The material described by LiMn2Cu(RuO4)2 is Spinel-derived structured and crystallizes in the orthorhombic Imm2 space group. Li(1) is bonded to two equivalent O(3) and two equivalent O(4) atoms to form LiO4 tetrahedra that share corners with six equivalent Mn(1)O6 octahedra and corners with six equivalent Ru(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-64°. Mn(1) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms to form MnO6 octahedra that share corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Cu(1)O4 tetrahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with four equivalent Ru(1)O6 octahedra. Ru(1) is bonded to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms to form RuO6 octahedra that share corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Cu(1)O4 tetrahedra, edges with two equivalent Ru(1)O6 octahedra, and edges with four equivalent Mn(1)O6 octahedra. Cu(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form CuO4 tetrahedra that share corners with six equivalent Mn(1)O6 octahedra and corners with six equivalent Ru(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-63°. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Mn(1), two equivalent Ru(1), and one Cu(1) atom to form distorted OMnCuRu2 trigonal pyramids that share corners with two equivalent O(2)Mn2CuRu tetrahedra, corners with four equivalent O(4)LiMn2Ru tetrahedra,  a cornercorner with one O(1)MnCuRu2 trigonal pyramid, edges with two equivalent O(2)Mn2CuRu tetrahedra, and  an edgeedge with one O(1)MnCuRu2 trigonal pyramid. In the second O site, O(2) is bonded to two equivalent Mn(1), one Ru(1), and one Cu(1) atom to form distorted OMn2CuRu tetrahedra that share  a cornercorner with one O(2)Mn2CuRu tetrahedra, corners with five equivalent O(4)LiMn2Ru tetrahedra, corners with two equivalent O(1)MnCuRu2 trigonal pyramids,  an edgeedge with one O(2)Mn2CuRu tetrahedra, and edges with two equivalent O(1)MnCuRu2 trigonal pyramids. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(1), one Mn(1), and two equivalent Ru(1) atoms. In the fourth O site, O(4) is bonded to one Li(1), two equivalent Mn(1), and one Ru(1) atom to form distorted OLiMn2Ru tetrahedra that share  a cornercorner with one O(4)LiMn2Ru tetrahedra, corners with five equivalent O(2)Mn2CuRu tetrahedra, corners with four equivalent O(1)MnCuRu2 trigonal pyramids, and  an edgeedge with one O(4)LiMn2Ru tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiMn2Cu(RuO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.118
_cell_length_b   6.022
_cell_length_c   5.695
_cell_angle_alpha   90.000
_cell_angle_beta   62.263
_cell_angle_gamma   119.480
_symmetry_Int_Tables_number   1
_cell_volume   154.372
_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  0.279  0.140  0.110  1.0
  Mn  Mn1  1  0.491  0.994  0.505  1.0
  Mn  Mn2  1  0.491  0.497  0.505  1.0
  Cu  Cu3  1  0.756  0.878  0.872  1.0
  Ru  Ru4  1  0.999  0.499  0.027  1.0
  Ru  Ru5  1  0.999  0.499  0.474  1.0
  O  O6  1  0.998  0.281  0.751  1.0
  O  O7  1  0.998  0.716  0.751  1.0
  O  O8  1  0.459  0.729  0.284  1.0
  O  O9  1  0.459  0.729  0.757  1.0
  O  O10  1  0.993  0.750  0.254  1.0
  O  O11  1  0.993  0.243  0.254  1.0
  O  O12  1  0.544  0.272  0.701  1.0
  O  O13  1  0.544  0.272  0.255  1.0
[/CIF]
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The material described by LiMn2Cu(RuO4)2 is Spinel-derived structured and crystallizes in the orthorhombic Imm2 space group. Li(1) is bonded to two equivalent O(3) and two equivalent O(4) atoms to form LiO4 tetrahedra that share corners with six equivalent Mn(1)O6 octahedra and corners with six equivalent Ru(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-64°. Mn(1) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms to form MnO6 octahedra that share corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Cu(1)O4 tetrahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with four equivalent Ru(1)O6 octahedra. Ru(1) is bonded to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms to form RuO6 octahedra that share corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Cu(1)O4 tetrahedra, edges with two equivalent Ru(1)O6 octahedra, and edges with four equivalent Mn(1)O6 octahedra. Cu(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form CuO4 tetrahedra that share corners with six equivalent Mn(1)O6 octahedra and corners with six equivalent Ru(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-63°. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Mn(1), two equivalent Ru(1), and one Cu(1) atom to form distorted OMnCuRu2 trigonal pyramids that share corners with two equivalent O(2)Mn2CuRu tetrahedra, corners with four equivalent O(4)LiMn2Ru tetrahedra,  a cornercorner with one O(1)MnCuRu2 trigonal pyramid, edges with two equivalent O(2)Mn2CuRu tetrahedra, and  an edgeedge with one O(1)MnCuRu2 trigonal pyramid. In the second O site, O(2) is bonded to two equivalent Mn(1), one Ru(1), and one Cu(1) atom to form distorted OMn2CuRu tetrahedra that share  a cornercorner with one O(2)Mn2CuRu tetrahedra, corners with five equivalent O(4)LiMn2Ru tetrahedra, corners with two equivalent O(1)MnCuRu2 trigonal pyramids,  an edgeedge with one O(2)Mn2CuRu tetrahedra, and edges with two equivalent O(1)MnCuRu2 trigonal pyramids. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(1), one Mn(1), and two equivalent Ru(1) atoms. In the fourth O site, O(4) is bonded to one Li(1), two equivalent Mn(1), and one Ru(1) atom to form distorted OLiMn2Ru tetrahedra that share  a cornercorner with one O(4)LiMn2Ru tetrahedra, corners with five equivalent O(2)Mn2CuRu tetrahedra, corners with four equivalent O(1)MnCuRu2 trigonal pyramids, and  an edgeedge with one O(4)LiMn2Ru tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiMn2Cu(RuO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.118
_cell_length_b   6.022
_cell_length_c   5.695
_cell_angle_alpha   90.000
_cell_angle_beta   62.263
_cell_angle_gamma   119.480
_symmetry_Int_Tables_number   1
_cell_volume   154.372
_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  0.279  0.140  0.110  1.0
  Mn  Mn1  1  0.491  0.994  0.505  1.0
  Mn  Mn2  1  0.491  0.497  0.505  1.0
  Cu  Cu3  1  0.756  0.878  0.872  1.0
  Ru  Ru4  1  0.999  0.499  0.027  1.0
  Ru  Ru5  1  0.999  0.499  0.474  1.0
  O  O6  1  0.998  0.281  0.751  1.0
  O  O7  1  0.998  0.716  0.751  1.0
  O  O8  1  0.459  0.729  0.284  1.0
  O  O9  1  0.459  0.729  0.757  1.0
  O  O10  1  0.993  0.750  0.254  1.0
  O  O11  1  0.993  0.243  0.254  1.0
  O  O12  1  0.544  0.272  0.701  1.0
  O  O13  1  0.544  0.272  0.255  1.0
[/CIF]
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