The compound described by LuSc3(MnSi)4 crystallizes in the monoclinic Pm space group. Lu(1) is bonded in a 5-coordinate geometry to one Si(1), two equivalent Si(3), and two equivalent Si(4) atoms. There are three inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a 5-coordinate geometry to one Si(2), two equivalent Si(3), and two equivalent Si(4) atoms. In the second Sc site, Sc(2) is bonded in a 5-coordinate geometry to one Si(3), two equivalent Si(1), and two equivalent Si(2) atoms. In the third Sc site, Sc(3) is bonded in a 5-coordinate geometry to one Si(4), two equivalent Si(1), and two equivalent Si(2) atoms. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one Si(1), one Si(2), and two equivalent Si(4) atoms to form distorted corner-sharing MnSi4 tetrahedra. In the second Mn site, Mn(2) is bonded to one Si(1), one Si(2), and two equivalent Si(3) atoms to form distorted corner-sharing MnSi4 tetrahedra. In the third Mn site, Mn(3) is bonded in a 4-coordinate geometry to one Si(3), one Si(4), and two equivalent Si(2) atoms. In the fourth Mn site, Mn(4) is bonded in a 4-coordinate geometry to one Si(3), one Si(4), and two equivalent Si(1) atoms. There are four inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to one Lu(1), two equivalent Sc(2), two equivalent Sc(3), one Mn(1), one Mn(2), and two equivalent Mn(4) atoms. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to one Sc(1), two equivalent Sc(2), two equivalent Sc(3), one Mn(1), one Mn(2), and two equivalent Mn(3) atoms. In the third Si site, Si(3) is bonded in a 9-coordinate geometry to two equivalent Lu(1), one Sc(2), two equivalent Sc(1), one Mn(3), one Mn(4), and two equivalent Mn(2) atoms. In the fourth Si site, Si(4) is bonded in a 9-coordinate geometry to two equivalent Lu(1), one Sc(3), two equivalent Sc(1), one Mn(3), one Mn(4), and two equivalent Mn(1) atoms. is represented by the CIF card [CIF]
data_LuSc3(MnSi)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.910
_cell_length_b   6.613
_cell_length_c   7.455
_cell_angle_alpha   89.307
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   192.786
_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
  Lu  Lu0  1  0.000  0.521  0.182  1.0
  Sc  Sc1  1  0.000  0.021  0.322  1.0
  Sc  Sc2  1  0.500  0.481  0.814  1.0
  Sc  Sc3  1  0.500  0.984  0.682  1.0
  Mn  Mn4  1  0.000  0.641  0.560  1.0
  Mn  Mn5  1  0.000  0.136  0.944  1.0
  Mn  Mn6  1  0.500  0.359  0.445  1.0
  Mn  Mn7  1  0.500  0.856  0.052  1.0
  Si  Si8  1  0.000  0.779  0.870  1.0
  Si  Si9  1  0.000  0.280  0.623  1.0
  Si  Si10  1  0.500  0.215  0.120  1.0
  Si  Si11  1  0.500  0.727  0.386  1.0
[/CIF]
.
The compound described by LuSc3(MnSi)4 crystallizes in the monoclinic Pm space group. Lu(1) is bonded in a 5-coordinate geometry to one Si(1), two equivalent Si(3), and two equivalent Si(4) atoms. There are three inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a 5-coordinate geometry to one Si(2), two equivalent Si(3), and two equivalent Si(4) atoms. In the second Sc site, Sc(2) is bonded in a 5-coordinate geometry to one Si(3), two equivalent Si(1), and two equivalent Si(2) atoms. In the third Sc site, Sc(3) is bonded in a 5-coordinate geometry to one Si(4), two equivalent Si(1), and two equivalent Si(2) atoms. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one Si(1), one Si(2), and two equivalent Si(4) atoms to form distorted corner-sharing MnSi4 tetrahedra. In the second Mn site, Mn(2) is bonded to one Si(1), one Si(2), and two equivalent Si(3) atoms to form distorted corner-sharing MnSi4 tetrahedra. In the third Mn site, Mn(3) is bonded in a 4-coordinate geometry to one Si(3), one Si(4), and two equivalent Si(2) atoms. In the fourth Mn site, Mn(4) is bonded in a 4-coordinate geometry to one Si(3), one Si(4), and two equivalent Si(1) atoms. There are four inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to one Lu(1), two equivalent Sc(2), two equivalent Sc(3), one Mn(1), one Mn(2), and two equivalent Mn(4) atoms. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to one Sc(1), two equivalent Sc(2), two equivalent Sc(3), one Mn(1), one Mn(2), and two equivalent Mn(3) atoms. In the third Si site, Si(3) is bonded in a 9-coordinate geometry to two equivalent Lu(1), one Sc(2), two equivalent Sc(1), one Mn(3), one Mn(4), and two equivalent Mn(2) atoms. In the fourth Si site, Si(4) is bonded in a 9-coordinate geometry to two equivalent Lu(1), one Sc(3), two equivalent Sc(1), one Mn(3), one Mn(4), and two equivalent Mn(1) atoms. is represented by the CIF card [CIF]
data_LuSc3(MnSi)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.910
_cell_length_b   6.613
_cell_length_c   7.455
_cell_angle_alpha   89.307
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   192.786
_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
  Lu  Lu0  1  0.000  0.521  0.182  1.0
  Sc  Sc1  1  0.000  0.021  0.322  1.0
  Sc  Sc2  1  0.500  0.481  0.814  1.0
  Sc  Sc3  1  0.500  0.984  0.682  1.0
  Mn  Mn4  1  0.000  0.641  0.560  1.0
  Mn  Mn5  1  0.000  0.136  0.944  1.0
  Mn  Mn6  1  0.500  0.359  0.445  1.0
  Mn  Mn7  1  0.500  0.856  0.052  1.0
  Si  Si8  1  0.000  0.779  0.870  1.0
  Si  Si9  1  0.000  0.280  0.623  1.0
  Si  Si10  1  0.500  0.215  0.120  1.0
  Si  Si11  1  0.500  0.727  0.386  1.0
[/CIF]
.