The compound described by Rb4MgV2(CuS4)2 crystallizes in the triclinic P1 space group. There are four inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 7-coordinate geometry to one S(3), one S(5), one S(8), two equivalent S(1), and two equivalent S(4) atoms. In the second Rb site, Rb(2) is bonded in a 6-coordinate geometry to one S(1), one S(3), one S(4), one S(6), and two equivalent S(2) atoms. In the third Rb site, Rb(3) is bonded in a 5-coordinate geometry to one S(5), one S(7), one S(8), and two equivalent S(6) atoms. In the fourth Rb site, Rb(4) is bonded in a 8-coordinate geometry to one S(1), one S(4), one S(6), one S(7), two equivalent S(5), and two equivalent S(8) atoms. Mg(1) is bonded in a 3-coordinate geometry to one S(2), one S(3), and one S(7) atom. There are two inequivalent V sites. In the first V site, V(1) is bonded to one S(5), one S(6), one S(7), and one S(8) atom to form VS4 tetrahedra that share edges with two equivalent Cu(2)S4 tetrahedra. In the second V site, V(2) is bonded in a tetrahedral geometry to one S(1), one S(2), one S(3), and one S(4) atom. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 4-coordinate geometry to one S(1), one S(2), one S(3), and one S(4) atom. In the second Cu site, Cu(2) is bonded to one S(5), one S(6), one S(7), and one S(8) atom to form distorted CuS4 tetrahedra that share edges with two equivalent V(1)S4 tetrahedra. There are eight inequivalent S sites. In the first S site, S(1) is bonded in a 6-coordinate geometry to one Rb(2), one Rb(4), two equivalent Rb(1), one V(2), and one Cu(1) atom. In the second S site, S(2) is bonded in a 3-coordinate geometry to two equivalent Rb(2), one Mg(1), one V(2), and one Cu(1) atom. In the third S site, S(3) is bonded in a 4-coordinate geometry to one Rb(1), one Rb(2), one Mg(1), one V(2), and one Cu(1) atom. In the fourth S site, S(4) is bonded in a 6-coordinate geometry to one Rb(2), one Rb(4), two equivalent Rb(1), one V(2), and one Cu(1) atom. In the fifth S site, S(5) is bonded in a 6-coordinate geometry to one Rb(1), one Rb(3), two equivalent Rb(4), one V(1), and one Cu(2) atom. In the sixth S site, S(6) is bonded in a 6-coordinate geometry to one Rb(2), one Rb(4), two equivalent Rb(3), one V(1), and one Cu(2) atom. In the seventh S site, S(7) is bonded in a 3-coordinate geometry to one Rb(3), one Rb(4), one Mg(1), one V(1), and one Cu(2) atom. In the eighth S site, S(8) is bonded in a 6-coordinate geometry to one Rb(1), one Rb(3), two equivalent Rb(4), one V(1), and one Cu(2) atom. is represented by the CIF card [CIF]
data_Rb4MgV2(CuS4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.615
_cell_length_b   7.537
_cell_length_c   12.486
_cell_angle_alpha   87.404
_cell_angle_beta   76.253
_cell_angle_gamma   66.756
_symmetry_Int_Tables_number   1
_cell_volume   470.910
_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  0.037  0.247  0.906  1.0
  Rb  Rb1  1  0.687  0.195  0.620  1.0
  Rb  Rb2  1  0.291  0.788  0.355  1.0
  Rb  Rb3  1  0.938  0.758  0.097  1.0
  Mg  Mg4  1  0.750  0.653  0.530  1.0
  V  V5  1  0.836  0.265  0.255  1.0
  V  V6  1  0.139  0.729  0.751  1.0
  Cu  Cu7  1  0.635  0.729  0.762  1.0
  Cu  Cu8  1  0.346  0.259  0.258  1.0
  S  S9  1  0.411  0.548  0.852  1.0
  S  S10  1  0.350  0.898  0.635  1.0
  S  S11  1  0.063  0.529  0.643  1.0
  S  S12  1  0.750  0.929  0.852  1.0
  S  S13  1  0.227  0.082  0.150  1.0
  S  S14  1  0.657  0.076  0.356  1.0
  S  S15  1  0.914  0.468  0.360  1.0
  S  S16  1  0.564  0.439  0.155  1.0
[/CIF]
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The compound described by Rb4MgV2(CuS4)2 crystallizes in the triclinic P1 space group. There are four inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 7-coordinate geometry to one S(3), one S(5), one S(8), two equivalent S(1), and two equivalent S(4) atoms. In the second Rb site, Rb(2) is bonded in a 6-coordinate geometry to one S(1), one S(3), one S(4), one S(6), and two equivalent S(2) atoms. In the third Rb site, Rb(3) is bonded in a 5-coordinate geometry to one S(5), one S(7), one S(8), and two equivalent S(6) atoms. In the fourth Rb site, Rb(4) is bonded in a 8-coordinate geometry to one S(1), one S(4), one S(6), one S(7), two equivalent S(5), and two equivalent S(8) atoms. Mg(1) is bonded in a 3-coordinate geometry to one S(2), one S(3), and one S(7) atom. There are two inequivalent V sites. In the first V site, V(1) is bonded to one S(5), one S(6), one S(7), and one S(8) atom to form VS4 tetrahedra that share edges with two equivalent Cu(2)S4 tetrahedra. In the second V site, V(2) is bonded in a tetrahedral geometry to one S(1), one S(2), one S(3), and one S(4) atom. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 4-coordinate geometry to one S(1), one S(2), one S(3), and one S(4) atom. In the second Cu site, Cu(2) is bonded to one S(5), one S(6), one S(7), and one S(8) atom to form distorted CuS4 tetrahedra that share edges with two equivalent V(1)S4 tetrahedra. There are eight inequivalent S sites. In the first S site, S(1) is bonded in a 6-coordinate geometry to one Rb(2), one Rb(4), two equivalent Rb(1), one V(2), and one Cu(1) atom. In the second S site, S(2) is bonded in a 3-coordinate geometry to two equivalent Rb(2), one Mg(1), one V(2), and one Cu(1) atom. In the third S site, S(3) is bonded in a 4-coordinate geometry to one Rb(1), one Rb(2), one Mg(1), one V(2), and one Cu(1) atom. In the fourth S site, S(4) is bonded in a 6-coordinate geometry to one Rb(2), one Rb(4), two equivalent Rb(1), one V(2), and one Cu(1) atom. In the fifth S site, S(5) is bonded in a 6-coordinate geometry to one Rb(1), one Rb(3), two equivalent Rb(4), one V(1), and one Cu(2) atom. In the sixth S site, S(6) is bonded in a 6-coordinate geometry to one Rb(2), one Rb(4), two equivalent Rb(3), one V(1), and one Cu(2) atom. In the seventh S site, S(7) is bonded in a 3-coordinate geometry to one Rb(3), one Rb(4), one Mg(1), one V(1), and one Cu(2) atom. In the eighth S site, S(8) is bonded in a 6-coordinate geometry to one Rb(1), one Rb(3), two equivalent Rb(4), one V(1), and one Cu(2) atom. is represented by the CIF card [CIF]
data_Rb4MgV2(CuS4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.615
_cell_length_b   7.537
_cell_length_c   12.486
_cell_angle_alpha   87.404
_cell_angle_beta   76.253
_cell_angle_gamma   66.756
_symmetry_Int_Tables_number   1
_cell_volume   470.910
_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  0.037  0.247  0.906  1.0
  Rb  Rb1  1  0.687  0.195  0.620  1.0
  Rb  Rb2  1  0.291  0.788  0.355  1.0
  Rb  Rb3  1  0.938  0.758  0.097  1.0
  Mg  Mg4  1  0.750  0.653  0.530  1.0
  V  V5  1  0.836  0.265  0.255  1.0
  V  V6  1  0.139  0.729  0.751  1.0
  Cu  Cu7  1  0.635  0.729  0.762  1.0
  Cu  Cu8  1  0.346  0.259  0.258  1.0
  S  S9  1  0.411  0.548  0.852  1.0
  S  S10  1  0.350  0.898  0.635  1.0
  S  S11  1  0.063  0.529  0.643  1.0
  S  S12  1  0.750  0.929  0.852  1.0
  S  S13  1  0.227  0.082  0.150  1.0
  S  S14  1  0.657  0.076  0.356  1.0
  S  S15  1  0.914  0.468  0.360  1.0
  S  S16  1  0.564  0.439  0.155  1.0
[/CIF]
.