The crystal structure described by CaFe(GeO3)2 is Esseneite structured and crystallizes in the triclinic P-1 space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 8-coordinate geometry to one O(10), one O(12), one O(5), one O(7), two equivalent O(1), and two equivalent O(3) atoms. In the second Ca site, Ca(2) is bonded in a 8-coordinate geometry to one O(11), one O(6), one O(8), one O(9), two equivalent O(2), and two equivalent O(4) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(6), one O(8), two equivalent O(11), and two equivalent O(9) atoms to form FeO6 octahedra that share  a cornercorner with one Ge(2)O4 tetrahedra,  a cornercorner with one Ge(4)O4 tetrahedra, corners with two equivalent Ge(1)O4 tetrahedra, corners with two equivalent Ge(3)O4 tetrahedra, and edges with two equivalent Fe(1)O6 octahedra. In the second Fe site, Fe(2) is bonded to one O(5), one O(7), two equivalent O(10), and two equivalent O(12) atoms to form FeO6 octahedra that share  a cornercorner with one Ge(1)O4 tetrahedra,  a cornercorner with one Ge(3)O4 tetrahedra, corners with two equivalent Ge(2)O4 tetrahedra, corners with two equivalent Ge(4)O4 tetrahedra, and edges with two equivalent Fe(2)O6 octahedra. There are four inequivalent Ge sites. In the first Ge site, Ge(1) is bonded to one O(1), one O(3), one O(7), and one O(9) atom to form GeO4 tetrahedra that share  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, and corners with two equivalent Ge(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 42-59°. In the second Ge site, Ge(2) is bonded to one O(10), one O(2), one O(4), and one O(8) atom to form GeO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, and corners with two equivalent Ge(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 42-59°. In the third Ge site, Ge(3) is bonded to one O(1), one O(11), one O(3), and one O(5) atom to form GeO4 tetrahedra that share  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, and corners with two equivalent Ge(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 43-59°. In the fourth Ge site, Ge(4) is bonded to one O(12), one O(2), one O(4), and one O(6) atom to form GeO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, and corners with two equivalent Ge(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 42-59°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Ca(1), one Ge(1), and one Ge(3) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Ca(2), one Ge(2), and one Ge(4) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Ca(1), one Ge(1), and one Ge(3) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent Ca(2), one Ge(2), and one Ge(4) atom. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Ca(1), one Fe(2), and one Ge(3) atom. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Ca(2), one Fe(1), and one Ge(4) atom. In the seventh O site, O(7) is bonded in a distorted trigonal non-coplanar geometry to one Ca(1), one Fe(2), and one Ge(1) atom. In the eighth O site, O(8) is bonded in a distorted trigonal non-coplanar geometry to one Ca(2), one Fe(1), and one Ge(2) atom. In the ninth O site, O(9) is bonded to one Ca(2), two equivalent Fe(1), and one Ge(1) atom to form a mixture of distorted corner and edge-sharing OCaFe2Ge trigonal pyramids. In the tenth O site, O(10) is bonded to one Ca(1), two equivalent Fe(2), and one Ge(2) atom to form a mixture of distorted corner and edge-sharing OCaFe2Ge trigonal pyramids. In the eleventh O site, O(11) is bonded to one Ca(2), two equivalent Fe(1), and one Ge(3) atom to form a mixture of distorted corner and edge-sharing OCaFe2Ge tetrahedra. In the twelfth O site, O(12) is bonded to one Ca(1), two equivalent Fe(2), and one Ge(4) atom to form a mixture of distorted corner and edge-sharing OCaFe2Ge tetrahedra. is represented by the CIF card [CIF]
data_CaFe(GeO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.514
_cell_length_b   6.843
_cell_length_c   6.971
_cell_angle_alpha   83.150
_cell_angle_beta   79.396
_cell_angle_gamma   79.607
_symmetry_Int_Tables_number   1
_cell_volume   253.272
_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
  Ca  Ca0  1  0.751  0.304  0.697  1.0
  Ca  Ca1  1  0.248  0.697  0.303  1.0
  Fe  Fe2  1  0.749  0.909  0.091  1.0
  Fe  Fe3  1  0.251  0.091  0.909  1.0
  Ge  Ge4  1  0.773  0.383  0.190  1.0
  Ge  Ge5  1  0.728  0.814  0.615  1.0
  Ge  Ge6  1  0.227  0.617  0.810  1.0
  Ge  Ge7  1  0.272  0.186  0.385  1.0
  O  O8  1  0.522  0.326  0.391  1.0
  O  O9  1  0.975  0.608  0.677  1.0
  O  O10  1  0.477  0.674  0.609  1.0
  O  O11  1  0.024  0.392  0.323  1.0
  O  O12  1  0.149  0.110  0.623  1.0
  O  O13  1  0.345  0.374  0.890  1.0
  O  O14  1  0.851  0.890  0.377  1.0
  O  O15  1  0.655  0.626  0.110  1.0
  O  O16  1  0.856  0.203  0.020  1.0
  O  O17  1  0.639  0.983  0.794  1.0
  O  O18  1  0.144  0.797  0.980  1.0
  O  O19  1  0.361  0.017  0.206  1.0
[/CIF]
.
The crystal structure described by CaFe(GeO3)2 is Esseneite structured and crystallizes in the triclinic P-1 space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 8-coordinate geometry to one O(10), one O(12), one O(5), one O(7), two equivalent O(1), and two equivalent O(3) atoms. In the second Ca site, Ca(2) is bonded in a 8-coordinate geometry to one O(11), one O(6), one O(8), one O(9), two equivalent O(2), and two equivalent O(4) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(6), one O(8), two equivalent O(11), and two equivalent O(9) atoms to form FeO6 octahedra that share  a cornercorner with one Ge(2)O4 tetrahedra,  a cornercorner with one Ge(4)O4 tetrahedra, corners with two equivalent Ge(1)O4 tetrahedra, corners with two equivalent Ge(3)O4 tetrahedra, and edges with two equivalent Fe(1)O6 octahedra. In the second Fe site, Fe(2) is bonded to one O(5), one O(7), two equivalent O(10), and two equivalent O(12) atoms to form FeO6 octahedra that share  a cornercorner with one Ge(1)O4 tetrahedra,  a cornercorner with one Ge(3)O4 tetrahedra, corners with two equivalent Ge(2)O4 tetrahedra, corners with two equivalent Ge(4)O4 tetrahedra, and edges with two equivalent Fe(2)O6 octahedra. There are four inequivalent Ge sites. In the first Ge site, Ge(1) is bonded to one O(1), one O(3), one O(7), and one O(9) atom to form GeO4 tetrahedra that share  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, and corners with two equivalent Ge(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 42-59°. In the second Ge site, Ge(2) is bonded to one O(10), one O(2), one O(4), and one O(8) atom to form GeO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, and corners with two equivalent Ge(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 42-59°. In the third Ge site, Ge(3) is bonded to one O(1), one O(11), one O(3), and one O(5) atom to form GeO4 tetrahedra that share  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, and corners with two equivalent Ge(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 43-59°. In the fourth Ge site, Ge(4) is bonded to one O(12), one O(2), one O(4), and one O(6) atom to form GeO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, and corners with two equivalent Ge(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 42-59°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Ca(1), one Ge(1), and one Ge(3) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Ca(2), one Ge(2), and one Ge(4) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Ca(1), one Ge(1), and one Ge(3) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent Ca(2), one Ge(2), and one Ge(4) atom. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Ca(1), one Fe(2), and one Ge(3) atom. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Ca(2), one Fe(1), and one Ge(4) atom. In the seventh O site, O(7) is bonded in a distorted trigonal non-coplanar geometry to one Ca(1), one Fe(2), and one Ge(1) atom. In the eighth O site, O(8) is bonded in a distorted trigonal non-coplanar geometry to one Ca(2), one Fe(1), and one Ge(2) atom. In the ninth O site, O(9) is bonded to one Ca(2), two equivalent Fe(1), and one Ge(1) atom to form a mixture of distorted corner and edge-sharing OCaFe2Ge trigonal pyramids. In the tenth O site, O(10) is bonded to one Ca(1), two equivalent Fe(2), and one Ge(2) atom to form a mixture of distorted corner and edge-sharing OCaFe2Ge trigonal pyramids. In the eleventh O site, O(11) is bonded to one Ca(2), two equivalent Fe(1), and one Ge(3) atom to form a mixture of distorted corner and edge-sharing OCaFe2Ge tetrahedra. In the twelfth O site, O(12) is bonded to one Ca(1), two equivalent Fe(2), and one Ge(4) atom to form a mixture of distorted corner and edge-sharing OCaFe2Ge tetrahedra. is represented by the CIF card [CIF]
data_CaFe(GeO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.514
_cell_length_b   6.843
_cell_length_c   6.971
_cell_angle_alpha   83.150
_cell_angle_beta   79.396
_cell_angle_gamma   79.607
_symmetry_Int_Tables_number   1
_cell_volume   253.272
_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
  Ca  Ca0  1  0.751  0.304  0.697  1.0
  Ca  Ca1  1  0.248  0.697  0.303  1.0
  Fe  Fe2  1  0.749  0.909  0.091  1.0
  Fe  Fe3  1  0.251  0.091  0.909  1.0
  Ge  Ge4  1  0.773  0.383  0.190  1.0
  Ge  Ge5  1  0.728  0.814  0.615  1.0
  Ge  Ge6  1  0.227  0.617  0.810  1.0
  Ge  Ge7  1  0.272  0.186  0.385  1.0
  O  O8  1  0.522  0.326  0.391  1.0
  O  O9  1  0.975  0.608  0.677  1.0
  O  O10  1  0.477  0.674  0.609  1.0
  O  O11  1  0.024  0.392  0.323  1.0
  O  O12  1  0.149  0.110  0.623  1.0
  O  O13  1  0.345  0.374  0.890  1.0
  O  O14  1  0.851  0.890  0.377  1.0
  O  O15  1  0.655  0.626  0.110  1.0
  O  O16  1  0.856  0.203  0.020  1.0
  O  O17  1  0.639  0.983  0.794  1.0
  O  O18  1  0.144  0.797  0.980  1.0
  O  O19  1  0.361  0.017  0.206  1.0
[/CIF]
.