one Li(5), one Mn(1), one Mn(3), and one Mn(4) atom to form OLi3Mn3 octahedra that share corners with three equivalent O(7)Li3Mn3 octahedra, corners with three equivalent O(8)Li3Mn3 octahedra,  an edgeedge with one O(3)Li2Mn4 octahedra,  an edgeedge with one O(5)Li3Mn3 octahedra,  an edgeedge with one O(2)Li4Mn2 octahedra, edges with three equivalent O(4)Li2Mn4 octahedra, edges with three equivalent O(6)Li3Mn3 octahedra, and edges with three equivalent O(1)Li4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. is represented by the CIF file [CIF]
data_LiMnO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.913
_cell_length_b   6.017
_cell_length_c   10.271
_cell_angle_alpha   89.413
_cell_angle_beta   106.408
_cell_angle_gamma   120.007
_symmetry_Int_Tables_number   1
_cell_volume   299.753
_cell_formula_units_Z   8
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  0.006  0.253  0.750  1.0
  Li  Li1  1  0.994  0.747  0.250  1.0
  Li  Li2  1  0.500  0.000  0.000  1.0
  Li  Li3  1  0.500  0.500  0.500  1.0
  Li  Li4  1  0.000  0.500  0.000  1.0
  Li  Li5  1  1.000  1.000  0.500  1.0
  Li  Li6  1  0.023  0.769  0.758  1.0
  Li  Li7  1  0.977  0.231  0.242  1.0
  Mn  Mn8  1  0.000  0.500  0.500  1.0
  Mn  Mn9  1  0.000  1.000  1.000  1.0
  Mn  Mn10  1  0.515  0.264  0.754  1.0
  Mn  Mn11  1  0.485  0.736  0.246  1.0
  Mn  Mn12  1  0.502  0.753  0.749  1.0
  Mn  Mn13  1  0.498  0.247  0.251  1.0
  Mn  Mn14  1  0.500  0.000  0.500  1.0
  Mn  Mn15  1  0.500  0.500  1.000  1.0
  O  O16  1  0.718  0.880  0.622  1.0
  O  O17  1  0.714  0.374  0.126  1.0
  O  O18  1  0.282  0.120  0.378  1.0
  O  O19  1  0.286  0.626  0.873  1.0
  O  O20  1  0.780  0.636  0.877  1.0
  O  O21  1  0.733  0.092  0.382  1.0
  O  O22  1  0.221  0.364  0.123  1.0
  O  O23  1  0.266  0.908  0.618  1.0
  O  O24  1  0.261  0.144  0.884  1.0
  O  O25  1  0.256  0.648  0.391  1.0
  O  O26  1  0.250  0.900  0.127  1.0
  O  O27  1  0.255  0.408  0.626  1.0
  O  O28  1  0.739  0.856  0.116  1.0
  O  O29  1  0.744  0.352  0.609  1.0
  O  O30  1  0.750  0.100  0.873  1.0
  O  O31  1  0.745  0.591  0.374  1.0
[/CIF]
.
The structure described by LiMnO2 is Caswellsilverite-like structured and crystallizes in the triclinic P-1 space group. There are six inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), one O(5), one O(6), one O(7), and one O(8) atom to form LiO6 octahedra that share corners with three equivalent Li(2)O6 octahedra, corners with three equivalent Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra,  an edgeedge with one Mn(6)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, and edges with two equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-11°. In the second Li site, Li(2) is bonded to two equivalent O(2), two equivalent O(5), and two equivalent O(7) atoms to form LiO6 octahedra that share corners with six equivalent Li(1)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, edges with two equivalent Mn(4)O6 octahedra, and edges with two equivalent Mn(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-11°. In the third Li site, Li(3) is bonded to two equivalent O(1), two equivalent O(6), and two equivalent O(8) atoms to form LiO6 octahedra that share corners with six equivalent Li(1)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, edges with two equivalent Mn(4)O6 octahedra, and edges with two equivalent Mn(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-11°. In the fourth Li site, Li(4) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(7) atoms to form LiO6 octahedra that share corners with six equivalent Mn(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, and edges with two equivalent Mn(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-8°. In the fifth Li site, Li(5) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(8) atoms to form LiO6 octahedra that share corners with six equivalent Mn(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, and edges with two equivalent Mn(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-9°. In the sixth Li site, Li(6) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form LiO6 octahedra that share corners with three equivalent Mn(5)O6 octahedra, corners with three equivalent Mn(6)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(5)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 Mn(3)O6 octahedra, and edges with two equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-9°. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(4), two equivalent O(6), and two equivalent O(8) atoms to form MnO6 octahedra that share corners with six equivalent Mn(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, edges with two equivalent Mn(4)O6 octahedra, and edges with two equivalent Mn(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-11°. In the second Mn site, Mn(2) is bonded to two equivalent O(3), two equivalent O(5), and two equivalent O(7) atoms to form MnO6 octahedra that share corners with six 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(4)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, edges with two equivalent Mn(4)O6 octahedra, and edges with two equivalent Mn(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-8°. In the third Mn site, Mn(3) is bonded to one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form MnO6 octahedra that share corners with three equivalent Mn(1)O6 octahedra, corners with three equivalent Mn(2)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra,  an edgeedge with one Mn(6)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, and edges with two equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-11°. In the fourth Mn site, Mn(4) is bonded to one O(1), one O(2), one O(3), one O(4), one O(7), and one O(8) atom to form MnO6 octahedra that share corners with three equivalent Li(4)O6 octahedra, corners with three equivalent Li(5)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra,  an edgeedge with one Mn(6)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, and edges with two equivalent Mn(3)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(1), two equivalent O(4), and two equivalent O(6) atoms to form MnO6 octahedra that share corners with six equivalent Li(6)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, and edges with two equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-8°. In the sixth Mn site, Mn(6) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms to form MnO6 octahedra that share corners with six equivalent Li(6)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, and edges with two equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-9°. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(3), one Li(5), one Li(6), one Mn(4), and one Mn(5) atom to form OLi4Mn2 octahedra that share corners with three equivalent O(1)Li4Mn2 octahedra, corners with three equivalent O(2)Li4Mn2 octahedra,  an edgeedge with one O(3)Li2Mn4 octahedra,  an edgeedge with one O(5)Li3Mn3 octahedra,  an edgeedge with one O(7)Li3Mn3 octahedra, edges with three equivalent O(4)Li2Mn4 octahedra, edges with three equivalent O(6)Li3Mn3 octahedra, and edges with three equivalent O(8)Li3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the second O site, O(2) is bonded to one Li(1), one Li(2), one Li(4), one Li(6), one Mn(4), and one Mn(6) atom to form OLi4Mn2 octahedra that share corners with three equivalent O(1)Li4Mn2 octahedra, corners with three equivalent O(2)Li4Mn2 octahedra,  an edgeedge with one O(4)Li2Mn4 octahedra,  an edgeedge with one O(6)Li3Mn3 octahedra,  an edgeedge with one O(8)Li3Mn3 octahedra, edges with three equivalent O(3)Li2Mn4 octahedra, edges with three equivalent O(5)Li3Mn3 octahedra, and edges with three equivalent O(7)Li3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the third O site, O(3) is bonded to one Li(4), one Li(6), one Mn(2), one Mn(3), one Mn(4), and one Mn(6) atom to form OLi2Mn4 octahedra that share corners with three equivalent O(3)Li2Mn4 octahedra, corners with three equivalent O(4)Li2Mn4 octahedra,  an edgeedge with one O(6)Li3Mn3 octahedra,  an edgeedge with one O(8)Li3Mn3 octahedra,  an edgeedge with one O(1)Li4Mn2 octahedra, edges with three equivalent O(5)Li3Mn3 octahedra, edges with three equivalent O(7)Li3Mn3 octahedra, and edges with three equivalent O(2)Li4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the fourth O site, O(4) is bonded to one Li(5), one Li(6), one Mn(1), one Mn(3), one Mn(4), and one Mn(5) atom to form OLi2Mn4 octahedra that share corners with three equivalent O(3)Li2Mn4 octahedra, corners with three equivalent O(4)Li2Mn4 octahedra,  an edgeedge with one O(5)Li3Mn3 octahedra,  an edgeedge with one O(7)Li3Mn3 octahedra,  an edgeedge with one O(2)Li4Mn2 octahedra, edges with three equivalent O(6)Li3Mn3 octahedra, edges with three equivalent O(8)Li3Mn3 octahedra, and edges with three equivalent O(1)Li4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the fifth O site, O(5) is bonded to one Li(1), one Li(2), one Li(6), one Mn(2), one Mn(3), and one Mn(6) atom to form OLi3Mn3 octahedra that share corners with three equivalent O(5)Li3Mn3 octahedra, corners with three equivalent O(6)Li3Mn3 octahedra,  an edgeedge with one O(4)Li2Mn4 octahedra,  an edgeedge with one O(8)Li3Mn3 octahedra,  an edgeedge with one O(1)Li4Mn2 octahedra, edges with three equivalent O(3)Li2Mn4 octahedra, edges with three equivalent O(7)Li3Mn3 octahedra, and edges with three equivalent O(2)Li4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. In the sixth O site, O(6) is bonded to one Li(1), one Li(3), one Li(6), one Mn(1), one Mn(3), and one Mn(5) atom to form OLi3Mn3 octahedra that share corners with three equivalent O(5)Li3Mn3 octahedra, corners with three equivalent O(6)Li3Mn3 octahedra,  an edgeedge with one O(3)Li2Mn4 octahedra,  an edgeedge with one O(7)Li3Mn3 octahedra,  an edgeedge with one O(2)Li4Mn2 octahedra, edges with three equivalent O(4)Li2Mn4 octahedra, edges with three equivalent O(8)Li3Mn3 octahedra, and edges with three equivalent O(1)Li4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. In the seventh O site, O(7) is bonded to one Li(1), one Li(2), one Li(4), one Mn(2), one Mn(3), and one Mn(4) atom to form OLi3Mn3 octahedra that share corners with three equivalent O(7)Li3Mn3 octahedra, corners with three equivalent O(8)Li3Mn3 octahedra,  an edgeedge with one O(4)Li2Mn4 octahedra,  an edgeedge with one O(6)Li3Mn3 octahedra,  an edgeedge with one O(1)Li4Mn2 octahedra, edges with three equivalent O(3)Li2Mn4 octahedra, edges with three equivalent O(5)Li3Mn3 octahedra, and edges with three equivalent O(2)Li4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the eighth O site, O(8) is bonded to one Li(1), one Li(3), one Li(5), one Mn(1), one Mn(3), and one Mn(4) atom to form OLi3Mn3 octahedra that share corners with three equivalent O(7)Li3Mn3 octahedra, corners with three equivalent O(8)Li3Mn3 octahedra,  an edgeedge with one O(3)Li2Mn4 octahedra,  an edgeedge with one O(5)Li3Mn3 octahedra,  an edgeedge with one O(2)Li4Mn2 octahedra, edges with three equivalent O(4)Li2Mn4 octahedra, edges with three equivalent O(6)Li3Mn3 octahedra, and edges with three equivalent O(1)Li4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. is represented by the CIF file [CIF]
data_LiMnO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.913
_cell_length_b   6.017
_cell_length_c   10.271
_cell_angle_alpha   89.413
_cell_angle_beta   106.408
_cell_angle_gamma   120.007
_symmetry_Int_Tables_number   1
_cell_volume   299.753
_cell_formula_units_Z   8
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  0.006  0.253  0.750  1.0
  Li  Li1  1  0.994  0.747  0.250  1.0
  Li  Li2  1  0.500  0.000  0.000  1.0
  Li  Li3  1  0.500  0.500  0.500  1.0
  Li  Li4  1  0.000  0.500  0.000  1.0
  Li  Li5  1  1.000  1.000  0.500  1.0
  Li  Li6  1  0.023  0.769  0.758  1.0
  Li  Li7  1  0.977  0.231  0.242  1.0
  Mn  Mn8  1  0.000  0.500  0.500  1.0
  Mn  Mn9  1  0.000  1.000  1.000  1.0
  Mn  Mn10  1  0.515  0.264  0.754  1.0
  Mn  Mn11  1  0.485  0.736  0.246  1.0
  Mn  Mn12  1  0.502  0.753  0.749  1.0
  Mn  Mn13  1  0.498  0.247  0.251  1.0
  Mn  Mn14  1  0.500  0.000  0.500  1.0
  Mn  Mn15  1  0.500  0.500  1.000  1.0
  O  O16  1  0.718  0.880  0.622  1.0
  O  O17  1  0.714  0.374  0.126  1.0
  O  O18  1  0.282  0.120  0.378  1.0
  O  O19  1  0.286  0.626  0.873  1.0
  O  O20  1  0.780  0.636  0.877  1.0
  O  O21  1  0.733  0.092  0.382  1.0
  O  O22  1  0.221  0.364  0.123  1.0
  O  O23  1  0.266  0.908  0.618  1.0
  O  O24  1  0.261  0.144  0.884  1.0
  O  O25  1  0.256  0.648  0.391  1.0
  O  O26  1  0.250  0.900  0.127  1.0
  O  O27  1  0.255  0.408  0.626  1.0
  O  O28  1  0.739  0.856  0.116  1.0
  O  O29  1  0.744  0.352  0.609  1.0
  O  O30  1  0.750  0.100  0.873  1.0
  O  O31  1  0.745  0.591  0.374  1.0
[/CIF]
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