The compound described by Sc3Co is Cementite-like structured and crystallizes in the orthorhombic Pnma space group. There are four inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a distorted bent 150 degrees geometry to one Co(1) and one Co(2) atom. In the second Sc site, Sc(2) is bonded in a distorted L-shaped geometry to one Co(1) and one Co(2) atom. In the third Sc site, Sc(3) is bonded in a 3-coordinate geometry to one Co(1) and two equivalent Co(2) atoms. In the fourth Sc site, Sc(4) is bonded in a 3-coordinate geometry to one Co(2) and two equivalent Co(1) atoms. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a 8-coordinate geometry to one Sc(1), one Sc(2), two equivalent Sc(3), and four equivalent Sc(4) atoms. In the second Co site, Co(2) is bonded in a 8-coordinate geometry to one Sc(1), one Sc(2), two equivalent Sc(4), and four equivalent Sc(3) atoms. is represented by the CIF card [CIF]
data_Sc3Co
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.844
_cell_length_b   8.559
_cell_length_c   12.989
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   649.748
_cell_formula_units_Z   8
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
  Sc  Sc0  1  0.550  0.750  0.646  1.0
  Sc  Sc1  1  0.050  0.250  0.854  1.0
  Sc  Sc2  1  0.450  0.250  0.354  1.0
  Sc  Sc3  1  0.950  0.750  0.146  1.0
  Sc  Sc4  1  0.789  0.750  0.893  1.0
  Sc  Sc5  1  0.289  0.250  0.607  1.0
  Sc  Sc6  1  0.211  0.250  0.107  1.0
  Sc  Sc7  1  0.711  0.750  0.393  1.0
  Sc  Sc8  1  0.403  0.932  0.212  1.0
  Sc  Sc9  1  0.903  0.068  0.288  1.0
  Sc  Sc10  1  0.597  0.432  0.788  1.0
  Sc  Sc11  1  0.097  0.568  0.712  1.0
  Sc  Sc12  1  0.597  0.068  0.788  1.0
  Sc  Sc13  1  0.097  0.932  0.712  1.0
  Sc  Sc14  1  0.403  0.568  0.212  1.0
  Sc  Sc15  1  0.903  0.432  0.288  1.0
  Sc  Sc16  1  0.244  0.935  0.464  1.0
  Sc  Sc17  1  0.744  0.065  0.036  1.0
  Sc  Sc18  1  0.756  0.435  0.536  1.0
  Sc  Sc19  1  0.256  0.565  0.964  1.0
  Sc  Sc20  1  0.756  0.065  0.536  1.0
  Sc  Sc21  1  0.256  0.935  0.964  1.0
  Sc  Sc22  1  0.244  0.565  0.464  1.0
  Sc  Sc23  1  0.744  0.435  0.036  1.0
  Co  Co24  1  0.948  0.750  0.560  1.0
  Co  Co25  1  0.448  0.250  0.940  1.0
  Co  Co26  1  0.052  0.250  0.440  1.0
  Co  Co27  1  0.552  0.750  0.060  1.0
  Co  Co28  1  0.381  0.750  0.819  1.0
  Co  Co29  1  0.881  0.250  0.681  1.0
  Co  Co30  1  0.619  0.250  0.181  1.0
  Co  Co31  1  0.119  0.750  0.319  1.0
[/CIF]
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The compound described by Sc3Co is Cementite-like structured and crystallizes in the orthorhombic Pnma space group. There are four inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a distorted bent 150 degrees geometry to one Co(1) and one Co(2) atom. In the second Sc site, Sc(2) is bonded in a distorted L-shaped geometry to one Co(1) and one Co(2) atom. In the third Sc site, Sc(3) is bonded in a 3-coordinate geometry to one Co(1) and two equivalent Co(2) atoms. In the fourth Sc site, Sc(4) is bonded in a 3-coordinate geometry to one Co(2) and two equivalent Co(1) atoms. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a 8-coordinate geometry to one Sc(1), one Sc(2), two equivalent Sc(3), and four equivalent Sc(4) atoms. In the second Co site, Co(2) is bonded in a 8-coordinate geometry to one Sc(1), one Sc(2), two equivalent Sc(4), and four equivalent Sc(3) atoms. is represented by the CIF card [CIF]
data_Sc3Co
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.844
_cell_length_b   8.559
_cell_length_c   12.989
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   649.748
_cell_formula_units_Z   8
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
  Sc  Sc0  1  0.550  0.750  0.646  1.0
  Sc  Sc1  1  0.050  0.250  0.854  1.0
  Sc  Sc2  1  0.450  0.250  0.354  1.0
  Sc  Sc3  1  0.950  0.750  0.146  1.0
  Sc  Sc4  1  0.789  0.750  0.893  1.0
  Sc  Sc5  1  0.289  0.250  0.607  1.0
  Sc  Sc6  1  0.211  0.250  0.107  1.0
  Sc  Sc7  1  0.711  0.750  0.393  1.0
  Sc  Sc8  1  0.403  0.932  0.212  1.0
  Sc  Sc9  1  0.903  0.068  0.288  1.0
  Sc  Sc10  1  0.597  0.432  0.788  1.0
  Sc  Sc11  1  0.097  0.568  0.712  1.0
  Sc  Sc12  1  0.597  0.068  0.788  1.0
  Sc  Sc13  1  0.097  0.932  0.712  1.0
  Sc  Sc14  1  0.403  0.568  0.212  1.0
  Sc  Sc15  1  0.903  0.432  0.288  1.0
  Sc  Sc16  1  0.244  0.935  0.464  1.0
  Sc  Sc17  1  0.744  0.065  0.036  1.0
  Sc  Sc18  1  0.756  0.435  0.536  1.0
  Sc  Sc19  1  0.256  0.565  0.964  1.0
  Sc  Sc20  1  0.756  0.065  0.536  1.0
  Sc  Sc21  1  0.256  0.935  0.964  1.0
  Sc  Sc22  1  0.244  0.565  0.464  1.0
  Sc  Sc23  1  0.744  0.435  0.036  1.0
  Co  Co24  1  0.948  0.750  0.560  1.0
  Co  Co25  1  0.448  0.250  0.940  1.0
  Co  Co26  1  0.052  0.250  0.440  1.0
  Co  Co27  1  0.552  0.750  0.060  1.0
  Co  Co28  1  0.381  0.750  0.819  1.0
  Co  Co29  1  0.881  0.250  0.681  1.0
  Co  Co30  1  0.619  0.250  0.181  1.0
  Co  Co31  1  0.119  0.750  0.319  1.0
[/CIF]
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