The crystal structure described by Ba3FeGe5O14 is Esseneite-like structured and crystallizes in the trigonal P3 space group. Ba(1) is bonded in a 8-coordinate geometry to one O(2), one O(3), one O(4), one O(5), two equivalent O(1), and two equivalent O(6) atoms. Fe(1) is bonded to three equivalent O(2) and three equivalent O(4) atoms to form FeO6 octahedra that share corners with six equivalent Ge(3)O4 tetrahedra. There are three inequivalent Ge sites. In the first Ge site, Ge(1) is bonded to one O(5) and three equivalent O(6) atoms to form corner-sharing GeO4 tetrahedra. In the second Ge site, Ge(2) is bonded to one O(3) and three equivalent O(1) atoms to form corner-sharing GeO4 tetrahedra. In the third Ge site, Ge(3) is bonded to one O(1), one O(2), one O(4), and one O(6) atom to form GeO4 tetrahedra that share corners with two equivalent Fe(1)O6 octahedra,  a cornercorner with one Ge(1)O4 tetrahedra, and  a cornercorner with one Ge(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 57°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to two equivalent Ba(1), one Ge(2), and one Ge(3) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Ba(1), one Fe(1), and one Ge(3) atom. In the third O site, O(3) is bonded to three equivalent Ba(1) and one Ge(2) atom to form distorted corner-sharing OBa3Ge tetrahedra. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Ba(1), one Fe(1), and one Ge(3) atom. In the fifth O site, O(5) is bonded to three equivalent Ba(1) and one Ge(1) atom to form distorted corner-sharing OBa3Ge tetrahedra. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to two equivalent Ba(1), one Ge(1), and one Ge(3) atom. is represented by the CIF card [CIF]
data_Ba3FeGe5O14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.406
_cell_length_b   8.608
_cell_length_c   8.608
_cell_angle_alpha   120.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   346.862
_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  0.181  0.667  0.918  1.0
  Ba  Ba1  1  0.181  0.252  0.333  1.0
  Ba  Ba2  1  0.181  0.082  0.748  1.0
  Fe  Fe3  1  0.180  0.667  0.333  1.0
  Ge  Ge4  1  0.676  0.000  0.000  1.0
  Ge  Ge5  1  0.686  0.333  0.667  1.0
  Ge  Ge6  1  0.681  0.914  0.334  1.0
  Ge  Ge7  1  0.681  0.419  0.086  1.0
  Ge  Ge8  1  0.681  0.666  0.581  1.0
  O  O9  1  0.833  0.506  0.638  1.0
  O  O10  1  0.833  0.132  0.494  1.0
  O  O11  1  0.833  0.362  0.868  1.0
  O  O12  1  0.431  0.895  0.449  1.0
  O  O13  1  0.431  0.554  0.105  1.0
  O  O14  1  0.431  0.551  0.446  1.0
  O  O15  1  0.368  0.333  0.667  1.0
  O  O16  1  0.930  0.779  0.217  1.0
  O  O17  1  0.930  0.438  0.221  1.0
  O  O18  1  0.930  0.783  0.562  1.0
  O  O19  1  0.995  0.000  0.000  1.0
  O  O20  1  0.529  0.972  0.173  1.0
  O  O21  1  0.529  0.201  0.028  1.0
  O  O22  1  0.529  0.827  0.799  1.0
[/CIF]
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The crystal structure described by Ba3FeGe5O14 is Esseneite-like structured and crystallizes in the trigonal P3 space group. Ba(1) is bonded in a 8-coordinate geometry to one O(2), one O(3), one O(4), one O(5), two equivalent O(1), and two equivalent O(6) atoms. Fe(1) is bonded to three equivalent O(2) and three equivalent O(4) atoms to form FeO6 octahedra that share corners with six equivalent Ge(3)O4 tetrahedra. There are three inequivalent Ge sites. In the first Ge site, Ge(1) is bonded to one O(5) and three equivalent O(6) atoms to form corner-sharing GeO4 tetrahedra. In the second Ge site, Ge(2) is bonded to one O(3) and three equivalent O(1) atoms to form corner-sharing GeO4 tetrahedra. In the third Ge site, Ge(3) is bonded to one O(1), one O(2), one O(4), and one O(6) atom to form GeO4 tetrahedra that share corners with two equivalent Fe(1)O6 octahedra,  a cornercorner with one Ge(1)O4 tetrahedra, and  a cornercorner with one Ge(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 57°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to two equivalent Ba(1), one Ge(2), and one Ge(3) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Ba(1), one Fe(1), and one Ge(3) atom. In the third O site, O(3) is bonded to three equivalent Ba(1) and one Ge(2) atom to form distorted corner-sharing OBa3Ge tetrahedra. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Ba(1), one Fe(1), and one Ge(3) atom. In the fifth O site, O(5) is bonded to three equivalent Ba(1) and one Ge(1) atom to form distorted corner-sharing OBa3Ge tetrahedra. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to two equivalent Ba(1), one Ge(1), and one Ge(3) atom. is represented by the CIF card [CIF]
data_Ba3FeGe5O14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.406
_cell_length_b   8.608
_cell_length_c   8.608
_cell_angle_alpha   120.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   346.862
_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  0.181  0.667  0.918  1.0
  Ba  Ba1  1  0.181  0.252  0.333  1.0
  Ba  Ba2  1  0.181  0.082  0.748  1.0
  Fe  Fe3  1  0.180  0.667  0.333  1.0
  Ge  Ge4  1  0.676  0.000  0.000  1.0
  Ge  Ge5  1  0.686  0.333  0.667  1.0
  Ge  Ge6  1  0.681  0.914  0.334  1.0
  Ge  Ge7  1  0.681  0.419  0.086  1.0
  Ge  Ge8  1  0.681  0.666  0.581  1.0
  O  O9  1  0.833  0.506  0.638  1.0
  O  O10  1  0.833  0.132  0.494  1.0
  O  O11  1  0.833  0.362  0.868  1.0
  O  O12  1  0.431  0.895  0.449  1.0
  O  O13  1  0.431  0.554  0.105  1.0
  O  O14  1  0.431  0.551  0.446  1.0
  O  O15  1  0.368  0.333  0.667  1.0
  O  O16  1  0.930  0.779  0.217  1.0
  O  O17  1  0.930  0.438  0.221  1.0
  O  O18  1  0.930  0.783  0.562  1.0
  O  O19  1  0.995  0.000  0.000  1.0
  O  O20  1  0.529  0.972  0.173  1.0
  O  O21  1  0.529  0.201  0.028  1.0
  O  O22  1  0.529  0.827  0.799  1.0
[/CIF]
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