The compound described by Li2MnCoO4 is Caswellsilverite-derived structured and crystallizes in the monoclinic P2_1/m space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(4), two equivalent O(2), and three equivalent O(1) atoms to form LiO6 octahedra that share corners with three equivalent Mn(1)O6 octahedra, corners with three equivalent Co(1)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with five equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-6°. In the second Li site, Li(2) is bonded to one O(2), two equivalent O(4), and three equivalent O(3) atoms to form LiO6 octahedra that share corners with three equivalent Mn(1)O6 octahedra, corners with three equivalent Co(1)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and edges with five equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-8°. Mn(1) is bonded to one O(4), two equivalent O(2), and three equivalent O(3) atoms to form MnO6 octahedra that share corners with three equivalent Li(1)O6 octahedra, corners with three equivalent Li(2)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with four equivalent Mn(1)O6 octahedra, and edges with five equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-7°. Co(1) is bonded to one O(2), two equivalent O(4), and three equivalent O(1) atoms to form CoO6 octahedra that share corners with three equivalent Li(1)O6 octahedra, corners with three equivalent Li(2)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with four equivalent Co(1)O6 octahedra, and edges with five equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-8°. There are four inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Li(1) and three equivalent Co(1) atoms to form OLi3Co3 octahedra that share corners with three equivalent O(2)Li3Mn2Co octahedra, corners with three equivalent O(4)Li3MnCo2 octahedra, edges with three equivalent O(2)Li3Mn2Co octahedra, edges with three equivalent O(4)Li3MnCo2 octahedra, and edges with six equivalent O(1)Li3Co3 octahedra. The corner-sharing octahedral tilt angles are 2°. In the second O site, O(2) is bonded to one Li(2), two equivalent Li(1), two equivalent Mn(1), and one Co(1) atom to form OLi3Mn2Co octahedra that share corners with three equivalent O(1)Li3Co3 octahedra, corners with three equivalent O(3)Li3Mn3 octahedra, edges with two equivalent O(2)Li3Mn2Co octahedra, edges with three equivalent O(1)Li3Co3 octahedra, edges with three equivalent O(3)Li3Mn3 octahedra, and edges with four equivalent O(4)Li3MnCo2 octahedra. The corner-sharing octahedral tilt angles range from 1-3°. In the third O site, O(3) is bonded to three equivalent Li(2) and three equivalent Mn(1) atoms to form OLi3Mn3 octahedra that share corners with three equivalent O(2)Li3Mn2Co octahedra, corners with three equivalent O(4)Li3MnCo2 octahedra, edges with three equivalent O(2)Li3Mn2Co octahedra, edges with three equivalent O(4)Li3MnCo2 octahedra, and edges with six equivalent O(3)Li3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 1-3°. In the fourth O site, O(4) is bonded to one Li(1), two equivalent Li(2), one Mn(1), and two equivalent Co(1) atoms to form OLi3MnCo2 octahedra that share corners with three equivalent O(1)Li3Co3 octahedra, corners with three equivalent O(3)Li3Mn3 octahedra, edges with two equivalent O(4)Li3MnCo2 octahedra, edges with three equivalent O(1)Li3Co3 octahedra, edges with three equivalent O(3)Li3Mn3 octahedra, and edges with four equivalent O(2)Li3Mn2Co octahedra. The corner-sharing octahedral tilt angles range from 2-3°. is represented by the CIF card [CIF]
data_Li2MnCoO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.876
_cell_length_b   5.274
_cell_length_c   9.869
_cell_angle_alpha   82.029
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   148.277
_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  0.750  0.626  0.878  1.0
  Li  Li1  1  0.250  0.874  0.629  1.0
  Li  Li2  1  0.750  0.126  0.371  1.0
  Li  Li3  1  0.250  0.374  0.122  1.0
  Mn  Mn4  1  0.750  0.363  0.630  1.0
  Mn  Mn5  1  0.250  0.637  0.370  1.0
  Co  Co6  1  0.250  0.113  0.879  1.0
  Co  Co7  1  0.750  0.887  0.121  1.0
  O  O8  1  0.750  0.236  0.998  1.0
  O  O9  1  0.250  0.477  0.742  1.0
  O  O10  1  0.750  0.736  0.488  1.0
  O  O11  1  0.250  0.998  0.245  1.0
  O  O12  1  0.750  0.002  0.755  1.0
  O  O13  1  0.250  0.264  0.512  1.0
  O  O14  1  0.750  0.522  0.258  1.0
  O  O15  1  0.250  0.764  0.002  1.0
[/CIF]
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The compound described by Li2MnCoO4 is Caswellsilverite-derived structured and crystallizes in the monoclinic P2_1/m space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(4), two equivalent O(2), and three equivalent O(1) atoms to form LiO6 octahedra that share corners with three equivalent Mn(1)O6 octahedra, corners with three equivalent Co(1)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with five equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-6°. In the second Li site, Li(2) is bonded to one O(2), two equivalent O(4), and three equivalent O(3) atoms to form LiO6 octahedra that share corners with three equivalent Mn(1)O6 octahedra, corners with three equivalent Co(1)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and edges with five equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-8°. Mn(1) is bonded to one O(4), two equivalent O(2), and three equivalent O(3) atoms to form MnO6 octahedra that share corners with three equivalent Li(1)O6 octahedra, corners with three equivalent Li(2)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with four equivalent Mn(1)O6 octahedra, and edges with five equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-7°. Co(1) is bonded to one O(2), two equivalent O(4), and three equivalent O(1) atoms to form CoO6 octahedra that share corners with three equivalent Li(1)O6 octahedra, corners with three equivalent Li(2)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with four equivalent Co(1)O6 octahedra, and edges with five equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-8°. There are four inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Li(1) and three equivalent Co(1) atoms to form OLi3Co3 octahedra that share corners with three equivalent O(2)Li3Mn2Co octahedra, corners with three equivalent O(4)Li3MnCo2 octahedra, edges with three equivalent O(2)Li3Mn2Co octahedra, edges with three equivalent O(4)Li3MnCo2 octahedra, and edges with six equivalent O(1)Li3Co3 octahedra. The corner-sharing octahedral tilt angles are 2°. In the second O site, O(2) is bonded to one Li(2), two equivalent Li(1), two equivalent Mn(1), and one Co(1) atom to form OLi3Mn2Co octahedra that share corners with three equivalent O(1)Li3Co3 octahedra, corners with three equivalent O(3)Li3Mn3 octahedra, edges with two equivalent O(2)Li3Mn2Co octahedra, edges with three equivalent O(1)Li3Co3 octahedra, edges with three equivalent O(3)Li3Mn3 octahedra, and edges with four equivalent O(4)Li3MnCo2 octahedra. The corner-sharing octahedral tilt angles range from 1-3°. In the third O site, O(3) is bonded to three equivalent Li(2) and three equivalent Mn(1) atoms to form OLi3Mn3 octahedra that share corners with three equivalent O(2)Li3Mn2Co octahedra, corners with three equivalent O(4)Li3MnCo2 octahedra, edges with three equivalent O(2)Li3Mn2Co octahedra, edges with three equivalent O(4)Li3MnCo2 octahedra, and edges with six equivalent O(3)Li3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 1-3°. In the fourth O site, O(4) is bonded to one Li(1), two equivalent Li(2), one Mn(1), and two equivalent Co(1) atoms to form OLi3MnCo2 octahedra that share corners with three equivalent O(1)Li3Co3 octahedra, corners with three equivalent O(3)Li3Mn3 octahedra, edges with two equivalent O(4)Li3MnCo2 octahedra, edges with three equivalent O(1)Li3Co3 octahedra, edges with three equivalent O(3)Li3Mn3 octahedra, and edges with four equivalent O(2)Li3Mn2Co octahedra. The corner-sharing octahedral tilt angles range from 2-3°. is represented by the CIF card [CIF]
data_Li2MnCoO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.876
_cell_length_b   5.274
_cell_length_c   9.869
_cell_angle_alpha   82.029
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   148.277
_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  0.750  0.626  0.878  1.0
  Li  Li1  1  0.250  0.874  0.629  1.0
  Li  Li2  1  0.750  0.126  0.371  1.0
  Li  Li3  1  0.250  0.374  0.122  1.0
  Mn  Mn4  1  0.750  0.363  0.630  1.0
  Mn  Mn5  1  0.250  0.637  0.370  1.0
  Co  Co6  1  0.250  0.113  0.879  1.0
  Co  Co7  1  0.750  0.887  0.121  1.0
  O  O8  1  0.750  0.236  0.998  1.0
  O  O9  1  0.250  0.477  0.742  1.0
  O  O10  1  0.750  0.736  0.488  1.0
  O  O11  1  0.250  0.998  0.245  1.0
  O  O12  1  0.750  0.002  0.755  1.0
  O  O13  1  0.250  0.264  0.512  1.0
  O  O14  1  0.750  0.522  0.258  1.0
  O  O15  1  0.250  0.764  0.002  1.0
[/CIF]
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