The material described by Ba3Fe2Ge4O14 is Esseneite-like structured and crystallizes in the monoclinic C2 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms. In the second Ba site, Ba(2) is bonded in a 8-coordinate geometry to one O(2), one O(3), one O(5), one O(6), two equivalent O(4), and two equivalent O(7) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form FeO6 octahedra that share corners with two equivalent Fe(2)O4 tetrahedra and corners with four equivalent Ge(1)O4 tetrahedra. In the second Fe site, Fe(2) is bonded to two equivalent O(2) and two equivalent O(6) atoms to form FeO4 tetrahedra that share corners with two equivalent Fe(1)O6 octahedra and corners with two equivalent Ge(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 60°. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded to one O(1), one O(3), one O(5), and one O(7) atom to form GeO4 tetrahedra that share corners with two equivalent Fe(1)O6 octahedra and corners with two equivalent Ge(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-58°. In the second Ge site, Ge(2) is bonded to one O(4), one O(5), one O(6), and one O(7) atom to form GeO4 tetrahedra that share  a cornercorner with one Fe(2)O4 tetrahedra and corners with two equivalent Ge(1)O4 tetrahedra. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Ba(1), one Fe(1), and one Ge(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Ba(2), one Fe(1), and one Fe(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Ba(2), one Fe(1), and one Ge(1) atom. In the fourth O site, O(4) is bonded to one Ba(1), two equivalent Ba(2), and one Ge(2) atom to form distorted corner-sharing OBa3Ge tetrahedra. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to one Ba(1), one Ba(2), one Ge(1), and one Ge(2) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(2), one Fe(2), and one Ge(2) atom. In the seventh O site, O(7) is bonded in a 2-coordinate geometry to two equivalent Ba(2), one Ge(1), and one Ge(2) atom. is represented by the CIF file [CIF]
data_Ba3Fe2(Ge2O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.668
_cell_length_b   8.668
_cell_length_c   5.349
_cell_angle_alpha   89.308
_cell_angle_beta   89.308
_cell_angle_gamma   59.637
_symmetry_Int_Tables_number   1
_cell_volume   346.755
_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  0.575  0.425  0.000  1.0
  Ba  Ba1  1  0.418  0.996  0.004  1.0
  Ba  Ba2  1  0.004  0.582  0.996  1.0
  Fe  Fe3  1  0.003  0.997  0.000  1.0
  Fe  Fe4  1  0.236  0.764  0.500  1.0
  Ge  Ge5  1  0.755  0.998  0.494  1.0
  Ge  Ge6  1  0.002  0.245  0.506  1.0
  Ge  Ge7  1  0.334  0.332  0.508  1.0
  Ge  Ge8  1  0.668  0.666  0.492  1.0
  O  O9  1  0.884  0.222  0.758  1.0
  O  O10  1  0.216  0.904  0.775  1.0
  O  O11  1  0.893  0.892  0.749  1.0
  O  O12  1  0.108  0.107  0.251  1.0
  O  O13  1  0.096  0.784  0.225  1.0
  O  O14  1  0.778  0.116  0.242  1.0
  O  O15  1  0.334  0.329  0.186  1.0
  O  O16  1  0.671  0.666  0.814  1.0
  O  O17  1  0.845  0.461  0.354  1.0
  O  O18  1  0.471  0.701  0.343  1.0
  O  O19  1  0.707  0.835  0.350  1.0
  O  O20  1  0.165  0.293  0.650  1.0
  O  O21  1  0.299  0.529  0.657  1.0
  O  O22  1  0.539  0.155  0.646  1.0
[/CIF]
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The material described by Ba3Fe2Ge4O14 is Esseneite-like structured and crystallizes in the monoclinic C2 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms. In the second Ba site, Ba(2) is bonded in a 8-coordinate geometry to one O(2), one O(3), one O(5), one O(6), two equivalent O(4), and two equivalent O(7) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form FeO6 octahedra that share corners with two equivalent Fe(2)O4 tetrahedra and corners with four equivalent Ge(1)O4 tetrahedra. In the second Fe site, Fe(2) is bonded to two equivalent O(2) and two equivalent O(6) atoms to form FeO4 tetrahedra that share corners with two equivalent Fe(1)O6 octahedra and corners with two equivalent Ge(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 60°. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded to one O(1), one O(3), one O(5), and one O(7) atom to form GeO4 tetrahedra that share corners with two equivalent Fe(1)O6 octahedra and corners with two equivalent Ge(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-58°. In the second Ge site, Ge(2) is bonded to one O(4), one O(5), one O(6), and one O(7) atom to form GeO4 tetrahedra that share  a cornercorner with one Fe(2)O4 tetrahedra and corners with two equivalent Ge(1)O4 tetrahedra. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Ba(1), one Fe(1), and one Ge(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Ba(2), one Fe(1), and one Fe(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Ba(2), one Fe(1), and one Ge(1) atom. In the fourth O site, O(4) is bonded to one Ba(1), two equivalent Ba(2), and one Ge(2) atom to form distorted corner-sharing OBa3Ge tetrahedra. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to one Ba(1), one Ba(2), one Ge(1), and one Ge(2) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(2), one Fe(2), and one Ge(2) atom. In the seventh O site, O(7) is bonded in a 2-coordinate geometry to two equivalent Ba(2), one Ge(1), and one Ge(2) atom. is represented by the CIF file [CIF]
data_Ba3Fe2(Ge2O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.668
_cell_length_b   8.668
_cell_length_c   5.349
_cell_angle_alpha   89.308
_cell_angle_beta   89.308
_cell_angle_gamma   59.637
_symmetry_Int_Tables_number   1
_cell_volume   346.755
_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  0.575  0.425  0.000  1.0
  Ba  Ba1  1  0.418  0.996  0.004  1.0
  Ba  Ba2  1  0.004  0.582  0.996  1.0
  Fe  Fe3  1  0.003  0.997  0.000  1.0
  Fe  Fe4  1  0.236  0.764  0.500  1.0
  Ge  Ge5  1  0.755  0.998  0.494  1.0
  Ge  Ge6  1  0.002  0.245  0.506  1.0
  Ge  Ge7  1  0.334  0.332  0.508  1.0
  Ge  Ge8  1  0.668  0.666  0.492  1.0
  O  O9  1  0.884  0.222  0.758  1.0
  O  O10  1  0.216  0.904  0.775  1.0
  O  O11  1  0.893  0.892  0.749  1.0
  O  O12  1  0.108  0.107  0.251  1.0
  O  O13  1  0.096  0.784  0.225  1.0
  O  O14  1  0.778  0.116  0.242  1.0
  O  O15  1  0.334  0.329  0.186  1.0
  O  O16  1  0.671  0.666  0.814  1.0
  O  O17  1  0.845  0.461  0.354  1.0
  O  O18  1  0.471  0.701  0.343  1.0
  O  O19  1  0.707  0.835  0.350  1.0
  O  O20  1  0.165  0.293  0.650  1.0
  O  O21  1  0.299  0.529  0.657  1.0
  O  O22  1  0.539  0.155  0.646  1.0
[/CIF]
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