The material described by BaAlGeF is Parent of FeAs superconductors structured and crystallizes in the tetragonal P4/nmm space group. Ba(1) is bonded in a 4-coordinate geometry to four equivalent Ge(1) and four equivalent F(1) atoms. Al(1) is bonded to four equivalent Ge(1) atoms to form a mixture of edge and corner-sharing AlGe4 tetrahedra. Ge(1) is bonded in a 8-coordinate geometry to four equivalent Ba(1) and four equivalent Al(1) atoms. F(1) is bonded to four equivalent Ba(1) atoms to form a mixture of edge and corner-sharing FBa4 tetrahedra. is represented by the CIF file [CIF]
data_BaAlGeF
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.286
_cell_length_b   4.286
_cell_length_c   9.922
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   182.245
_cell_formula_units_Z   2
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  0.500  0.840  1.0
  Ba  Ba1  1  0.500  0.000  0.160  1.0
  Al  Al2  1  0.000  0.000  0.500  1.0
  Al  Al3  1  0.500  0.500  0.500  1.0
  Ge  Ge4  1  0.000  0.500  0.344  1.0
  Ge  Ge5  1  0.500  0.000  0.656  1.0
  F  F6  1  0.000  0.000  0.000  1.0
  F  F7  1  0.500  0.500  0.000  1.0
[/CIF]
.
The material described by BaAlGeF is Parent of FeAs superconductors structured and crystallizes in the tetragonal P4/nmm space group. Ba(1) is bonded in a 4-coordinate geometry to four equivalent Ge(1) and four equivalent F(1) atoms. Al(1) is bonded to four equivalent Ge(1) atoms to form a mixture of edge and corner-sharing AlGe4 tetrahedra. Ge(1) is bonded in a 8-coordinate geometry to four equivalent Ba(1) and four equivalent Al(1) atoms. F(1) is bonded to four equivalent Ba(1) atoms to form a mixture of edge and corner-sharing FBa4 tetrahedra. is represented by the CIF file [CIF]
data_BaAlGeF
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.286
_cell_length_b   4.286
_cell_length_c   9.922
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   182.245
_cell_formula_units_Z   2
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  0.500  0.840  1.0
  Ba  Ba1  1  0.500  0.000  0.160  1.0
  Al  Al2  1  0.000  0.000  0.500  1.0
  Al  Al3  1  0.500  0.500  0.500  1.0
  Ge  Ge4  1  0.000  0.500  0.344  1.0
  Ge  Ge5  1  0.500  0.000  0.656  1.0
  F  F6  1  0.000  0.000  0.000  1.0
  F  F7  1  0.500  0.500  0.000  1.0
[/CIF]
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