The compound described by RbVCu3Se4 crystallizes in the cubic P-43m space group. Rb(1) is bonded to four equivalent Se(1) atoms to form RbSe4 tetrahedra that share corners with four equivalent V(1)Se4 tetrahedra and corners with twelve equivalent Cu(1)Se4 tetrahedra. V(1) is bonded to four equivalent Se(1) atoms to form VSe4 tetrahedra that share corners with four equivalent Rb(1)Se4 tetrahedra and edges with six equivalent Cu(1)Se4 tetrahedra. Cu(1) is bonded to four equivalent Se(1) atoms to form distorted CuSe4 tetrahedra that share corners with four equivalent Rb(1)Se4 tetrahedra, corners with eight equivalent Cu(1)Se4 tetrahedra, and edges with two equivalent V(1)Se4 tetrahedra. Se(1) is bonded to one Rb(1), one V(1), and three equivalent Cu(1) atoms to form a mixture of distorted corner and edge-sharing SeRbVCu3 trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_RbVCu3Se4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.159
_cell_length_b   6.159
_cell_length_c   6.159
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   233.643
_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
  Rb  Rb0  1  0.500  0.500  0.500  1.0
  V  V1  1  0.000  0.000  0.000  1.0
  Cu  Cu2  1  0.000  0.500  0.000  1.0
  Cu  Cu3  1  0.000  0.000  0.500  1.0
  Cu  Cu4  1  0.500  0.000  0.000  1.0
  Se  Se5  1  0.218  0.218  0.218  1.0
  Se  Se6  1  0.782  0.782  0.218  1.0
  Se  Se7  1  0.218  0.782  0.782  1.0
  Se  Se8  1  0.782  0.218  0.782  1.0
[/CIF]
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The compound described by RbVCu3Se4 crystallizes in the cubic P-43m space group. Rb(1) is bonded to four equivalent Se(1) atoms to form RbSe4 tetrahedra that share corners with four equivalent V(1)Se4 tetrahedra and corners with twelve equivalent Cu(1)Se4 tetrahedra. V(1) is bonded to four equivalent Se(1) atoms to form VSe4 tetrahedra that share corners with four equivalent Rb(1)Se4 tetrahedra and edges with six equivalent Cu(1)Se4 tetrahedra. Cu(1) is bonded to four equivalent Se(1) atoms to form distorted CuSe4 tetrahedra that share corners with four equivalent Rb(1)Se4 tetrahedra, corners with eight equivalent Cu(1)Se4 tetrahedra, and edges with two equivalent V(1)Se4 tetrahedra. Se(1) is bonded to one Rb(1), one V(1), and three equivalent Cu(1) atoms to form a mixture of distorted corner and edge-sharing SeRbVCu3 trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_RbVCu3Se4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.159
_cell_length_b   6.159
_cell_length_c   6.159
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   233.643
_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
  Rb  Rb0  1  0.500  0.500  0.500  1.0
  V  V1  1  0.000  0.000  0.000  1.0
  Cu  Cu2  1  0.000  0.500  0.000  1.0
  Cu  Cu3  1  0.000  0.000  0.500  1.0
  Cu  Cu4  1  0.500  0.000  0.000  1.0
  Se  Se5  1  0.218  0.218  0.218  1.0
  Se  Se6  1  0.782  0.782  0.218  1.0
  Se  Se7  1  0.218  0.782  0.782  1.0
  Se  Se8  1  0.782  0.218  0.782  1.0
[/CIF]
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