The crystal structure described by Lu2Mn2O7 crystallizes in the cubic Fd-3m space group. Lu(1) is bonded to two equivalent O(1) and six equivalent O(2) atoms to form distorted LuO8 hexagonal bipyramids that share edges with six equivalent Lu(1)O8 hexagonal bipyramids and edges with six equivalent Mn(1)O6 octahedra. Mn(1) is bonded to six equivalent O(2) atoms to form MnO6 octahedra that share corners with six equivalent Mn(1)O6 octahedra and edges with six equivalent Lu(1)O8 hexagonal bipyramids. The corner-sharing octahedral tilt angles are 49°. There are two inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Lu(1) atoms to form OLu4 tetrahedra that share corners with four equivalent O(1)Lu4 tetrahedra, corners with twelve equivalent O(2)Lu2Mn2 tetrahedra, and edges with six equivalent O(2)Lu2Mn2 tetrahedra. In the second O site, O(2) is bonded to two equivalent Lu(1) and two equivalent Mn(1) atoms to form distorted OLu2Mn2 tetrahedra that share corners with two equivalent O(1)Lu4 tetrahedra, corners with twelve equivalent O(2)Lu2Mn2 tetrahedra,  an edgeedge with one O(1)Lu4 tetrahedra, and edges with four equivalent O(2)Lu2Mn2 tetrahedra. is represented by the CIF card [CIF]
data_Lu2Mn2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.895
_cell_length_b   6.895
_cell_length_c   6.895
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   231.783
_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
  Lu  Lu0  1  0.125  0.125  0.125  1.0
  Lu  Lu1  1  0.625  0.125  0.125  1.0
  Lu  Lu2  1  0.125  0.125  0.625  1.0
  Lu  Lu3  1  0.125  0.625  0.125  1.0
  Mn  Mn4  1  0.625  0.625  0.625  1.0
  Mn  Mn5  1  0.125  0.625  0.625  1.0
  Mn  Mn6  1  0.625  0.625  0.125  1.0
  Mn  Mn7  1  0.625  0.125  0.625  1.0
  O  O8  1  0.000  0.000  0.000  1.0
  O  O9  1  0.250  0.250  0.250  1.0
  O  O10  1  0.294  0.294  0.706  1.0
  O  O11  1  0.544  0.544  0.956  1.0
  O  O12  1  0.706  0.294  0.706  1.0
  O  O13  1  0.706  0.294  0.294  1.0
  O  O14  1  0.294  0.706  0.706  1.0
  O  O15  1  0.294  0.706  0.294  1.0
  O  O16  1  0.706  0.706  0.294  1.0
  O  O17  1  0.956  0.544  0.544  1.0
  O  O18  1  0.544  0.956  0.956  1.0
  O  O19  1  0.956  0.956  0.544  1.0
  O  O20  1  0.956  0.544  0.956  1.0
  O  O21  1  0.544  0.956  0.544  1.0
[/CIF]
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The crystal structure described by Lu2Mn2O7 crystallizes in the cubic Fd-3m space group. Lu(1) is bonded to two equivalent O(1) and six equivalent O(2) atoms to form distorted LuO8 hexagonal bipyramids that share edges with six equivalent Lu(1)O8 hexagonal bipyramids and edges with six equivalent Mn(1)O6 octahedra. Mn(1) is bonded to six equivalent O(2) atoms to form MnO6 octahedra that share corners with six equivalent Mn(1)O6 octahedra and edges with six equivalent Lu(1)O8 hexagonal bipyramids. The corner-sharing octahedral tilt angles are 49°. There are two inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Lu(1) atoms to form OLu4 tetrahedra that share corners with four equivalent O(1)Lu4 tetrahedra, corners with twelve equivalent O(2)Lu2Mn2 tetrahedra, and edges with six equivalent O(2)Lu2Mn2 tetrahedra. In the second O site, O(2) is bonded to two equivalent Lu(1) and two equivalent Mn(1) atoms to form distorted OLu2Mn2 tetrahedra that share corners with two equivalent O(1)Lu4 tetrahedra, corners with twelve equivalent O(2)Lu2Mn2 tetrahedra,  an edgeedge with one O(1)Lu4 tetrahedra, and edges with four equivalent O(2)Lu2Mn2 tetrahedra. is represented by the CIF card [CIF]
data_Lu2Mn2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.895
_cell_length_b   6.895
_cell_length_c   6.895
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   231.783
_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
  Lu  Lu0  1  0.125  0.125  0.125  1.0
  Lu  Lu1  1  0.625  0.125  0.125  1.0
  Lu  Lu2  1  0.125  0.125  0.625  1.0
  Lu  Lu3  1  0.125  0.625  0.125  1.0
  Mn  Mn4  1  0.625  0.625  0.625  1.0
  Mn  Mn5  1  0.125  0.625  0.625  1.0
  Mn  Mn6  1  0.625  0.625  0.125  1.0
  Mn  Mn7  1  0.625  0.125  0.625  1.0
  O  O8  1  0.000  0.000  0.000  1.0
  O  O9  1  0.250  0.250  0.250  1.0
  O  O10  1  0.294  0.294  0.706  1.0
  O  O11  1  0.544  0.544  0.956  1.0
  O  O12  1  0.706  0.294  0.706  1.0
  O  O13  1  0.706  0.294  0.294  1.0
  O  O14  1  0.294  0.706  0.706  1.0
  O  O15  1  0.294  0.706  0.294  1.0
  O  O16  1  0.706  0.706  0.294  1.0
  O  O17  1  0.956  0.544  0.544  1.0
  O  O18  1  0.544  0.956  0.956  1.0
  O  O19  1  0.956  0.956  0.544  1.0
  O  O20  1  0.956  0.544  0.956  1.0
  O  O21  1  0.544  0.956  0.544  1.0
[/CIF]
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