The compound described by Yb4Mn2Sn5 crystallizes in the monoclinic C2/m space group. There are two inequivalent Yb sites. In the first Yb site, Yb(1) is bonded in a 11-coordinate geometry to three equivalent Mn(1), two equivalent Sn(2), two equivalent Sn(3), and four equivalent Sn(1) atoms. In the second Yb site, Yb(2) is bonded in a 8-coordinate geometry to one Mn(1), two equivalent Sn(1), two equivalent Sn(3), and three equivalent Sn(2) atoms. Mn(1) is bonded in a 4-coordinate geometry to one Yb(2), three equivalent Yb(1), one Sn(1), and three equivalent Sn(2) atoms. There are three inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 9-coordinate geometry to two equivalent Yb(2), four equivalent Yb(1), one Mn(1), one Sn(1), and one Sn(3) atom. In the second Sn site, Sn(2) is bonded in a 8-coordinate geometry to two equivalent Yb(1), three equivalent Yb(2), three equivalent Mn(1), and one Sn(3) atom. In the third Sn site, Sn(3) is bonded to four equivalent Yb(1), four equivalent Yb(2), two equivalent Sn(1), and two equivalent Sn(2) atoms to form face-sharing SnYb8Sn4 cuboctahedra. is represented by the CIF file [CIF]
data_Yb4Mn2Sn5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.674
_cell_length_b   8.674
_cell_length_c   7.694
_cell_angle_alpha   73.210
_cell_angle_beta   73.210
_cell_angle_gamma   30.901
_symmetry_Int_Tables_number   1
_cell_volume   283.608
_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
  Yb  Yb0  1  0.079  0.079  0.137  1.0
  Yb  Yb1  1  0.150  0.150  0.562  1.0
  Yb  Yb2  1  0.921  0.921  0.863  1.0
  Yb  Yb3  1  0.850  0.850  0.438  1.0
  Mn  Mn4  1  0.724  0.724  0.889  1.0
  Mn  Mn5  1  0.276  0.276  0.111  1.0
  Sn  Sn6  1  0.571  0.571  0.839  1.0
  Sn  Sn7  1  0.696  0.696  0.256  1.0
  Sn  Sn8  1  0.500  0.500  0.500  1.0
  Sn  Sn9  1  0.429  0.429  0.161  1.0
  Sn  Sn10  1  0.304  0.304  0.744  1.0
[/CIF]
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The compound described by Yb4Mn2Sn5 crystallizes in the monoclinic C2/m space group. There are two inequivalent Yb sites. In the first Yb site, Yb(1) is bonded in a 11-coordinate geometry to three equivalent Mn(1), two equivalent Sn(2), two equivalent Sn(3), and four equivalent Sn(1) atoms. In the second Yb site, Yb(2) is bonded in a 8-coordinate geometry to one Mn(1), two equivalent Sn(1), two equivalent Sn(3), and three equivalent Sn(2) atoms. Mn(1) is bonded in a 4-coordinate geometry to one Yb(2), three equivalent Yb(1), one Sn(1), and three equivalent Sn(2) atoms. There are three inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 9-coordinate geometry to two equivalent Yb(2), four equivalent Yb(1), one Mn(1), one Sn(1), and one Sn(3) atom. In the second Sn site, Sn(2) is bonded in a 8-coordinate geometry to two equivalent Yb(1), three equivalent Yb(2), three equivalent Mn(1), and one Sn(3) atom. In the third Sn site, Sn(3) is bonded to four equivalent Yb(1), four equivalent Yb(2), two equivalent Sn(1), and two equivalent Sn(2) atoms to form face-sharing SnYb8Sn4 cuboctahedra. is represented by the CIF file [CIF]
data_Yb4Mn2Sn5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.674
_cell_length_b   8.674
_cell_length_c   7.694
_cell_angle_alpha   73.210
_cell_angle_beta   73.210
_cell_angle_gamma   30.901
_symmetry_Int_Tables_number   1
_cell_volume   283.608
_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
  Yb  Yb0  1  0.079  0.079  0.137  1.0
  Yb  Yb1  1  0.150  0.150  0.562  1.0
  Yb  Yb2  1  0.921  0.921  0.863  1.0
  Yb  Yb3  1  0.850  0.850  0.438  1.0
  Mn  Mn4  1  0.724  0.724  0.889  1.0
  Mn  Mn5  1  0.276  0.276  0.111  1.0
  Sn  Sn6  1  0.571  0.571  0.839  1.0
  Sn  Sn7  1  0.696  0.696  0.256  1.0
  Sn  Sn8  1  0.500  0.500  0.500  1.0
  Sn  Sn9  1  0.429  0.429  0.161  1.0
  Sn  Sn10  1  0.304  0.304  0.744  1.0
[/CIF]
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