The material structure described by Sc2Mo3Ge4 is delta Molybdenum Boride-derived structured and crystallizes in the orthorhombic Pnma space group. Sc(1) is bonded in a 7-coordinate geometry to one Ge(2), two equivalent Ge(3), and four equivalent Ge(1) atoms. There are two inequivalent Mo sites. In the first Mo site, Mo(2) is bonded in a 6-coordinate geometry to two equivalent Ge(1), two equivalent Ge(2), and two equivalent Ge(3) atoms. In the second Mo site, Mo(1) is bonded in a 6-coordinate geometry to one Ge(3), two equivalent Ge(2), and three equivalent Ge(1) atoms. There are three inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a 9-coordinate geometry to four equivalent Sc(1), one Mo(2), three equivalent Mo(1), and one Ge(1) atom. In the second Ge site, Ge(2) is bonded in a 9-coordinate geometry to two equivalent Sc(1), two equivalent Mo(2), four equivalent Mo(1), and one Ge(3) atom. In the third Ge site, Ge(3) is bonded in a 9-coordinate geometry to four equivalent Sc(1), two equivalent Mo(1), two equivalent Mo(2), and one Ge(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sc2Ge4Mo3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.734
_cell_length_b   6.932
_cell_length_c   12.908
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   602.581
_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
  Sc  Sc0  1  0.490  0.674  0.592  1.0
  Sc  Sc1  1  0.990  0.826  0.908  1.0
  Sc  Sc2  1  0.510  0.326  0.092  1.0
  Sc  Sc3  1  0.010  0.174  0.408  1.0
  Sc  Sc4  1  0.510  0.326  0.408  1.0
  Sc  Sc5  1  0.010  0.174  0.092  1.0
  Sc  Sc6  1  0.490  0.674  0.908  1.0
  Sc  Sc7  1  0.990  0.826  0.592  1.0
  Ge  Ge8  1  0.678  0.960  0.455  1.0
  Ge  Ge9  1  0.178  0.540  0.045  1.0
  Ge  Ge10  1  0.322  0.040  0.955  1.0
  Ge  Ge11  1  0.822  0.460  0.545  1.0
  Ge  Ge12  1  0.322  0.040  0.545  1.0
  Ge  Ge13  1  0.822  0.460  0.955  1.0
  Ge  Ge14  1  0.678  0.960  0.045  1.0
  Ge  Ge15  1  0.178  0.540  0.455  1.0
  Ge  Ge16  1  0.464  0.378  0.750  1.0
  Ge  Ge17  1  0.964  0.122  0.750  1.0
  Ge  Ge18  1  0.536  0.622  0.250  1.0
  Ge  Ge19  1  0.036  0.878  0.250  1.0
  Ge  Ge20  1  0.689  0.852  0.750  1.0
  Ge  Ge21  1  0.189  0.648  0.750  1.0
  Ge  Ge22  1  0.311  0.148  0.250  1.0
  Ge  Ge23  1  0.811  0.352  0.250  1.0
  Mo  Mo24  1  0.664  0.161  0.625  1.0
  Mo  Mo25  1  0.164  0.339  0.875  1.0
  Mo  Mo26  1  0.336  0.839  0.125  1.0
  Mo  Mo27  1  0.836  0.661  0.375  1.0
  Mo  Mo28  1  0.336  0.839  0.375  1.0
  Mo  Mo29  1  0.836  0.661  0.125  1.0
  Mo  Mo30  1  0.664  0.161  0.875  1.0
  Mo  Mo31  1  0.164  0.339  0.625  1.0
  Mo  Mo32  1  0.831  0.500  0.750  1.0
  Mo  Mo33  1  0.331  1.000  0.750  1.0
  Mo  Mo34  1  0.169  0.500  0.250  1.0
  Mo  Mo35  1  0.669  0.000  0.250  1.0
[/CIF]
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The material structure described by Sc2Mo3Ge4 is delta Molybdenum Boride-derived structured and crystallizes in the orthorhombic Pnma space group. Sc(1) is bonded in a 7-coordinate geometry to one Ge(2), two equivalent Ge(3), and four equivalent Ge(1) atoms. There are two inequivalent Mo sites. In the first Mo site, Mo(2) is bonded in a 6-coordinate geometry to two equivalent Ge(1), two equivalent Ge(2), and two equivalent Ge(3) atoms. In the second Mo site, Mo(1) is bonded in a 6-coordinate geometry to one Ge(3), two equivalent Ge(2), and three equivalent Ge(1) atoms. There are three inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a 9-coordinate geometry to four equivalent Sc(1), one Mo(2), three equivalent Mo(1), and one Ge(1) atom. In the second Ge site, Ge(2) is bonded in a 9-coordinate geometry to two equivalent Sc(1), two equivalent Mo(2), four equivalent Mo(1), and one Ge(3) atom. In the third Ge site, Ge(3) is bonded in a 9-coordinate geometry to four equivalent Sc(1), two equivalent Mo(1), two equivalent Mo(2), and one Ge(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sc2Ge4Mo3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.734
_cell_length_b   6.932
_cell_length_c   12.908
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   602.581
_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
  Sc  Sc0  1  0.490  0.674  0.592  1.0
  Sc  Sc1  1  0.990  0.826  0.908  1.0
  Sc  Sc2  1  0.510  0.326  0.092  1.0
  Sc  Sc3  1  0.010  0.174  0.408  1.0
  Sc  Sc4  1  0.510  0.326  0.408  1.0
  Sc  Sc5  1  0.010  0.174  0.092  1.0
  Sc  Sc6  1  0.490  0.674  0.908  1.0
  Sc  Sc7  1  0.990  0.826  0.592  1.0
  Ge  Ge8  1  0.678  0.960  0.455  1.0
  Ge  Ge9  1  0.178  0.540  0.045  1.0
  Ge  Ge10  1  0.322  0.040  0.955  1.0
  Ge  Ge11  1  0.822  0.460  0.545  1.0
  Ge  Ge12  1  0.322  0.040  0.545  1.0
  Ge  Ge13  1  0.822  0.460  0.955  1.0
  Ge  Ge14  1  0.678  0.960  0.045  1.0
  Ge  Ge15  1  0.178  0.540  0.455  1.0
  Ge  Ge16  1  0.464  0.378  0.750  1.0
  Ge  Ge17  1  0.964  0.122  0.750  1.0
  Ge  Ge18  1  0.536  0.622  0.250  1.0
  Ge  Ge19  1  0.036  0.878  0.250  1.0
  Ge  Ge20  1  0.689  0.852  0.750  1.0
  Ge  Ge21  1  0.189  0.648  0.750  1.0
  Ge  Ge22  1  0.311  0.148  0.250  1.0
  Ge  Ge23  1  0.811  0.352  0.250  1.0
  Mo  Mo24  1  0.664  0.161  0.625  1.0
  Mo  Mo25  1  0.164  0.339  0.875  1.0
  Mo  Mo26  1  0.336  0.839  0.125  1.0
  Mo  Mo27  1  0.836  0.661  0.375  1.0
  Mo  Mo28  1  0.336  0.839  0.375  1.0
  Mo  Mo29  1  0.836  0.661  0.125  1.0
  Mo  Mo30  1  0.664  0.161  0.875  1.0
  Mo  Mo31  1  0.164  0.339  0.625  1.0
  Mo  Mo32  1  0.831  0.500  0.750  1.0
  Mo  Mo33  1  0.331  1.000  0.750  1.0
  Mo  Mo34  1  0.169  0.500  0.250  1.0
  Mo  Mo35  1  0.669  0.000  0.250  1.0
[/CIF]
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