The material structure described by CoCr2Se4 crystallizes in the triclinic P-1 space group. Cr(1) is bonded in a 3-coordinate geometry to one Co(1), one Se(1), and three equivalent Se(2) atoms. Co(1) is bonded in a square co-planar geometry to two equivalent Cr(1) and two equivalent Se(1) atoms. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a distorted bent 120 degrees geometry to one Cr(1), one Co(1), and one Se(2) atom. In the second Se site, Se(2) is bonded in a 5-coordinate geometry to three equivalent Cr(1), one Se(1), and one Se(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cr2CoSe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.943
_cell_length_b   5.100
_cell_length_c   6.444
_cell_angle_alpha   110.890
_cell_angle_beta   106.779
_cell_angle_gamma   98.911
_symmetry_Int_Tables_number   1
_cell_volume   139.157
_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
  Cr  Cr0  1  0.388  0.124  0.236  1.0
  Cr  Cr1  1  0.612  0.876  0.764  1.0
  Co  Co2  1  0.000  0.000  0.000  1.0
  Se  Se3  1  0.869  0.178  0.307  1.0
  Se  Se4  1  0.497  0.328  0.803  1.0
  Se  Se5  1  0.503  0.672  0.197  1.0
  Se  Se6  1  0.131  0.822  0.693  1.0
[/CIF]
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The material structure described by CoCr2Se4 crystallizes in the triclinic P-1 space group. Cr(1) is bonded in a 3-coordinate geometry to one Co(1), one Se(1), and three equivalent Se(2) atoms. Co(1) is bonded in a square co-planar geometry to two equivalent Cr(1) and two equivalent Se(1) atoms. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a distorted bent 120 degrees geometry to one Cr(1), one Co(1), and one Se(2) atom. In the second Se site, Se(2) is bonded in a 5-coordinate geometry to three equivalent Cr(1), one Se(1), and one Se(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cr2CoSe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.943
_cell_length_b   5.100
_cell_length_c   6.444
_cell_angle_alpha   110.890
_cell_angle_beta   106.779
_cell_angle_gamma   98.911
_symmetry_Int_Tables_number   1
_cell_volume   139.157
_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
  Cr  Cr0  1  0.388  0.124  0.236  1.0
  Cr  Cr1  1  0.612  0.876  0.764  1.0
  Co  Co2  1  0.000  0.000  0.000  1.0
  Se  Se3  1  0.869  0.178  0.307  1.0
  Se  Se4  1  0.497  0.328  0.803  1.0
  Se  Se5  1  0.503  0.672  0.197  1.0
  Se  Se6  1  0.131  0.822  0.693  1.0
[/CIF]
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