The material described by BaMg4Ge3 crystallizes in the tetragonal P4/mmm space group. Ba(1) is bonded in a 16-coordinate geometry to eight equivalent Mg(1) and eight equivalent Ge(2) atoms. Mg(1) is bonded to two equivalent Ba(1), two equivalent Ge(1), and two equivalent Ge(2) atoms to form a mixture of edge, corner, and face-sharing MgBa2Ge4 tetrahedra. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a body-centered cubic geometry to eight equivalent Mg(1) atoms. In the second Ge site, Ge(2) is bonded in a 9-coordinate geometry to four equivalent Ba(1), four equivalent Mg(1), and one Ge(2) atom. is represented by the CIF card [CIF]
data_BaMg4Ge3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.635
_cell_length_b   4.635
_cell_length_c   8.729
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   187.555
_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
  Ba  Ba0  1  0.000  0.000  0.000  1.0
  Mg  Mg1  1  0.500  0.000  0.681  1.0
  Mg  Mg2  1  0.000  0.500  0.681  1.0
  Mg  Mg3  1  0.500  0.000  0.319  1.0
  Mg  Mg4  1  0.000  0.500  0.319  1.0
  Ge  Ge5  1  0.000  0.000  0.500  1.0
  Ge  Ge6  1  0.500  0.500  0.852  1.0
  Ge  Ge7  1  0.500  0.500  0.148  1.0
[/CIF]
.
The material described by BaMg4Ge3 crystallizes in the tetragonal P4/mmm space group. Ba(1) is bonded in a 16-coordinate geometry to eight equivalent Mg(1) and eight equivalent Ge(2) atoms. Mg(1) is bonded to two equivalent Ba(1), two equivalent Ge(1), and two equivalent Ge(2) atoms to form a mixture of edge, corner, and face-sharing MgBa2Ge4 tetrahedra. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a body-centered cubic geometry to eight equivalent Mg(1) atoms. In the second Ge site, Ge(2) is bonded in a 9-coordinate geometry to four equivalent Ba(1), four equivalent Mg(1), and one Ge(2) atom. is represented by the CIF card [CIF]
data_BaMg4Ge3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.635
_cell_length_b   4.635
_cell_length_c   8.729
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   187.555
_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
  Ba  Ba0  1  0.000  0.000  0.000  1.0
  Mg  Mg1  1  0.500  0.000  0.681  1.0
  Mg  Mg2  1  0.000  0.500  0.681  1.0
  Mg  Mg3  1  0.500  0.000  0.319  1.0
  Mg  Mg4  1  0.000  0.500  0.319  1.0
  Ge  Ge5  1  0.000  0.000  0.500  1.0
  Ge  Ge6  1  0.500  0.500  0.852  1.0
  Ge  Ge7  1  0.500  0.500  0.148  1.0
[/CIF]
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