The material structure described by Sc2Mn12GaGe11 crystallizes in the hexagonal P-6m2 space group. Sc(1) is bonded to one Ge(3), one Ge(4), three equivalent Ge(1), and three equivalent Ge(2) atoms to form distorted edge-sharing ScGe8 hexagonal bipyramids. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 6-coordinate geometry to one Ga(1), one Ge(1), one Ge(2), one Ge(6), and two equivalent Ge(3) atoms. In the second Mn site, Mn(2) is bonded in a 6-coordinate geometry to one Ge(1), one Ge(2), one Ge(5), one Ge(7), and two equivalent Ge(4) atoms. Ga(1) is bonded in a 9-coordinate geometry to six equivalent Mn(1) and three equivalent Ge(6) atoms. There are seven inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a 9-coordinate geometry to three equivalent Sc(1), three equivalent Mn(1), and three equivalent Mn(2) atoms. In the second Ge site, Ge(2) is bonded in a 9-coordinate geometry to three equivalent Sc(1), three equivalent Mn(1), and three equivalent Mn(2) atoms. In the third Ge site, Ge(3) is bonded in a 8-coordinate geometry to one Sc(1), six equivalent Mn(1), and one Ge(3) atom. In the fourth Ge site, Ge(4) is bonded in a 8-coordinate geometry to one Sc(1), six equivalent Mn(2), and one Ge(4) atom. In the fifth Ge site, Ge(5) is bonded in a 6-coordinate geometry to six equivalent Mn(2) atoms. In the sixth Ge site, Ge(6) is bonded in a 6-coordinate geometry to six equivalent Mn(1) and three equivalent Ga(1) atoms. In the seventh Ge site, Ge(7) is bonded in a 6-coordinate geometry to six equivalent Mn(2) atoms. is represented by the CIF card [CIF]
data_Sc2Mn12GaGe11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.103
_cell_length_b   5.103
_cell_length_c   16.279
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   367.125
_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
  Sc  Sc0  1  0.667  0.333  0.750  1.0
  Sc  Sc1  1  0.667  0.333  0.250  1.0
  Mn  Mn2  1  0.167  0.335  0.627  1.0
  Mn  Mn3  1  0.167  0.333  0.124  1.0
  Mn  Mn4  1  0.665  0.833  0.627  1.0
  Mn  Mn5  1  0.667  0.833  0.124  1.0
  Mn  Mn6  1  0.167  0.833  0.627  1.0
  Mn  Mn7  1  0.167  0.833  0.124  1.0
  Mn  Mn8  1  0.167  0.335  0.373  1.0
  Mn  Mn9  1  0.167  0.333  0.876  1.0
  Mn  Mn10  1  0.665  0.833  0.373  1.0
  Mn  Mn11  1  0.667  0.833  0.876  1.0
  Mn  Mn12  1  0.167  0.833  0.373  1.0
  Mn  Mn13  1  0.167  0.833  0.876  1.0
  Ga  Ga14  1  0.000  0.000  0.500  1.0
  Ge  Ge15  1  1.000  1.000  0.249  1.0
  Ge  Ge16  1  1.000  1.000  0.751  1.0
  Ge  Ge17  1  0.333  0.667  0.751  1.0
  Ge  Ge18  1  0.333  0.667  0.249  1.0
  Ge  Ge19  1  0.667  0.333  0.581  1.0
  Ge  Ge20  1  0.667  0.333  0.081  1.0
  Ge  Ge21  1  0.667  0.333  0.419  1.0
  Ge  Ge22  1  0.667  0.333  0.919  1.0
  Ge  Ge23  1  1.000  1.000  0.000  1.0
  Ge  Ge24  1  0.333  0.667  0.500  1.0
  Ge  Ge25  1  0.333  0.667  0.000  1.0
[/CIF]
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The material structure described by Sc2Mn12GaGe11 crystallizes in the hexagonal P-6m2 space group. Sc(1) is bonded to one Ge(3), one Ge(4), three equivalent Ge(1), and three equivalent Ge(2) atoms to form distorted edge-sharing ScGe8 hexagonal bipyramids. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 6-coordinate geometry to one Ga(1), one Ge(1), one Ge(2), one Ge(6), and two equivalent Ge(3) atoms. In the second Mn site, Mn(2) is bonded in a 6-coordinate geometry to one Ge(1), one Ge(2), one Ge(5), one Ge(7), and two equivalent Ge(4) atoms. Ga(1) is bonded in a 9-coordinate geometry to six equivalent Mn(1) and three equivalent Ge(6) atoms. There are seven inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a 9-coordinate geometry to three equivalent Sc(1), three equivalent Mn(1), and three equivalent Mn(2) atoms. In the second Ge site, Ge(2) is bonded in a 9-coordinate geometry to three equivalent Sc(1), three equivalent Mn(1), and three equivalent Mn(2) atoms. In the third Ge site, Ge(3) is bonded in a 8-coordinate geometry to one Sc(1), six equivalent Mn(1), and one Ge(3) atom. In the fourth Ge site, Ge(4) is bonded in a 8-coordinate geometry to one Sc(1), six equivalent Mn(2), and one Ge(4) atom. In the fifth Ge site, Ge(5) is bonded in a 6-coordinate geometry to six equivalent Mn(2) atoms. In the sixth Ge site, Ge(6) is bonded in a 6-coordinate geometry to six equivalent Mn(1) and three equivalent Ga(1) atoms. In the seventh Ge site, Ge(7) is bonded in a 6-coordinate geometry to six equivalent Mn(2) atoms. is represented by the CIF card [CIF]
data_Sc2Mn12GaGe11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.103
_cell_length_b   5.103
_cell_length_c   16.279
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   367.125
_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
  Sc  Sc0  1  0.667  0.333  0.750  1.0
  Sc  Sc1  1  0.667  0.333  0.250  1.0
  Mn  Mn2  1  0.167  0.335  0.627  1.0
  Mn  Mn3  1  0.167  0.333  0.124  1.0
  Mn  Mn4  1  0.665  0.833  0.627  1.0
  Mn  Mn5  1  0.667  0.833  0.124  1.0
  Mn  Mn6  1  0.167  0.833  0.627  1.0
  Mn  Mn7  1  0.167  0.833  0.124  1.0
  Mn  Mn8  1  0.167  0.335  0.373  1.0
  Mn  Mn9  1  0.167  0.333  0.876  1.0
  Mn  Mn10  1  0.665  0.833  0.373  1.0
  Mn  Mn11  1  0.667  0.833  0.876  1.0
  Mn  Mn12  1  0.167  0.833  0.373  1.0
  Mn  Mn13  1  0.167  0.833  0.876  1.0
  Ga  Ga14  1  0.000  0.000  0.500  1.0
  Ge  Ge15  1  1.000  1.000  0.249  1.0
  Ge  Ge16  1  1.000  1.000  0.751  1.0
  Ge  Ge17  1  0.333  0.667  0.751  1.0
  Ge  Ge18  1  0.333  0.667  0.249  1.0
  Ge  Ge19  1  0.667  0.333  0.581  1.0
  Ge  Ge20  1  0.667  0.333  0.081  1.0
  Ge  Ge21  1  0.667  0.333  0.419  1.0
  Ge  Ge22  1  0.667  0.333  0.919  1.0
  Ge  Ge23  1  1.000  1.000  0.000  1.0
  Ge  Ge24  1  0.333  0.667  0.500  1.0
  Ge  Ge25  1  0.333  0.667  0.000  1.0
[/CIF]
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