The material described by RbCrSe2 is High Pressure (4-7GPa) Tellurium-derived structured and crystallizes in the trigonal R3m space group. Rb(1) is bonded in a 6-coordinate geometry to three equivalent Se(1) and three equivalent Se(2) atoms. Cr(1) is bonded to three equivalent Se(1) and three equivalent Se(2) atoms to form edge-sharing CrSe6 octahedra. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a 6-coordinate geometry to three equivalent Rb(1) and three equivalent Cr(1) atoms. In the second Se site, Se(2) is bonded to three equivalent Rb(1) and three equivalent Cr(1) atoms to form distorted edge-sharing SeRb3Cr3 octahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_RbCrSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.855
_cell_length_b   3.855
_cell_length_c   8.057
_cell_angle_alpha   76.173
_cell_angle_beta   76.173
_cell_angle_gamma   60.002
_symmetry_Int_Tables_number   1
_cell_volume   99.651
_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  0.834  0.834  0.498  1.0
  Cr  Cr1  1  0.002  0.002  0.993  1.0
  Se  Se2  1  0.611  0.611  0.166  1.0
  Se  Se3  1  0.393  0.393  0.823  1.0
[/CIF]
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The material described by RbCrSe2 is High Pressure (4-7GPa) Tellurium-derived structured and crystallizes in the trigonal R3m space group. Rb(1) is bonded in a 6-coordinate geometry to three equivalent Se(1) and three equivalent Se(2) atoms. Cr(1) is bonded to three equivalent Se(1) and three equivalent Se(2) atoms to form edge-sharing CrSe6 octahedra. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a 6-coordinate geometry to three equivalent Rb(1) and three equivalent Cr(1) atoms. In the second Se site, Se(2) is bonded to three equivalent Rb(1) and three equivalent Cr(1) atoms to form distorted edge-sharing SeRb3Cr3 octahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_RbCrSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.855
_cell_length_b   3.855
_cell_length_c   8.057
_cell_angle_alpha   76.173
_cell_angle_beta   76.173
_cell_angle_gamma   60.002
_symmetry_Int_Tables_number   1
_cell_volume   99.651
_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  0.834  0.834  0.498  1.0
  Cr  Cr1  1  0.002  0.002  0.993  1.0
  Se  Se2  1  0.611  0.611  0.166  1.0
  Se  Se3  1  0.393  0.393  0.823  1.0
[/CIF]
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