The crystal structure described by CaAuGe crystallizes in the orthorhombic Pnma space group. There are three inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 12-coordinate geometry to three equivalent Au(1), three equivalent Au(3), three equivalent Ge(1), and three equivalent Ge(3) atoms. In the second Ca site, Ca(2) is bonded in a 12-coordinate geometry to one Au(3), two equivalent Au(1), three equivalent Au(2), one Ge(3), two equivalent Ge(1), and three equivalent Ge(2) atoms. In the third Ca site, Ca(3) is bonded in a 12-coordinate geometry to one Au(1), two equivalent Au(3), three equivalent Au(2), one Ge(1), two equivalent Ge(3), and three equivalent Ge(2) atoms. There are three inequivalent Au sites. In the first Au site, Au(1) is bonded in a 10-coordinate geometry to one Ca(3), two equivalent Ca(2), three equivalent Ca(1), one Ge(1), and three equivalent Ge(3) atoms. In the second Au site, Au(2) is bonded in a 10-coordinate geometry to three equivalent Ca(2), three equivalent Ca(3), one Au(3), and three equivalent Ge(2) atoms. In the third Au site, Au(3) is bonded in a 10-coordinate geometry to one Ca(2), two equivalent Ca(3), three equivalent Ca(1), 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(3), two equivalent Ca(2), three equivalent Ca(1), one Au(1), two equivalent Au(3), and one Ge(2) atom. In the second Ge site, Ge(2) is bonded in a 10-coordinate geometry to three equivalent Ca(2), three equivalent Ca(3), three 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(2), two equivalent Ca(3), three equivalent Ca(1), one Au(3), and three equivalent Au(1) atoms. is represented by the CIF file [CIF]
data_CaGeAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.514
_cell_length_b   7.755
_cell_length_c   21.659
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   758.151
_cell_formula_units_Z   12
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  0.250  0.716  0.001  1.0
  Ca  Ca1  1  0.750  0.284  0.999  1.0
  Ca  Ca2  1  0.750  0.216  0.499  1.0
  Ca  Ca3  1  0.250  0.784  0.501  1.0
  Ca  Ca4  1  0.250  0.792  0.166  1.0
  Ca  Ca5  1  0.750  0.208  0.834  1.0
  Ca  Ca6  1  0.750  0.292  0.334  1.0
  Ca  Ca7  1  0.250  0.708  0.666  1.0
  Ca  Ca8  1  0.250  0.707  0.333  1.0
  Ca  Ca9  1  0.750  0.293  0.667  1.0
  Ca  Ca10  1  0.750  0.207  0.167  1.0
  Ca  Ca11  1  0.250  0.793  0.833  1.0
  Ge  Ge12  1  0.750  0.586  0.104  1.0
  Ge  Ge13  1  0.750  0.914  0.604  1.0
  Ge  Ge14  1  0.250  0.086  0.396  1.0
  Ge  Ge15  1  0.250  0.417  0.772  1.0
  Ge  Ge16  1  0.750  0.583  0.228  1.0
  Ge  Ge17  1  0.750  0.917  0.728  1.0
  Ge  Ge18  1  0.250  0.414  0.896  1.0
  Ge  Ge19  1  0.250  0.083  0.272  1.0
  Ge  Ge20  1  0.250  0.409  0.569  1.0
  Ge  Ge21  1  0.750  0.591  0.431  1.0
  Ge  Ge22  1  0.750  0.909  0.931  1.0
  Ge  Ge23  1  0.250  0.091  0.069  1.0
  Au  Au24  1  0.250  0.083  0.932  1.0
  Au  Au25  1  0.750  0.917  0.068  1.0
  Au  Au26  1  0.750  0.583  0.568  1.0
  Au  Au27  1  0.250  0.417  0.432  1.0
  Au  Au28  1  0.250  0.087  0.738  1.0
  Au  Au29  1  0.750  0.587  0.762  1.0
  Au  Au30  1  0.250  0.413  0.238  1.0
  Au  Au31  1  0.250  0.084  0.594  1.0
  Au  Au32  1  0.750  0.916  0.406  1.0
  Au  Au33  1  0.750  0.584  0.906  1.0
  Au  Au34  1  0.250  0.416  0.094  1.0
  Au  Au35  1  0.750  0.913  0.262  1.0
[/CIF]
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The crystal structure described by CaAuGe crystallizes in the orthorhombic Pnma space group. There are three inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 12-coordinate geometry to three equivalent Au(1), three equivalent Au(3), three equivalent Ge(1), and three equivalent Ge(3) atoms. In the second Ca site, Ca(2) is bonded in a 12-coordinate geometry to one Au(3), two equivalent Au(1), three equivalent Au(2), one Ge(3), two equivalent Ge(1), and three equivalent Ge(2) atoms. In the third Ca site, Ca(3) is bonded in a 12-coordinate geometry to one Au(1), two equivalent Au(3), three equivalent Au(2), one Ge(1), two equivalent Ge(3), and three equivalent Ge(2) atoms. There are three inequivalent Au sites. In the first Au site, Au(1) is bonded in a 10-coordinate geometry to one Ca(3), two equivalent Ca(2), three equivalent Ca(1), one Ge(1), and three equivalent Ge(3) atoms. In the second Au site, Au(2) is bonded in a 10-coordinate geometry to three equivalent Ca(2), three equivalent Ca(3), one Au(3), and three equivalent Ge(2) atoms. In the third Au site, Au(3) is bonded in a 10-coordinate geometry to one Ca(2), two equivalent Ca(3), three equivalent Ca(1), 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(3), two equivalent Ca(2), three equivalent Ca(1), one Au(1), two equivalent Au(3), and one Ge(2) atom. In the second Ge site, Ge(2) is bonded in a 10-coordinate geometry to three equivalent Ca(2), three equivalent Ca(3), three 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(2), two equivalent Ca(3), three equivalent Ca(1), one Au(3), and three equivalent Au(1) atoms. is represented by the CIF file [CIF]
data_CaGeAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.514
_cell_length_b   7.755
_cell_length_c   21.659
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   758.151
_cell_formula_units_Z   12
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  0.250  0.716  0.001  1.0
  Ca  Ca1  1  0.750  0.284  0.999  1.0
  Ca  Ca2  1  0.750  0.216  0.499  1.0
  Ca  Ca3  1  0.250  0.784  0.501  1.0
  Ca  Ca4  1  0.250  0.792  0.166  1.0
  Ca  Ca5  1  0.750  0.208  0.834  1.0
  Ca  Ca6  1  0.750  0.292  0.334  1.0
  Ca  Ca7  1  0.250  0.708  0.666  1.0
  Ca  Ca8  1  0.250  0.707  0.333  1.0
  Ca  Ca9  1  0.750  0.293  0.667  1.0
  Ca  Ca10  1  0.750  0.207  0.167  1.0
  Ca  Ca11  1  0.250  0.793  0.833  1.0
  Ge  Ge12  1  0.750  0.586  0.104  1.0
  Ge  Ge13  1  0.750  0.914  0.604  1.0
  Ge  Ge14  1  0.250  0.086  0.396  1.0
  Ge  Ge15  1  0.250  0.417  0.772  1.0
  Ge  Ge16  1  0.750  0.583  0.228  1.0
  Ge  Ge17  1  0.750  0.917  0.728  1.0
  Ge  Ge18  1  0.250  0.414  0.896  1.0
  Ge  Ge19  1  0.250  0.083  0.272  1.0
  Ge  Ge20  1  0.250  0.409  0.569  1.0
  Ge  Ge21  1  0.750  0.591  0.431  1.0
  Ge  Ge22  1  0.750  0.909  0.931  1.0
  Ge  Ge23  1  0.250  0.091  0.069  1.0
  Au  Au24  1  0.250  0.083  0.932  1.0
  Au  Au25  1  0.750  0.917  0.068  1.0
  Au  Au26  1  0.750  0.583  0.568  1.0
  Au  Au27  1  0.250  0.417  0.432  1.0
  Au  Au28  1  0.250  0.087  0.738  1.0
  Au  Au29  1  0.750  0.587  0.762  1.0
  Au  Au30  1  0.250  0.413  0.238  1.0
  Au  Au31  1  0.250  0.084  0.594  1.0
  Au  Au32  1  0.750  0.916  0.406  1.0
  Au  Au33  1  0.750  0.584  0.906  1.0
  Au  Au34  1  0.250  0.416  0.094  1.0
  Au  Au35  1  0.750  0.913  0.262  1.0
[/CIF]
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