The material described by Lu4RuGe8 crystallizes in the orthorhombic Pmm2 space group. There are four inequivalent Lu sites. In the first Lu site, Lu(1) is bonded in a 10-coordinate geometry to two equivalent Ge(2), two equivalent Ge(5), two equivalent Ge(7), and four equivalent Ge(3) atoms. In the second Lu site, Lu(2) is bonded in a 10-coordinate geometry to two equivalent Ge(1), two equivalent Ge(6), two equivalent Ge(8), and four equivalent Ge(4) atoms. In the third Lu site, Lu(3) is bonded in a 14-coordinate geometry to four equivalent Ru(1), two equivalent Ge(4), two equivalent Ge(5), two equivalent Ge(7), and four equivalent Ge(1) atoms. In the fourth Lu site, Lu(4) is bonded in a 10-coordinate geometry to two equivalent Ge(3), two equivalent Ge(6), two equivalent Ge(8), and four equivalent Ge(2) atoms. Ru(1) is bonded in a 9-coordinate geometry to four equivalent Lu(3), one Ge(1), two equivalent Ge(5), and two equivalent Ge(7) atoms. There are eight inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a 9-coordinate geometry to two equivalent Lu(2), four equivalent Lu(3), one Ru(1), and two equivalent Ge(4) atoms. In the second Ge site, Ge(2) is bonded in a 8-coordinate geometry to two equivalent Lu(1), four equivalent Lu(4), and two equivalent Ge(3) atoms. In the third Ge site, Ge(3) is bonded in a 8-coordinate geometry to two equivalent Lu(4), four equivalent Lu(1), and two equivalent Ge(2) atoms. In the fourth Ge site, Ge(4) is bonded in a 8-coordinate geometry to two equivalent Lu(3), four equivalent Lu(2), and two equivalent Ge(1) atoms. In the fifth Ge site, Ge(5) is bonded in a 4-coordinate geometry to two equivalent Lu(1), two equivalent Lu(3), and two equivalent Ru(1) atoms. In the sixth Ge site, Ge(6) is bonded in a 8-coordinate geometry to two equivalent Lu(2), two equivalent Lu(4), and four equivalent Ge(8) atoms. In the seventh Ge site, Ge(7) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Lu(1), two equivalent Lu(3), and two equivalent Ru(1) atoms. In the eighth Ge site, Ge(8) is bonded in a 8-coordinate geometry to two equivalent Lu(2), two equivalent Lu(4), and four equivalent Ge(6) atoms. is represented by the CIF card [CIF]
data_Lu4Ge8Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.985
_cell_length_b   4.131
_cell_length_c   15.960
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   262.754
_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  0.250  0.000  0.097  1.0
  Lu  Lu1  1  0.250  0.500  0.610  1.0
  Lu  Lu2  1  0.750  0.500  0.400  1.0
  Lu  Lu3  1  0.750  0.000  0.895  1.0
  Ge  Ge4  1  0.250  0.000  0.465  1.0
  Ge  Ge5  1  0.250  0.500  0.943  1.0
  Ge  Ge6  1  0.750  0.500  0.052  1.0
  Ge  Ge7  1  0.750  0.000  0.569  1.0
  Ge  Ge8  1  0.250  0.500  0.229  1.0
  Ge  Ge9  1  0.250  0.000  0.750  1.0
  Ge  Ge10  1  0.750  0.000  0.228  1.0
  Ge  Ge11  1  0.750  0.500  0.755  1.0
  Ru  Ru12  1  0.250  0.000  0.314  1.0
[/CIF]
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The material described by Lu4RuGe8 crystallizes in the orthorhombic Pmm2 space group. There are four inequivalent Lu sites. In the first Lu site, Lu(1) is bonded in a 10-coordinate geometry to two equivalent Ge(2), two equivalent Ge(5), two equivalent Ge(7), and four equivalent Ge(3) atoms. In the second Lu site, Lu(2) is bonded in a 10-coordinate geometry to two equivalent Ge(1), two equivalent Ge(6), two equivalent Ge(8), and four equivalent Ge(4) atoms. In the third Lu site, Lu(3) is bonded in a 14-coordinate geometry to four equivalent Ru(1), two equivalent Ge(4), two equivalent Ge(5), two equivalent Ge(7), and four equivalent Ge(1) atoms. In the fourth Lu site, Lu(4) is bonded in a 10-coordinate geometry to two equivalent Ge(3), two equivalent Ge(6), two equivalent Ge(8), and four equivalent Ge(2) atoms. Ru(1) is bonded in a 9-coordinate geometry to four equivalent Lu(3), one Ge(1), two equivalent Ge(5), and two equivalent Ge(7) atoms. There are eight inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a 9-coordinate geometry to two equivalent Lu(2), four equivalent Lu(3), one Ru(1), and two equivalent Ge(4) atoms. In the second Ge site, Ge(2) is bonded in a 8-coordinate geometry to two equivalent Lu(1), four equivalent Lu(4), and two equivalent Ge(3) atoms. In the third Ge site, Ge(3) is bonded in a 8-coordinate geometry to two equivalent Lu(4), four equivalent Lu(1), and two equivalent Ge(2) atoms. In the fourth Ge site, Ge(4) is bonded in a 8-coordinate geometry to two equivalent Lu(3), four equivalent Lu(2), and two equivalent Ge(1) atoms. In the fifth Ge site, Ge(5) is bonded in a 4-coordinate geometry to two equivalent Lu(1), two equivalent Lu(3), and two equivalent Ru(1) atoms. In the sixth Ge site, Ge(6) is bonded in a 8-coordinate geometry to two equivalent Lu(2), two equivalent Lu(4), and four equivalent Ge(8) atoms. In the seventh Ge site, Ge(7) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Lu(1), two equivalent Lu(3), and two equivalent Ru(1) atoms. In the eighth Ge site, Ge(8) is bonded in a 8-coordinate geometry to two equivalent Lu(2), two equivalent Lu(4), and four equivalent Ge(6) atoms. is represented by the CIF card [CIF]
data_Lu4Ge8Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.985
_cell_length_b   4.131
_cell_length_c   15.960
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   262.754
_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  0.250  0.000  0.097  1.0
  Lu  Lu1  1  0.250  0.500  0.610  1.0
  Lu  Lu2  1  0.750  0.500  0.400  1.0
  Lu  Lu3  1  0.750  0.000  0.895  1.0
  Ge  Ge4  1  0.250  0.000  0.465  1.0
  Ge  Ge5  1  0.250  0.500  0.943  1.0
  Ge  Ge6  1  0.750  0.500  0.052  1.0
  Ge  Ge7  1  0.750  0.000  0.569  1.0
  Ge  Ge8  1  0.250  0.500  0.229  1.0
  Ge  Ge9  1  0.250  0.000  0.750  1.0
  Ge  Ge10  1  0.750  0.000  0.228  1.0
  Ge  Ge11  1  0.750  0.500  0.755  1.0
  Ru  Ru12  1  0.250  0.000  0.314  1.0
[/CIF]
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