The material described by Rb2VAgSe4 crystallizes in the triclinic P1 space group. There are four inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 8-coordinate geometry to one Se(2), one Se(4), one Se(5), one Se(8), two equivalent Se(3), and two equivalent Se(7) atoms. In the second Rb site, Rb(2) is bonded in a 8-coordinate geometry to one Se(1), one Se(3), one Se(6), one Se(7), two equivalent Se(4), and two equivalent Se(8) atoms. In the third Rb site, Rb(3) is bonded in a 8-coordinate geometry to one Se(2), one Se(4), one Se(5), one Se(8), two equivalent Se(1), and two equivalent Se(6) atoms. In the fourth Rb site, Rb(4) is bonded in a 8-coordinate geometry to one Se(1), one Se(3), one Se(6), one Se(7), two equivalent Se(2), and two equivalent Se(5) atoms. There are two inequivalent V sites. In the first V site, V(1) is bonded in a tetrahedral geometry to one Se(3), one Se(4), one Se(7), and one Se(8) atom. In the second V site, V(2) is bonded in a tetrahedral geometry to one Se(1), one Se(2), one Se(5), and one Se(6) atom. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a 4-coordinate geometry to one Se(3), one Se(4), one Se(7), and one Se(8) atom. In the second Ag site, Ag(2) is bonded in a 4-coordinate geometry to one Se(1), one Se(2), one Se(5), and one Se(6) atom. There are eight inequivalent Se sites. In the first Se site, Se(1) is bonded in a 6-coordinate geometry to one Rb(2), one Rb(4), two equivalent Rb(3), one V(2), and one Ag(2) atom. In the second Se site, Se(2) is bonded in a 6-coordinate geometry to one Rb(1), one Rb(3), two equivalent Rb(4), one V(2), and one Ag(2) atom. In the third Se site, Se(3) is bonded in a 6-coordinate geometry to one Rb(2), one Rb(4), two equivalent Rb(1), one V(1), and one Ag(1) atom. In the fourth Se site, Se(4) is bonded in a 6-coordinate geometry to one Rb(1), one Rb(3), two equivalent Rb(2), one V(1), and one Ag(1) atom. In the fifth Se site, Se(5) is bonded in a 6-coordinate geometry to one Rb(1), one Rb(3), two equivalent Rb(4), one V(2), and one Ag(2) atom. In the sixth Se site, Se(6) is bonded in a 6-coordinate geometry to one Rb(2), one Rb(4), two equivalent Rb(3), one V(2), and one Ag(2) atom. In the seventh Se site, Se(7) is bonded in a 6-coordinate geometry to one Rb(2), one Rb(4), two equivalent Rb(1), one V(1), and one Ag(1) atom. In the eighth Se site, Se(8) is bonded in a 6-coordinate geometry to one Rb(1), one Rb(3), two equivalent Rb(2), one V(1), and one Ag(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Rb2VAgSe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.163
_cell_length_b   12.636
_cell_length_c   7.696
_cell_angle_alpha   84.598
_cell_angle_beta   62.654
_cell_angle_gamma   32.748
_symmetry_Int_Tables_number   1
_cell_volume   525.340
_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
  Rb  Rb0  1  0.176  0.183  0.827  1.0
  Rb  Rb1  1  0.823  0.816  0.172  1.0
  Rb  Rb2  1  0.439  0.423  0.066  1.0
  Rb  Rb3  1  0.076  0.062  0.422  1.0
  V  V4  1  0.257  0.246  0.242  1.0
  V  V5  1  0.999  0.003  0.006  1.0
  Ag  Ag6  1  0.753  0.750  0.744  1.0
  Ag  Ag7  1  0.508  0.493  0.491  1.0
  Se  Se8  1  0.841  0.045  0.360  1.0
  Se  Se9  1  0.742  0.369  0.059  1.0
  Se  Se10  1  0.894  0.498  0.410  1.0
  Se  Se11  1  0.205  0.409  0.494  1.0
  Se  Se12  1  0.357  0.755  0.832  1.0
  Se  Se13  1  0.049  0.836  0.749  1.0
  Se  Se14  1  0.493  0.892  0.198  1.0
  Se  Se15  1  0.411  0.204  0.889  1.0
[/CIF]
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The material described by Rb2VAgSe4 crystallizes in the triclinic P1 space group. There are four inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 8-coordinate geometry to one Se(2), one Se(4), one Se(5), one Se(8), two equivalent Se(3), and two equivalent Se(7) atoms. In the second Rb site, Rb(2) is bonded in a 8-coordinate geometry to one Se(1), one Se(3), one Se(6), one Se(7), two equivalent Se(4), and two equivalent Se(8) atoms. In the third Rb site, Rb(3) is bonded in a 8-coordinate geometry to one Se(2), one Se(4), one Se(5), one Se(8), two equivalent Se(1), and two equivalent Se(6) atoms. In the fourth Rb site, Rb(4) is bonded in a 8-coordinate geometry to one Se(1), one Se(3), one Se(6), one Se(7), two equivalent Se(2), and two equivalent Se(5) atoms. There are two inequivalent V sites. In the first V site, V(1) is bonded in a tetrahedral geometry to one Se(3), one Se(4), one Se(7), and one Se(8) atom. In the second V site, V(2) is bonded in a tetrahedral geometry to one Se(1), one Se(2), one Se(5), and one Se(6) atom. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a 4-coordinate geometry to one Se(3), one Se(4), one Se(7), and one Se(8) atom. In the second Ag site, Ag(2) is bonded in a 4-coordinate geometry to one Se(1), one Se(2), one Se(5), and one Se(6) atom. There are eight inequivalent Se sites. In the first Se site, Se(1) is bonded in a 6-coordinate geometry to one Rb(2), one Rb(4), two equivalent Rb(3), one V(2), and one Ag(2) atom. In the second Se site, Se(2) is bonded in a 6-coordinate geometry to one Rb(1), one Rb(3), two equivalent Rb(4), one V(2), and one Ag(2) atom. In the third Se site, Se(3) is bonded in a 6-coordinate geometry to one Rb(2), one Rb(4), two equivalent Rb(1), one V(1), and one Ag(1) atom. In the fourth Se site, Se(4) is bonded in a 6-coordinate geometry to one Rb(1), one Rb(3), two equivalent Rb(2), one V(1), and one Ag(1) atom. In the fifth Se site, Se(5) is bonded in a 6-coordinate geometry to one Rb(1), one Rb(3), two equivalent Rb(4), one V(2), and one Ag(2) atom. In the sixth Se site, Se(6) is bonded in a 6-coordinate geometry to one Rb(2), one Rb(4), two equivalent Rb(3), one V(2), and one Ag(2) atom. In the seventh Se site, Se(7) is bonded in a 6-coordinate geometry to one Rb(2), one Rb(4), two equivalent Rb(1), one V(1), and one Ag(1) atom. In the eighth Se site, Se(8) is bonded in a 6-coordinate geometry to one Rb(1), one Rb(3), two equivalent Rb(2), one V(1), and one Ag(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Rb2VAgSe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.163
_cell_length_b   12.636
_cell_length_c   7.696
_cell_angle_alpha   84.598
_cell_angle_beta   62.654
_cell_angle_gamma   32.748
_symmetry_Int_Tables_number   1
_cell_volume   525.340
_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
  Rb  Rb0  1  0.176  0.183  0.827  1.0
  Rb  Rb1  1  0.823  0.816  0.172  1.0
  Rb  Rb2  1  0.439  0.423  0.066  1.0
  Rb  Rb3  1  0.076  0.062  0.422  1.0
  V  V4  1  0.257  0.246  0.242  1.0
  V  V5  1  0.999  0.003  0.006  1.0
  Ag  Ag6  1  0.753  0.750  0.744  1.0
  Ag  Ag7  1  0.508  0.493  0.491  1.0
  Se  Se8  1  0.841  0.045  0.360  1.0
  Se  Se9  1  0.742  0.369  0.059  1.0
  Se  Se10  1  0.894  0.498  0.410  1.0
  Se  Se11  1  0.205  0.409  0.494  1.0
  Se  Se12  1  0.357  0.755  0.832  1.0
  Se  Se13  1  0.049  0.836  0.749  1.0
  Se  Se14  1  0.493  0.892  0.198  1.0
  Se  Se15  1  0.411  0.204  0.889  1.0
[/CIF]
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