The material structure described by Ca3Al2Ge3 is Magnesium tetraboride-derived structured and crystallizes in the orthorhombic Pnma space group. There are three inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 11-coordinate geometry to two equivalent Al(1), three equivalent Al(2), one Ge(2), two equivalent Ge(3), and three equivalent Ge(1) atoms. In the second Ca site, Ca(2) is bonded in a 8-coordinate geometry to one Al(1), two equivalent Al(2), two equivalent Ge(2), and three equivalent Ge(3) atoms. In the third Ca site, Ca(3) is bonded in a 9-coordinate geometry to one Al(2), two equivalent Al(1), two equivalent Ge(1), two equivalent Ge(2), and two equivalent Ge(3) atoms. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a 9-coordinate geometry to one Ca(2), two equivalent Ca(1), two equivalent Ca(3), one Ge(1), one Ge(3), and two equivalent Ge(2) atoms. In the second Al site, Al(2) is bonded in a 10-coordinate geometry to one Ca(3), two equivalent Ca(2), three equivalent Ca(1), one Ge(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 8-coordinate geometry to two equivalent Ca(3), three equivalent Ca(1), one Al(1), and two equivalent Al(2) atoms. In the second Ge site, Ge(2) is bonded in a 7-coordinate geometry to one Ca(1), two equivalent Ca(2), two equivalent Ca(3), one Al(2), and two equivalent Al(1) atoms. In the third Ge site, Ge(3) is bonded in a 9-coordinate geometry to two equivalent Ca(1), two equivalent Ca(3), three equivalent Ca(2), one Al(1), and one Al(2) atom. is represented by the CIF file [CIF]
data_Ca3Al2Ge3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.336
_cell_length_b   11.392
_cell_length_c   14.780
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   730.144
_cell_formula_units_Z   4
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  0.894  0.566  1.0
  Ca  Ca1  1  0.750  0.106  0.434  1.0
  Ca  Ca2  1  0.250  0.394  0.934  1.0
  Ca  Ca3  1  0.750  0.606  0.066  1.0
  Ca  Ca4  1  0.250  0.606  0.438  1.0
  Ca  Ca5  1  0.750  0.394  0.562  1.0
  Ca  Ca6  1  0.250  0.106  0.062  1.0
  Ca  Ca7  1  0.750  0.894  0.938  1.0
  Ca  Ca8  1  0.750  0.378  0.297  1.0
  Ca  Ca9  1  0.250  0.622  0.703  1.0
  Ca  Ca10  1  0.750  0.878  0.203  1.0
  Ca  Ca11  1  0.250  0.122  0.797  1.0
  Al  Al12  1  0.750  0.861  0.709  1.0
  Al  Al13  1  0.250  0.139  0.291  1.0
  Al  Al14  1  0.750  0.361  0.791  1.0
  Al  Al15  1  0.250  0.639  0.209  1.0
  Al  Al16  1  0.250  0.684  0.911  1.0
  Al  Al17  1  0.750  0.316  0.089  1.0
  Al  Al18  1  0.250  0.184  0.589  1.0
  Al  Al19  1  0.750  0.816  0.411  1.0
  Ge  Ge20  1  0.250  0.929  0.363  1.0
  Ge  Ge21  1  0.750  0.071  0.637  1.0
  Ge  Ge22  1  0.250  0.429  0.137  1.0
  Ge  Ge23  1  0.750  0.571  0.863  1.0
  Ge  Ge24  1  0.250  0.860  0.799  1.0
  Ge  Ge25  1  0.750  0.140  0.201  1.0
  Ge  Ge26  1  0.250  0.360  0.701  1.0
  Ge  Ge27  1  0.750  0.640  0.299  1.0
  Ge  Ge28  1  0.250  0.299  0.434  1.0
  Ge  Ge29  1  0.750  0.701  0.566  1.0
  Ge  Ge30  1  0.250  0.799  0.066  1.0
  Ge  Ge31  1  0.750  0.201  0.934  1.0
[/CIF]
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The material structure described by Ca3Al2Ge3 is Magnesium tetraboride-derived structured and crystallizes in the orthorhombic Pnma space group. There are three inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 11-coordinate geometry to two equivalent Al(1), three equivalent Al(2), one Ge(2), two equivalent Ge(3), and three equivalent Ge(1) atoms. In the second Ca site, Ca(2) is bonded in a 8-coordinate geometry to one Al(1), two equivalent Al(2), two equivalent Ge(2), and three equivalent Ge(3) atoms. In the third Ca site, Ca(3) is bonded in a 9-coordinate geometry to one Al(2), two equivalent Al(1), two equivalent Ge(1), two equivalent Ge(2), and two equivalent Ge(3) atoms. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a 9-coordinate geometry to one Ca(2), two equivalent Ca(1), two equivalent Ca(3), one Ge(1), one Ge(3), and two equivalent Ge(2) atoms. In the second Al site, Al(2) is bonded in a 10-coordinate geometry to one Ca(3), two equivalent Ca(2), three equivalent Ca(1), one Ge(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 8-coordinate geometry to two equivalent Ca(3), three equivalent Ca(1), one Al(1), and two equivalent Al(2) atoms. In the second Ge site, Ge(2) is bonded in a 7-coordinate geometry to one Ca(1), two equivalent Ca(2), two equivalent Ca(3), one Al(2), and two equivalent Al(1) atoms. In the third Ge site, Ge(3) is bonded in a 9-coordinate geometry to two equivalent Ca(1), two equivalent Ca(3), three equivalent Ca(2), one Al(1), and one Al(2) atom. is represented by the CIF file [CIF]
data_Ca3Al2Ge3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.336
_cell_length_b   11.392
_cell_length_c   14.780
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   730.144
_cell_formula_units_Z   4
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  0.894  0.566  1.0
  Ca  Ca1  1  0.750  0.106  0.434  1.0
  Ca  Ca2  1  0.250  0.394  0.934  1.0
  Ca  Ca3  1  0.750  0.606  0.066  1.0
  Ca  Ca4  1  0.250  0.606  0.438  1.0
  Ca  Ca5  1  0.750  0.394  0.562  1.0
  Ca  Ca6  1  0.250  0.106  0.062  1.0
  Ca  Ca7  1  0.750  0.894  0.938  1.0
  Ca  Ca8  1  0.750  0.378  0.297  1.0
  Ca  Ca9  1  0.250  0.622  0.703  1.0
  Ca  Ca10  1  0.750  0.878  0.203  1.0
  Ca  Ca11  1  0.250  0.122  0.797  1.0
  Al  Al12  1  0.750  0.861  0.709  1.0
  Al  Al13  1  0.250  0.139  0.291  1.0
  Al  Al14  1  0.750  0.361  0.791  1.0
  Al  Al15  1  0.250  0.639  0.209  1.0
  Al  Al16  1  0.250  0.684  0.911  1.0
  Al  Al17  1  0.750  0.316  0.089  1.0
  Al  Al18  1  0.250  0.184  0.589  1.0
  Al  Al19  1  0.750  0.816  0.411  1.0
  Ge  Ge20  1  0.250  0.929  0.363  1.0
  Ge  Ge21  1  0.750  0.071  0.637  1.0
  Ge  Ge22  1  0.250  0.429  0.137  1.0
  Ge  Ge23  1  0.750  0.571  0.863  1.0
  Ge  Ge24  1  0.250  0.860  0.799  1.0
  Ge  Ge25  1  0.750  0.140  0.201  1.0
  Ge  Ge26  1  0.250  0.360  0.701  1.0
  Ge  Ge27  1  0.750  0.640  0.299  1.0
  Ge  Ge28  1  0.250  0.299  0.434  1.0
  Ge  Ge29  1  0.750  0.701  0.566  1.0
  Ge  Ge30  1  0.250  0.799  0.066  1.0
  Ge  Ge31  1  0.750  0.201  0.934  1.0
[/CIF]
.