The material described by Ca4Au5Ge3 crystallizes in the monoclinic Cm space group. There are four inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 12-coordinate geometry to one Au(1), one Au(5), two equivalent Au(4), three equivalent Au(2), two equivalent Ge(1), and three equivalent Ge(2) atoms. In the second Ca site, Ca(2) is bonded in a 11-coordinate geometry to one Au(4), two equivalent Au(1), two equivalent Au(5), three equivalent Au(3), one Ge(1), and three equivalent Ge(3) atoms. In the third Ca site, Ca(3) is bonded in a 12-coordinate geometry to one Au(2), two equivalent Au(3), three equivalent Au(1), three equivalent Au(4), one Ge(3), and two equivalent Ge(2) atoms. In the fourth Ca site, Ca(4) is bonded in a 12-coordinate geometry to one Au(3), two equivalent Au(2), three equivalent Au(5), one Ge(2), two equivalent Ge(3), and three equivalent Ge(1) atoms. There are five inequivalent Au sites. In the first Au site, Au(1) is bonded in a 10-coordinate geometry to one Ca(1), two equivalent Ca(2), three equivalent Ca(3), one Au(3), two equivalent Au(4), and one Ge(3) atom. In the second Au site, Au(2) is bonded in a 10-coordinate geometry to one Ca(3), two equivalent Ca(4), three equivalent Ca(1), one Au(5), one Ge(1), and two equivalent Ge(2) atoms. In the third Au site, Au(3) is bonded in a 10-coordinate geometry to one Ca(4), two equivalent Ca(3), three equivalent Ca(2), one Au(1), one Au(4), and two equivalent Ge(3) atoms. In the fourth Au site, Au(4) is bonded in a 10-coordinate geometry to one Ca(2), two equivalent Ca(1), three equivalent Ca(3), one Au(3), two equivalent Au(1), and one Ge(2) atom. In the fifth Au site, Au(5) is bonded in a 10-coordinate geometry to one Ca(1), two equivalent Ca(2), three equivalent Ca(4), one Au(2), one Ge(3), and two equivalent Ge(1) atoms. There are three inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a 10-coordinate geometry to one Ca(2), two equivalent Ca(1), three equivalent Ca(4), one Au(2), two equivalent Au(5), and one Ge(2) atom. In the second Ge site, Ge(2) is bonded in a 10-coordinate geometry to one Ca(4), two equivalent Ca(3), three equivalent Ca(1), one Au(4), two equivalent Au(2), and one Ge(1) atom. In the third Ge site, Ge(3) is bonded in a 10-coordinate geometry to one Ca(3), two equivalent Ca(4), three equivalent Ca(2), one Au(1), one Au(5), and two equivalent Au(3) atoms. is represented by the CIF card [CIF]
data_Ca4Ge3Au5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.808
_cell_length_b   5.808
_cell_length_c   10.657
_cell_angle_alpha   85.684
_cell_angle_beta   85.684
_cell_angle_gamma   45.904
_symmetry_Int_Tables_number   1
_cell_volume   257.283
_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
  Ca  Ca0  1  0.685  0.685  0.689  1.0
  Ca  Ca1  1  0.190  0.190  0.183  1.0
  Ca  Ca2  1  0.391  0.391  0.899  1.0
  Ca  Ca3  1  0.891  0.891  0.394  1.0
  Ge  Ge4  1  0.173  0.173  0.488  1.0
  Ge  Ge5  1  0.985  0.985  0.668  1.0
  Ge  Ge6  1  0.487  0.487  0.184  1.0
  Au  Au7  1  0.682  0.682  0.990  1.0
  Au  Au8  1  0.386  0.386  0.604  1.0
  Au  Au9  1  0.906  0.906  0.109  1.0
  Au  Au10  1  0.094  0.094  0.877  1.0
  Au  Au11  1  0.603  0.603  0.389  1.0
[/CIF]
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The material described by Ca4Au5Ge3 crystallizes in the monoclinic Cm space group. There are four inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 12-coordinate geometry to one Au(1), one Au(5), two equivalent Au(4), three equivalent Au(2), two equivalent Ge(1), and three equivalent Ge(2) atoms. In the second Ca site, Ca(2) is bonded in a 11-coordinate geometry to one Au(4), two equivalent Au(1), two equivalent Au(5), three equivalent Au(3), one Ge(1), and three equivalent Ge(3) atoms. In the third Ca site, Ca(3) is bonded in a 12-coordinate geometry to one Au(2), two equivalent Au(3), three equivalent Au(1), three equivalent Au(4), one Ge(3), and two equivalent Ge(2) atoms. In the fourth Ca site, Ca(4) is bonded in a 12-coordinate geometry to one Au(3), two equivalent Au(2), three equivalent Au(5), one Ge(2), two equivalent Ge(3), and three equivalent Ge(1) atoms. There are five inequivalent Au sites. In the first Au site, Au(1) is bonded in a 10-coordinate geometry to one Ca(1), two equivalent Ca(2), three equivalent Ca(3), one Au(3), two equivalent Au(4), and one Ge(3) atom. In the second Au site, Au(2) is bonded in a 10-coordinate geometry to one Ca(3), two equivalent Ca(4), three equivalent Ca(1), one Au(5), one Ge(1), and two equivalent Ge(2) atoms. In the third Au site, Au(3) is bonded in a 10-coordinate geometry to one Ca(4), two equivalent Ca(3), three equivalent Ca(2), one Au(1), one Au(4), and two equivalent Ge(3) atoms. In the fourth Au site, Au(4) is bonded in a 10-coordinate geometry to one Ca(2), two equivalent Ca(1), three equivalent Ca(3), one Au(3), two equivalent Au(1), and one Ge(2) atom. In the fifth Au site, Au(5) is bonded in a 10-coordinate geometry to one Ca(1), two equivalent Ca(2), three equivalent Ca(4), one Au(2), one Ge(3), and two equivalent Ge(1) atoms. There are three inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a 10-coordinate geometry to one Ca(2), two equivalent Ca(1), three equivalent Ca(4), one Au(2), two equivalent Au(5), and one Ge(2) atom. In the second Ge site, Ge(2) is bonded in a 10-coordinate geometry to one Ca(4), two equivalent Ca(3), three equivalent Ca(1), one Au(4), two equivalent Au(2), and one Ge(1) atom. In the third Ge site, Ge(3) is bonded in a 10-coordinate geometry to one Ca(3), two equivalent Ca(4), three equivalent Ca(2), one Au(1), one Au(5), and two equivalent Au(3) atoms. is represented by the CIF card [CIF]
data_Ca4Ge3Au5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.808
_cell_length_b   5.808
_cell_length_c   10.657
_cell_angle_alpha   85.684
_cell_angle_beta   85.684
_cell_angle_gamma   45.904
_symmetry_Int_Tables_number   1
_cell_volume   257.283
_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
  Ca  Ca0  1  0.685  0.685  0.689  1.0
  Ca  Ca1  1  0.190  0.190  0.183  1.0
  Ca  Ca2  1  0.391  0.391  0.899  1.0
  Ca  Ca3  1  0.891  0.891  0.394  1.0
  Ge  Ge4  1  0.173  0.173  0.488  1.0
  Ge  Ge5  1  0.985  0.985  0.668  1.0
  Ge  Ge6  1  0.487  0.487  0.184  1.0
  Au  Au7  1  0.682  0.682  0.990  1.0
  Au  Au8  1  0.386  0.386  0.604  1.0
  Au  Au9  1  0.906  0.906  0.109  1.0
  Au  Au10  1  0.094  0.094  0.877  1.0
  Au  Au11  1  0.603  0.603  0.389  1.0
[/CIF]
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