The material described by Lu2V2O7 crystallizes in the cubic Fd-3m space group. Lu(1) is bonded in a 6-coordinate geometry to six equivalent O(1) atoms. V(1) is bonded in a body-centered cubic geometry to two equivalent O(2) and six equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Lu(1) and two equivalent V(1) atoms to form OLu2V2 tetrahedra that share corners with two equivalent O(2)V4 tetrahedra, corners with twelve equivalent O(1)Lu2V2 tetrahedra,  an edgeedge with one O(2)V4 tetrahedra, and edges with four equivalent O(1)Lu2V2 tetrahedra. In the second O site, O(2) is bonded to four equivalent V(1) atoms to form OV4 tetrahedra that share corners with four equivalent O(2)V4 tetrahedra, corners with twelve equivalent O(1)Lu2V2 tetrahedra, and edges with six equivalent O(1)Lu2V2 tetrahedra. is represented by the CIF card [CIF]
data_Lu2V2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.088
_cell_length_b   7.088
_cell_length_c   7.088
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   251.754
_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  0.625  0.125  0.625  1.0
  Lu  Lu1  1  0.625  0.625  0.625  1.0
  Lu  Lu2  1  0.125  0.625  0.625  1.0
  Lu  Lu3  1  0.625  0.625  0.125  1.0
  V  V4  1  0.125  0.625  0.125  1.0
  V  V5  1  0.625  0.125  0.125  1.0
  V  V6  1  0.125  0.125  0.625  1.0
  V  V7  1  0.125  0.125  0.125  1.0
  O  O8  1  0.247  0.753  0.247  1.0
  O  O9  1  0.003  0.497  0.003  1.0
  O  O10  1  0.247  0.753  0.753  1.0
  O  O11  1  0.003  0.497  0.497  1.0
  O  O12  1  0.753  0.247  0.753  1.0
  O  O13  1  0.753  0.247  0.247  1.0
  O  O14  1  0.003  0.003  0.497  1.0
  O  O15  1  0.250  0.250  0.250  1.0
  O  O16  1  0.753  0.753  0.247  1.0
  O  O17  1  0.497  0.497  0.003  1.0
  O  O18  1  0.497  0.003  0.003  1.0
  O  O19  1  0.000  0.000  0.000  1.0
  O  O20  1  0.247  0.247  0.753  1.0
  O  O21  1  0.497  0.003  0.497  1.0
[/CIF]
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The material described by Lu2V2O7 crystallizes in the cubic Fd-3m space group. Lu(1) is bonded in a 6-coordinate geometry to six equivalent O(1) atoms. V(1) is bonded in a body-centered cubic geometry to two equivalent O(2) and six equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Lu(1) and two equivalent V(1) atoms to form OLu2V2 tetrahedra that share corners with two equivalent O(2)V4 tetrahedra, corners with twelve equivalent O(1)Lu2V2 tetrahedra,  an edgeedge with one O(2)V4 tetrahedra, and edges with four equivalent O(1)Lu2V2 tetrahedra. In the second O site, O(2) is bonded to four equivalent V(1) atoms to form OV4 tetrahedra that share corners with four equivalent O(2)V4 tetrahedra, corners with twelve equivalent O(1)Lu2V2 tetrahedra, and edges with six equivalent O(1)Lu2V2 tetrahedra. is represented by the CIF card [CIF]
data_Lu2V2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.088
_cell_length_b   7.088
_cell_length_c   7.088
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   251.754
_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  0.625  0.125  0.625  1.0
  Lu  Lu1  1  0.625  0.625  0.625  1.0
  Lu  Lu2  1  0.125  0.625  0.625  1.0
  Lu  Lu3  1  0.625  0.625  0.125  1.0
  V  V4  1  0.125  0.625  0.125  1.0
  V  V5  1  0.625  0.125  0.125  1.0
  V  V6  1  0.125  0.125  0.625  1.0
  V  V7  1  0.125  0.125  0.125  1.0
  O  O8  1  0.247  0.753  0.247  1.0
  O  O9  1  0.003  0.497  0.003  1.0
  O  O10  1  0.247  0.753  0.753  1.0
  O  O11  1  0.003  0.497  0.497  1.0
  O  O12  1  0.753  0.247  0.753  1.0
  O  O13  1  0.753  0.247  0.247  1.0
  O  O14  1  0.003  0.003  0.497  1.0
  O  O15  1  0.250  0.250  0.250  1.0
  O  O16  1  0.753  0.753  0.247  1.0
  O  O17  1  0.497  0.497  0.003  1.0
  O  O18  1  0.497  0.003  0.003  1.0
  O  O19  1  0.000  0.000  0.000  1.0
  O  O20  1  0.247  0.247  0.753  1.0
  O  O21  1  0.497  0.003  0.497  1.0
[/CIF]
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