The material described by Yb4Si7 is Magnesium tetraboride-like structured and crystallizes in the monoclinic P2_1/m space group. There are two inequivalent Yb sites. In the first Yb site, Yb(1) is bonded in a 8-coordinate geometry to one Yb(2), one Si(1), one Si(3), one Si(4), one Si(5), two equivalent Si(2), two equivalent Si(6), and two equivalent Si(7) atoms. In the second Yb site, Yb(2) is bonded in a 11-coordinate geometry to one Yb(1), one Si(1), one Si(2), one Si(5), one Si(6), two equivalent Si(3), two equivalent Si(4), and two equivalent Si(7) atoms. There are seven inequivalent Si sites. In the first Si site, Si(1) is bonded in a 8-coordinate geometry to two equivalent Yb(1), two equivalent Yb(2), one Si(2), one Si(4), one Si(5), and one Si(6) atom. In the second Si site, Si(2) is bonded in a 8-coordinate geometry to two equivalent Yb(2), four equivalent Yb(1), one Si(1), and one Si(5) atom. In the third Si site, Si(3) is bonded in a 9-coordinate geometry to two equivalent Yb(1), four equivalent Yb(2), one Si(4), one Si(5), and one Si(7) atom. In the fourth Si site, Si(4) is bonded in a 9-coordinate geometry to two equivalent Yb(1), four equivalent Yb(2), one Si(1), one Si(3), and one Si(7) atom. In the fifth Si site, Si(5) is bonded in a 8-coordinate geometry to two equivalent Yb(1), two equivalent Yb(2), one Si(1), one Si(2), one Si(3), and one Si(6) atom. In the sixth Si site, Si(6) is bonded in a 8-coordinate geometry to two equivalent Yb(2), four equivalent Yb(1), one Si(1), and one Si(5) atom. In the seventh Si site, Si(7) is bonded in a 10-coordinate geometry to four equivalent Yb(1), four equivalent Yb(2), one Si(3), and one Si(4) atom. is represented by the CIF card [CIF]
data_Yb4Si7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.221
_cell_length_b   6.717
_cell_length_c   8.388
_cell_angle_alpha   98.778
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   235.032
_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
  Si  Si0  1  0.500  0.453  0.653  1.0
  Si  Si1  1  0.500  0.794  0.580  1.0
  Si  Si2  1  0.500  0.547  0.347  1.0
  Si  Si3  1  0.500  0.650  0.091  1.0
  Si  Si4  1  0.500  0.350  0.909  1.0
  Si  Si5  1  0.500  0.206  0.420  1.0
  Si  Si6  1  0.500  0.000  0.000  1.0
  Yb  Yb7  1  0.000  0.870  0.311  1.0
  Yb  Yb8  1  0.000  0.700  0.840  1.0
  Yb  Yb9  1  0.000  0.300  0.160  1.0
  Yb  Yb10  1  0.000  0.130  0.689  1.0
[/CIF]
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The material described by Yb4Si7 is Magnesium tetraboride-like structured and crystallizes in the monoclinic P2_1/m space group. There are two inequivalent Yb sites. In the first Yb site, Yb(1) is bonded in a 8-coordinate geometry to one Yb(2), one Si(1), one Si(3), one Si(4), one Si(5), two equivalent Si(2), two equivalent Si(6), and two equivalent Si(7) atoms. In the second Yb site, Yb(2) is bonded in a 11-coordinate geometry to one Yb(1), one Si(1), one Si(2), one Si(5), one Si(6), two equivalent Si(3), two equivalent Si(4), and two equivalent Si(7) atoms. There are seven inequivalent Si sites. In the first Si site, Si(1) is bonded in a 8-coordinate geometry to two equivalent Yb(1), two equivalent Yb(2), one Si(2), one Si(4), one Si(5), and one Si(6) atom. In the second Si site, Si(2) is bonded in a 8-coordinate geometry to two equivalent Yb(2), four equivalent Yb(1), one Si(1), and one Si(5) atom. In the third Si site, Si(3) is bonded in a 9-coordinate geometry to two equivalent Yb(1), four equivalent Yb(2), one Si(4), one Si(5), and one Si(7) atom. In the fourth Si site, Si(4) is bonded in a 9-coordinate geometry to two equivalent Yb(1), four equivalent Yb(2), one Si(1), one Si(3), and one Si(7) atom. In the fifth Si site, Si(5) is bonded in a 8-coordinate geometry to two equivalent Yb(1), two equivalent Yb(2), one Si(1), one Si(2), one Si(3), and one Si(6) atom. In the sixth Si site, Si(6) is bonded in a 8-coordinate geometry to two equivalent Yb(2), four equivalent Yb(1), one Si(1), and one Si(5) atom. In the seventh Si site, Si(7) is bonded in a 10-coordinate geometry to four equivalent Yb(1), four equivalent Yb(2), one Si(3), and one Si(4) atom. is represented by the CIF card [CIF]
data_Yb4Si7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.221
_cell_length_b   6.717
_cell_length_c   8.388
_cell_angle_alpha   98.778
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   235.032
_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
  Si  Si0  1  0.500  0.453  0.653  1.0
  Si  Si1  1  0.500  0.794  0.580  1.0
  Si  Si2  1  0.500  0.547  0.347  1.0
  Si  Si3  1  0.500  0.650  0.091  1.0
  Si  Si4  1  0.500  0.350  0.909  1.0
  Si  Si5  1  0.500  0.206  0.420  1.0
  Si  Si6  1  0.500  0.000  0.000  1.0
  Yb  Yb7  1  0.000  0.870  0.311  1.0
  Yb  Yb8  1  0.000  0.700  0.840  1.0
  Yb  Yb9  1  0.000  0.300  0.160  1.0
  Yb  Yb10  1  0.000  0.130  0.689  1.0
[/CIF]
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