The material described by Li5Mn(CoO4)2 is Caswellsilverite-derived structured and crystallizes in the triclinic P-1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms to form LiO6 octahedra that share corners with three equivalent Mn(1)O6 octahedra, corners with three equivalent Co(2)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and edges with four equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-12°. In the second Li site, Li(2) is bonded to one O(2), one O(3), two equivalent O(1), and two equivalent O(4) atoms to form LiO6 octahedra that share corners with three equivalent Li(3)O6 octahedra, corners with three equivalent Co(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with four equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-12°. In the third Li site, Li(3) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) 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 Mn(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with four equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-12°. Mn(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) 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 Li(3)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with four equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-7°. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form CoO6 octahedra that share corners with six equivalent Li(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with four equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-10°. In the second Co site, Co(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form CoO6 octahedra that share corners with six equivalent Li(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and edges with four equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-12°. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(3), two equivalent Li(2), one Co(1), and one Co(2) atom to form OLi4Co2 octahedra that share corners with three equivalent O(1)Li4Co2 octahedra, corners with three equivalent O(4)Li4MnCo octahedra,  an edgeedge with one O(1)Li4Co2 octahedra, edges with three equivalent O(4)Li4MnCo octahedra, edges with four equivalent O(2)Li3MnCo2 octahedra, and edges with four equivalent O(3)Li4MnCo octahedra. The corner-sharing octahedral tilt angles range from 0-8°. In the second O site, O(2) is bonded to one Li(2), two equivalent Li(1), one Mn(1), one Co(1), and one Co(2) atom to form OLi3MnCo2 octahedra that share corners with three equivalent O(2)Li3MnCo2 octahedra, corners with three equivalent O(3)Li4MnCo octahedra,  an edgeedge with one O(2)Li3MnCo2 octahedra, edges with three equivalent O(3)Li4MnCo octahedra, edges with four equivalent O(1)Li4Co2 octahedra, and edges with four equivalent O(4)Li4MnCo octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the third O site, O(3) is bonded to one Li(2), one Li(3), two equivalent Li(1), one Mn(1), and one Co(2) atom to form OLi4MnCo octahedra that share corners with three equivalent O(2)Li3MnCo2 octahedra, corners with three equivalent O(3)Li4MnCo octahedra,  an edgeedge with one O(3)Li4MnCo octahedra, edges with three equivalent O(2)Li3MnCo2 octahedra, edges with four equivalent O(1)Li4Co2 octahedra, and edges with four equivalent O(4)Li4MnCo octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the fourth O site, O(4) is bonded to one Li(1), one Li(3), two equivalent Li(2), one Mn(1), and one Co(1) atom to form OLi4MnCo octahedra that share corners with three equivalent O(1)Li4Co2 octahedra, corners with three equivalent O(4)Li4MnCo octahedra,  an edgeedge with one O(4)Li4MnCo octahedra, edges with three equivalent O(1)Li4Co2 octahedra, edges with four equivalent O(2)Li3MnCo2 octahedra, and edges with four equivalent O(3)Li4MnCo octahedra. The corner-sharing octahedral tilt angles range from 0-8°. is represented by the CIF card [CIF]
data_Li5Mn(CoO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.134
_cell_length_b   5.738
_cell_length_c   5.850
_cell_angle_alpha   119.424
_cell_angle_beta   108.500
_cell_angle_gamma   89.726
_symmetry_Int_Tables_number   1
_cell_volume   139.931
_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  0.497  0.243  0.501  1.0
  Li  Li1  1  0.503  0.250  0.998  1.0
  Li  Li2  1  0.497  0.750  0.002  1.0
  Li  Li3  1  0.503  0.757  0.499  1.0
  Li  Li4  1  0.000  0.000  0.500  1.0
  Mn  Mn5  1  0.000  0.000  0.000  1.0
  Co  Co6  1  0.000  0.500  0.500  1.0
  Co  Co7  1  0.000  0.500  0.000  1.0
  O  O8  1  0.220  0.390  0.729  1.0
  O  O9  1  0.241  0.354  0.233  1.0
  O  O10  1  0.230  0.862  0.227  1.0
  O  O11  1  0.215  0.865  0.756  1.0
  O  O12  1  0.785  0.135  0.244  1.0
  O  O13  1  0.770  0.138  0.773  1.0
  O  O14  1  0.759  0.646  0.767  1.0
  O  O15  1  0.780  0.610  0.271  1.0
[/CIF]
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The material described by Li5Mn(CoO4)2 is Caswellsilverite-derived structured and crystallizes in the triclinic P-1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms to form LiO6 octahedra that share corners with three equivalent Mn(1)O6 octahedra, corners with three equivalent Co(2)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and edges with four equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-12°. In the second Li site, Li(2) is bonded to one O(2), one O(3), two equivalent O(1), and two equivalent O(4) atoms to form LiO6 octahedra that share corners with three equivalent Li(3)O6 octahedra, corners with three equivalent Co(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with four equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-12°. In the third Li site, Li(3) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) 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 Mn(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with four equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-12°. Mn(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) 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 Li(3)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with four equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-7°. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form CoO6 octahedra that share corners with six equivalent Li(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with four equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-10°. In the second Co site, Co(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form CoO6 octahedra that share corners with six equivalent Li(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and edges with four equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-12°. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(3), two equivalent Li(2), one Co(1), and one Co(2) atom to form OLi4Co2 octahedra that share corners with three equivalent O(1)Li4Co2 octahedra, corners with three equivalent O(4)Li4MnCo octahedra,  an edgeedge with one O(1)Li4Co2 octahedra, edges with three equivalent O(4)Li4MnCo octahedra, edges with four equivalent O(2)Li3MnCo2 octahedra, and edges with four equivalent O(3)Li4MnCo octahedra. The corner-sharing octahedral tilt angles range from 0-8°. In the second O site, O(2) is bonded to one Li(2), two equivalent Li(1), one Mn(1), one Co(1), and one Co(2) atom to form OLi3MnCo2 octahedra that share corners with three equivalent O(2)Li3MnCo2 octahedra, corners with three equivalent O(3)Li4MnCo octahedra,  an edgeedge with one O(2)Li3MnCo2 octahedra, edges with three equivalent O(3)Li4MnCo octahedra, edges with four equivalent O(1)Li4Co2 octahedra, and edges with four equivalent O(4)Li4MnCo octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the third O site, O(3) is bonded to one Li(2), one Li(3), two equivalent Li(1), one Mn(1), and one Co(2) atom to form OLi4MnCo octahedra that share corners with three equivalent O(2)Li3MnCo2 octahedra, corners with three equivalent O(3)Li4MnCo octahedra,  an edgeedge with one O(3)Li4MnCo octahedra, edges with three equivalent O(2)Li3MnCo2 octahedra, edges with four equivalent O(1)Li4Co2 octahedra, and edges with four equivalent O(4)Li4MnCo octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the fourth O site, O(4) is bonded to one Li(1), one Li(3), two equivalent Li(2), one Mn(1), and one Co(1) atom to form OLi4MnCo octahedra that share corners with three equivalent O(1)Li4Co2 octahedra, corners with three equivalent O(4)Li4MnCo octahedra,  an edgeedge with one O(4)Li4MnCo octahedra, edges with three equivalent O(1)Li4Co2 octahedra, edges with four equivalent O(2)Li3MnCo2 octahedra, and edges with four equivalent O(3)Li4MnCo octahedra. The corner-sharing octahedral tilt angles range from 0-8°. is represented by the CIF card [CIF]
data_Li5Mn(CoO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.134
_cell_length_b   5.738
_cell_length_c   5.850
_cell_angle_alpha   119.424
_cell_angle_beta   108.500
_cell_angle_gamma   89.726
_symmetry_Int_Tables_number   1
_cell_volume   139.931
_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  0.497  0.243  0.501  1.0
  Li  Li1  1  0.503  0.250  0.998  1.0
  Li  Li2  1  0.497  0.750  0.002  1.0
  Li  Li3  1  0.503  0.757  0.499  1.0
  Li  Li4  1  0.000  0.000  0.500  1.0
  Mn  Mn5  1  0.000  0.000  0.000  1.0
  Co  Co6  1  0.000  0.500  0.500  1.0
  Co  Co7  1  0.000  0.500  0.000  1.0
  O  O8  1  0.220  0.390  0.729  1.0
  O  O9  1  0.241  0.354  0.233  1.0
  O  O10  1  0.230  0.862  0.227  1.0
  O  O11  1  0.215  0.865  0.756  1.0
  O  O12  1  0.785  0.135  0.244  1.0
  O  O13  1  0.770  0.138  0.773  1.0
  O  O14  1  0.759  0.646  0.767  1.0
  O  O15  1  0.780  0.610  0.271  1.0
[/CIF]
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