data_MgFe(GeO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.92
_cell_length_b   9.18
_cell_length_c   5.47
_cell_angle_alpha   90.0
_cell_angle_beta   104.44
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgFe(GeO3)2
_chemical_formula_sum   'Mg4 Fe4 Ge8 O24'
_cell_volume   481.87
_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
  Mg  Mg0  1  0.8  0.7  0.37  1.0
  Mg  Mg1  1  0.44  0.11  0.28  1.0
  Mg  Mg2  1  0.76  0.48  0.92  1.0
  Mg  Mg3  1  0.12  0.06  0.01  1.0
  Fe  Fe4  1  0.14  0.16  0.06  1.0
  Fe  Fe5  1  0.74  0.75  0.88  1.0
  Fe  Fe6  1  0.42  0.01  0.24  1.0
  Fe  Fe7  1  0.82  0.42  0.41  1.0
  Ge  Ge8  1  0.42  0.07  0.35  1.0
  Ge  Ge9  1  0.45  0.48  0.59  1.0
  Ge  Ge10  1  0.13  0.11  0.94  1.0
  Ge  Ge11  1  0.11  0.69  0.71  1.0
  Ge  Ge12  1  0.2  0.02  0.32  1.0
  Ge  Ge13  1  0.04  0.43  0.32  1.0
  Ge  Ge14  1  0.36  0.15  0.97  1.0
  Ge  Ge15  1  0.52  0.74  0.97  1.0
  O  O16  1  0.15  0.51  0.72  1.0
  O  O17  1  0.73  0.92  0.22  1.0
  O  O18  1  0.41  0.67  0.57  1.0
  O  O19  1  0.83  0.25  0.08  1.0
  O  O20  1  0.86  0.23  0.89  1.0
  O  O21  1  0.39  0.64  0.76  1.0
  O  O22  1  0.7  0.94  0.41  1.0
  O  O23  1  0.17  0.53  0.53  1.0
  O  O24  1  0.69  0.07  0.69  1.0
  O  O25  1  0.19  0.65  0.25  1.0
  O  O26  1  0.87  0.11  0.6  1.0
  O  O27  1  0.37  0.52  0.04  1.0
  O  O28  1  0.09  0.01  0.19  1.0
  O  O29  1  0.15  0.43  0.46  1.0
  O  O30  1  0.47  0.16  0.11  1.0
  O  O31  1  0.4  0.75  0.83  1.0
  O  O32  1  0.62  0.07  0.96  1.0
  O  O33  1  0.26  0.48  0.98  1.0
  O  O34  1  0.94  0.11  0.33  1.0
  O  O35  1  0.3  0.7  0.32  1.0
  O  O36  1  0.9  0.99  0.74  1.0
  O  O37  1  0.34  0.41  0.91  1.0
  O  O38  1  0.66  0.18  0.56  1.0
  O  O39  1  0.21  0.77  0.38  1.0

data_MgFe(GeO3)2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.47
_cell_length_b   9.18
_cell_length_c   9.92
_cell_angle_alpha   90.0
_cell_angle_beta   104.44
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   MgFe(GeO3)2
_chemical_formula_sum   'Mg4 Fe4 Ge8 O24'
_cell_volume   481.87
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  Mg  Mg0  2  0.28  0.89  0.98  1.0
  Mg  Mg1  2  0.37  0.48  0.34  1.0
  Fe  Fe2  2  0.24  0.16  0.96  1.0
  Fe  Fe3  2  0.41  0.58  0.36  1.0
  Ge  Ge4  2  0.06  0.11  0.33  1.0
  Ge  Ge5  2  0.29  0.52  0.35  1.0
  Ge  Ge6  2  0.32  0.57  0.58  1.0
  Ge  Ge7  2  0.32  0.15  0.74  1.0
  O  O8  2  0.04  0.48  0.91  1.0
  O  O9  2  0.08  0.92  0.37  1.0
  O  O10  2  0.09  0.41  0.12  1.0
  O  O11  2  0.11  0.06  0.61  1.0
  O  O12  2  0.19  0.16  0.62  1.0
  O  O13  2  0.24  0.64  0.08  1.0
  O  O14  2  0.26  0.82  0.56  1.0
  O  O15  2  0.32  0.48  0.84  1.0
  O  O16  2  0.33  0.89  0.48  1.0
  O  O17  2  0.4  0.93  0.59  1.0
  O  O18  2  0.43  0.67  0.05  1.0
  O  O19  2  0.46  0.57  0.69  1.0

Mg Mg Mg Mg Fe Fe Fe Fe Ge Ge Ge Ge Ge Ge Ge Ge O O O O O O O O O O O O O O O O O O O O O O O O
MgFe(GeO3)2 crystallizes in the triclinic P-1 space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 1-coordinate geometry to three equivalent Fe(2) and one O(2) atom. There are a spread of Mg(1)-Fe(2) bond distances ranging from 2.56-3.05 Å. The Mg(1)-O(2) bond length is 2.23 Å. In the second Mg site, Mg(2) is bonded in a 3-coordinate geometry to one Fe(1), one Ge(1), one O(11), and one O(7) atom. The Mg(2)-Fe(1) bond length is 0.98 Å. The Mg(2)-Ge(1) bond length is 0.63 Å. The Mg(2)-O(11) bond length is 2.41 Å. The Mg(2)-O(7) bond length is 1.14 Å. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 2-coordinate geometry to one Mg(2) and one Ge(1) atom. The Fe(1)-Ge(1) bond length is 0.82 Å. In the second Fe site, Fe(2) is bonded in a 5-coordinate geometry to three equivalent Mg(1), one Ge(4), and one O(2) atom. The Fe(2)-Ge(4) bond length is 2.35 Å. The Fe(2)-O(2) bond length is 2.41 Å. There are four inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a distorted L-shaped geometry to one Mg(2) and one Fe(1) atom. In the second Ge site, Ge(2) is bonded in a 3-coordinate geometry to one O(1), one O(12), and one O(4) atom. The Ge(2)-O(1) bond length is 1.73 Å. The Ge(2)-O(12) bond length is 2.38 Å. The Ge(2)-O(4) bond length is 1.97 Å. In the third Ge site, Ge(3) is bonded in a single-bond geometry to one O(12) and one O(7) atom. The Ge(3)-O(12) bond length is 2.33 Å. The Ge(3)-O(7) bond length is 1.18 Å. In the fourth Ge site, Ge(4) is bonded in a single-bond geometry to one Fe(2), one O(4), one O(6), and one O(8) atom. The Ge(4)-O(4) bond length is 1.76 Å. The Ge(4)-O(6) bond length is 2.57 Å. The Ge(4)-O(8) bond length is 1.18 Å. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Ge(2), one O(10), and one O(4) atom. The O(1)-O(10) bond length is 1.56 Å. The O(1)-O(4) bond length is 1.16 Å. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Mg(1), one Fe(2), one O(3), and one O(9) atom. The O(2)-O(3) bond length is 1.16 Å. The O(2)-O(9) bond length is 2.02 Å. In the third O site, O(3) is bonded in a 1-coordinate geometry to one O(2) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Ge(2), one Ge(4), one O(1), one O(6), and one O(8) atom. The O(4)-O(6) bond length is 1.93 Å. The O(4)-O(8) bond length is 1.05 Å. In the fifth O site, O(5) is bonded in a 1-coordinate geometry to one O(11) and one O(9) atom. The O(5)-O(11) bond length is 1.27 Å. The O(5)-O(9) bond length is 1.80 Å. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Ge(4), one O(10), one O(12), and one O(4) atom. The O(6)-O(10) bond length is 1.20 Å. The O(6)-O(12) bond length is 1.27 Å. In the seventh O site, O(7) is bonded in an L-shaped geometry to one Mg(2), one Ge(3), and one O(9) atom. The O(7)-O(9) bond length is 2.03 Å. In the eighth O site, O(8) is bonded in a distorted water-like geometry to one Ge(4) and one O(4) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one O(2), one O(5), and one O(7) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one O(1), one O(12), and one O(6) atom. The O(10)-O(12) bond length is 1.23 Å. In the eleventh O site, O(11) is bonded in a water-like geometry to one Mg(2) and one O(5) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Ge(2), one Ge(3), one O(10), and one O(6) atom.