The structure described by CaFe(GeO3)4 crystallizes in the orthorhombic Amm2 space group. Ca(1) is bonded in a 10-coordinate geometry to two equivalent O(3), four equivalent O(1), and four equivalent O(5) atoms. Fe(1) is bonded in a 6-coordinate geometry to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. Ge(1) is bonded to one O(2), one O(3), one O(4), one O(5), and two equivalent O(1) atoms to form distorted corner-sharing GeO6 octahedra. The corner-sharing octahedral tilt angles range from 9-46°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Ca(1) and two equivalent Ge(1) atoms. In the second O site, O(2) is bonded in a trigonal planar geometry to one Fe(1) and two equivalent Ge(1) atoms. In the third O site, O(3) is bonded in a distorted square co-planar geometry to one Ca(1), one Fe(1), and two equivalent Ge(1) atoms. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Fe(1) and two equivalent Ge(1) atoms. In the fifth O site, O(5) is bonded in a distorted linear geometry to two equivalent Ca(1) and two equivalent Ge(1) atoms. is represented by the CIF file [CIF]
data_CaFe(GeO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.247
_cell_length_b   5.247
_cell_length_c   7.438
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   83.505
_symmetry_Int_Tables_number   1
_cell_volume   203.444
_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
  Ca  Ca0  1  0.562  0.438  0.500  1.0
  Fe  Fe1  1  0.931  0.069  0.000  1.0
  Ge  Ge2  1  0.470  0.977  0.245  1.0
  Ge  Ge3  1  0.470  0.977  0.755  1.0
  Ge  Ge4  1  0.023  0.530  0.755  1.0
  Ge  Ge5  1  0.023  0.530  0.245  1.0
  O  O6  1  0.322  0.311  0.260  1.0
  O  O7  1  0.689  0.678  0.260  1.0
  O  O8  1  0.689  0.678  0.740  1.0
  O  O9  1  0.322  0.311  0.740  1.0
  O  O10  1  0.162  0.838  0.186  1.0
  O  O11  1  0.810  0.190  0.261  1.0
  O  O12  1  0.810  0.190  0.739  1.0
  O  O13  1  0.162  0.838  0.814  1.0
  O  O14  1  0.571  0.004  0.000  1.0
  O  O15  1  0.452  0.957  0.500  1.0
  O  O16  1  0.996  0.429  0.000  1.0
  O  O17  1  0.043  0.548  0.500  1.0
[/CIF]
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The structure described by CaFe(GeO3)4 crystallizes in the orthorhombic Amm2 space group. Ca(1) is bonded in a 10-coordinate geometry to two equivalent O(3), four equivalent O(1), and four equivalent O(5) atoms. Fe(1) is bonded in a 6-coordinate geometry to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. Ge(1) is bonded to one O(2), one O(3), one O(4), one O(5), and two equivalent O(1) atoms to form distorted corner-sharing GeO6 octahedra. The corner-sharing octahedral tilt angles range from 9-46°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Ca(1) and two equivalent Ge(1) atoms. In the second O site, O(2) is bonded in a trigonal planar geometry to one Fe(1) and two equivalent Ge(1) atoms. In the third O site, O(3) is bonded in a distorted square co-planar geometry to one Ca(1), one Fe(1), and two equivalent Ge(1) atoms. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Fe(1) and two equivalent Ge(1) atoms. In the fifth O site, O(5) is bonded in a distorted linear geometry to two equivalent Ca(1) and two equivalent Ge(1) atoms. is represented by the CIF file [CIF]
data_CaFe(GeO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.247
_cell_length_b   5.247
_cell_length_c   7.438
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   83.505
_symmetry_Int_Tables_number   1
_cell_volume   203.444
_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
  Ca  Ca0  1  0.562  0.438  0.500  1.0
  Fe  Fe1  1  0.931  0.069  0.000  1.0
  Ge  Ge2  1  0.470  0.977  0.245  1.0
  Ge  Ge3  1  0.470  0.977  0.755  1.0
  Ge  Ge4  1  0.023  0.530  0.755  1.0
  Ge  Ge5  1  0.023  0.530  0.245  1.0
  O  O6  1  0.322  0.311  0.260  1.0
  O  O7  1  0.689  0.678  0.260  1.0
  O  O8  1  0.689  0.678  0.740  1.0
  O  O9  1  0.322  0.311  0.740  1.0
  O  O10  1  0.162  0.838  0.186  1.0
  O  O11  1  0.810  0.190  0.261  1.0
  O  O12  1  0.810  0.190  0.739  1.0
  O  O13  1  0.162  0.838  0.814  1.0
  O  O14  1  0.571  0.004  0.000  1.0
  O  O15  1  0.452  0.957  0.500  1.0
  O  O16  1  0.996  0.429  0.000  1.0
  O  O17  1  0.043  0.548  0.500  1.0
[/CIF]
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