The material structure described by CaFe(GeO3)2 crystallizes in the monoclinic P2_1/c space group. Ca(1) is bonded in a 7-coordinate geometry to one O(2), one O(3), one O(4), one O(5), one O(6), and two equivalent O(1) atoms. Fe(1) is bonded to one O(3), one O(4), two equivalent O(5), and two equivalent O(6) atoms to form FeO6 octahedra that share corners with three equivalent Ge(1)O4 tetrahedra, corners with two equivalent Ge(2)O5 trigonal bipyramids, edges with two equivalent Fe(1)O6 octahedra, and  an edgeedge with one Ge(2)O5 trigonal bipyramid. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded to one O(4), one O(5), and two equivalent O(2) atoms to form GeO4 tetrahedra that share corners with three equivalent Fe(1)O6 octahedra and corners with two equivalent Ge(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 45-63°. In the second Ge site, Ge(2) is bonded to one O(6), two equivalent O(1), and two equivalent O(3) atoms to form GeO5 trigonal bipyramids that share corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Ge(2)O5 trigonal bipyramids,  an edgeedge with one Fe(1)O6 octahedra, and  an edgeedge with one Ge(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 42-43°. There are six inequivalent O sites. In the first O site, O(5) is bonded in a rectangular see-saw-like geometry to one Ca(1), two equivalent Fe(1), and one Ge(1) atom. In the second O site, O(6) is bonded to one Ca(1), two equivalent Fe(1), and one Ge(2) atom to form distorted OCaFe2Ge trigonal pyramids that share corners with four equivalent O(1)Ca2Ge2 tetrahedra and corners with two equivalent O(6)CaFe2Ge trigonal pyramids. In the third O site, O(1) is bonded to two equivalent Ca(1) and two equivalent Ge(2) atoms to form distorted OCa2Ge2 tetrahedra that share corners with four equivalent O(6)CaFe2Ge trigonal pyramids and edges with two equivalent O(1)Ca2Ge2 tetrahedra. In the fourth O site, O(2) is bonded in a trigonal planar geometry to one Ca(1) and two equivalent Ge(1) atoms. In the fifth O site, O(3) is bonded in a distorted see-saw-like geometry to one Ca(1), one Fe(1), and two equivalent Ge(2) atoms. In the sixth O site, O(4) is bonded in a distorted trigonal planar geometry to one Ca(1), one Fe(1), and one Ge(1) atom. is represented by the CIF card [CIF]
data_CaFe(GeO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.264
_cell_length_b   5.364
_cell_length_c   10.417
_cell_angle_alpha   75.278
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   500.602
_cell_formula_units_Z   4
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  0.453  0.529  0.274  1.0
  Ca  Ca1  1  0.953  0.971  0.726  1.0
  Ca  Ca2  1  0.547  0.471  0.726  1.0
  Ca  Ca3  1  0.047  0.029  0.274  1.0
  Fe  Fe4  1  0.661  0.031  0.236  1.0
  Fe  Fe5  1  0.161  0.469  0.764  1.0
  Fe  Fe6  1  0.339  0.969  0.764  1.0
  Fe  Fe7  1  0.839  0.531  0.236  1.0
  Ge  Ge8  1  0.346  0.170  0.044  1.0
  Ge  Ge9  1  0.846  0.330  0.956  1.0
  Ge  Ge10  1  0.654  0.830  0.956  1.0
  Ge  Ge11  1  0.154  0.670  0.044  1.0
  Ge  Ge12  1  0.351  0.903  0.485  1.0
  Ge  Ge13  1  0.851  0.597  0.515  1.0
  Ge  Ge14  1  0.649  0.097  0.515  1.0
  Ge  Ge15  1  0.149  0.403  0.485  1.0
  O  O16  1  0.246  0.687  0.395  1.0
  O  O17  1  0.746  0.813  0.605  1.0
  O  O18  1  0.754  0.313  0.605  1.0
  O  O19  1  0.254  0.187  0.395  1.0
  O  O20  1  0.308  0.826  0.100  1.0
  O  O21  1  0.808  0.674  0.900  1.0
  O  O22  1  0.692  0.174  0.900  1.0
  O  O23  1  0.192  0.326  0.100  1.0
  O  O24  1  0.977  0.348  0.419  1.0
  O  O25  1  0.477  0.152  0.581  1.0
  O  O26  1  0.023  0.652  0.581  1.0
  O  O27  1  0.523  0.848  0.419  1.0
  O  O28  1  0.013  0.735  0.139  1.0
  O  O29  1  0.513  0.765  0.861  1.0
  O  O30  1  0.987  0.265  0.861  1.0
  O  O31  1  0.487  0.235  0.139  1.0
  O  O32  1  0.352  0.258  0.870  1.0
  O  O33  1  0.852  0.242  0.130  1.0
  O  O34  1  0.648  0.742  0.130  1.0
  O  O35  1  0.148  0.758  0.870  1.0
  O  O36  1  0.328  0.702  0.648  1.0
  O  O37  1  0.828  0.798  0.352  1.0
  O  O38  1  0.672  0.298  0.352  1.0
  O  O39  1  0.172  0.202  0.648  1.0
[/CIF]
.
The material structure described by CaFe(GeO3)2 crystallizes in the monoclinic P2_1/c space group. Ca(1) is bonded in a 7-coordinate geometry to one O(2), one O(3), one O(4), one O(5), one O(6), and two equivalent O(1) atoms. Fe(1) is bonded to one O(3), one O(4), two equivalent O(5), and two equivalent O(6) atoms to form FeO6 octahedra that share corners with three equivalent Ge(1)O4 tetrahedra, corners with two equivalent Ge(2)O5 trigonal bipyramids, edges with two equivalent Fe(1)O6 octahedra, and  an edgeedge with one Ge(2)O5 trigonal bipyramid. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded to one O(4), one O(5), and two equivalent O(2) atoms to form GeO4 tetrahedra that share corners with three equivalent Fe(1)O6 octahedra and corners with two equivalent Ge(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 45-63°. In the second Ge site, Ge(2) is bonded to one O(6), two equivalent O(1), and two equivalent O(3) atoms to form GeO5 trigonal bipyramids that share corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Ge(2)O5 trigonal bipyramids,  an edgeedge with one Fe(1)O6 octahedra, and  an edgeedge with one Ge(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 42-43°. There are six inequivalent O sites. In the first O site, O(5) is bonded in a rectangular see-saw-like geometry to one Ca(1), two equivalent Fe(1), and one Ge(1) atom. In the second O site, O(6) is bonded to one Ca(1), two equivalent Fe(1), and one Ge(2) atom to form distorted OCaFe2Ge trigonal pyramids that share corners with four equivalent O(1)Ca2Ge2 tetrahedra and corners with two equivalent O(6)CaFe2Ge trigonal pyramids. In the third O site, O(1) is bonded to two equivalent Ca(1) and two equivalent Ge(2) atoms to form distorted OCa2Ge2 tetrahedra that share corners with four equivalent O(6)CaFe2Ge trigonal pyramids and edges with two equivalent O(1)Ca2Ge2 tetrahedra. In the fourth O site, O(2) is bonded in a trigonal planar geometry to one Ca(1) and two equivalent Ge(1) atoms. In the fifth O site, O(3) is bonded in a distorted see-saw-like geometry to one Ca(1), one Fe(1), and two equivalent Ge(2) atoms. In the sixth O site, O(4) is bonded in a distorted trigonal planar geometry to one Ca(1), one Fe(1), and one Ge(1) atom. is represented by the CIF card [CIF]
data_CaFe(GeO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.264
_cell_length_b   5.364
_cell_length_c   10.417
_cell_angle_alpha   75.278
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   500.602
_cell_formula_units_Z   4
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  0.453  0.529  0.274  1.0
  Ca  Ca1  1  0.953  0.971  0.726  1.0
  Ca  Ca2  1  0.547  0.471  0.726  1.0
  Ca  Ca3  1  0.047  0.029  0.274  1.0
  Fe  Fe4  1  0.661  0.031  0.236  1.0
  Fe  Fe5  1  0.161  0.469  0.764  1.0
  Fe  Fe6  1  0.339  0.969  0.764  1.0
  Fe  Fe7  1  0.839  0.531  0.236  1.0
  Ge  Ge8  1  0.346  0.170  0.044  1.0
  Ge  Ge9  1  0.846  0.330  0.956  1.0
  Ge  Ge10  1  0.654  0.830  0.956  1.0
  Ge  Ge11  1  0.154  0.670  0.044  1.0
  Ge  Ge12  1  0.351  0.903  0.485  1.0
  Ge  Ge13  1  0.851  0.597  0.515  1.0
  Ge  Ge14  1  0.649  0.097  0.515  1.0
  Ge  Ge15  1  0.149  0.403  0.485  1.0
  O  O16  1  0.246  0.687  0.395  1.0
  O  O17  1  0.746  0.813  0.605  1.0
  O  O18  1  0.754  0.313  0.605  1.0
  O  O19  1  0.254  0.187  0.395  1.0
  O  O20  1  0.308  0.826  0.100  1.0
  O  O21  1  0.808  0.674  0.900  1.0
  O  O22  1  0.692  0.174  0.900  1.0
  O  O23  1  0.192  0.326  0.100  1.0
  O  O24  1  0.977  0.348  0.419  1.0
  O  O25  1  0.477  0.152  0.581  1.0
  O  O26  1  0.023  0.652  0.581  1.0
  O  O27  1  0.523  0.848  0.419  1.0
  O  O28  1  0.013  0.735  0.139  1.0
  O  O29  1  0.513  0.765  0.861  1.0
  O  O30  1  0.987  0.265  0.861  1.0
  O  O31  1  0.487  0.235  0.139  1.0
  O  O32  1  0.352  0.258  0.870  1.0
  O  O33  1  0.852  0.242  0.130  1.0
  O  O34  1  0.648  0.742  0.130  1.0
  O  O35  1  0.148  0.758  0.870  1.0
  O  O36  1  0.328  0.702  0.648  1.0
  O  O37  1  0.828  0.798  0.352  1.0
  O  O38  1  0.672  0.298  0.352  1.0
  O  O39  1  0.172  0.202  0.648  1.0
[/CIF]
.