The material described by GdMnGe2O7 crystallizes in the orthorhombic C222 space group. There are two inequivalent Gd sites. In the first Gd site, Gd(1) is bonded in a 8-coordinate geometry to four equivalent O(3) and four equivalent O(4) atoms. In the second Gd site, Gd(2) is bonded in a 8-coordinate geometry to four equivalent O(2) and four equivalent O(3) atoms. Mn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form distorted MnO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra and corners with eight equivalent Ge(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 74°. Ge(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form GeO4 tetrahedra that share corners with four equivalent Mn(1)O6 octahedra and  a cornercorner with one Ge(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-71°. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Mn(1) and two equivalent Ge(1) atoms to form corner-sharing OMn2Ge2 tetrahedra. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Gd(2), one Mn(1), and one Ge(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Gd(1), one Gd(2), and one Ge(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Gd(1), one Mn(1), and one Ge(1) atom. is represented by the CIF card [CIF]
data_GdMnGe2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.813
_cell_length_b   7.911
_cell_length_c   7.911
_cell_angle_alpha   119.465
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   262.267
_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
  Gd  Gd0  1  0.000  0.000  0.000  1.0
  Gd  Gd1  1  0.000  0.500  0.500  1.0
  Mn  Mn2  1  0.000  0.750  0.250  1.0
  Mn  Mn3  1  0.000  0.250  0.750  1.0
  Ge  Ge4  1  0.480  0.114  0.387  1.0
  Ge  Ge5  1  0.480  0.886  0.613  1.0
  Ge  Ge6  1  0.520  0.613  0.886  1.0
  Ge  Ge7  1  0.520  0.387  0.114  1.0
  O  O8  1  0.685  0.000  0.500  1.0
  O  O9  1  0.315  0.500  0.000  1.0
  O  O10  1  0.243  0.279  0.568  1.0
  O  O11  1  0.243  0.721  0.432  1.0
  O  O12  1  0.757  0.432  0.721  1.0
  O  O13  1  0.757  0.568  0.279  1.0
  O  O14  1  0.740  0.797  0.704  1.0
  O  O15  1  0.740  0.203  0.296  1.0
  O  O16  1  0.260  0.296  0.203  1.0
  O  O17  1  0.260  0.704  0.797  1.0
  O  O18  1  0.242  0.067  0.777  1.0
  O  O19  1  0.242  0.933  0.223  1.0
  O  O20  1  0.758  0.223  0.933  1.0
  O  O21  1  0.758  0.777  0.067  1.0
[/CIF]
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The material described by GdMnGe2O7 crystallizes in the orthorhombic C222 space group. There are two inequivalent Gd sites. In the first Gd site, Gd(1) is bonded in a 8-coordinate geometry to four equivalent O(3) and four equivalent O(4) atoms. In the second Gd site, Gd(2) is bonded in a 8-coordinate geometry to four equivalent O(2) and four equivalent O(3) atoms. Mn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form distorted MnO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra and corners with eight equivalent Ge(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 74°. Ge(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form GeO4 tetrahedra that share corners with four equivalent Mn(1)O6 octahedra and  a cornercorner with one Ge(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-71°. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Mn(1) and two equivalent Ge(1) atoms to form corner-sharing OMn2Ge2 tetrahedra. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Gd(2), one Mn(1), and one Ge(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Gd(1), one Gd(2), and one Ge(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Gd(1), one Mn(1), and one Ge(1) atom. is represented by the CIF card [CIF]
data_GdMnGe2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.813
_cell_length_b   7.911
_cell_length_c   7.911
_cell_angle_alpha   119.465
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   262.267
_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
  Gd  Gd0  1  0.000  0.000  0.000  1.0
  Gd  Gd1  1  0.000  0.500  0.500  1.0
  Mn  Mn2  1  0.000  0.750  0.250  1.0
  Mn  Mn3  1  0.000  0.250  0.750  1.0
  Ge  Ge4  1  0.480  0.114  0.387  1.0
  Ge  Ge5  1  0.480  0.886  0.613  1.0
  Ge  Ge6  1  0.520  0.613  0.886  1.0
  Ge  Ge7  1  0.520  0.387  0.114  1.0
  O  O8  1  0.685  0.000  0.500  1.0
  O  O9  1  0.315  0.500  0.000  1.0
  O  O10  1  0.243  0.279  0.568  1.0
  O  O11  1  0.243  0.721  0.432  1.0
  O  O12  1  0.757  0.432  0.721  1.0
  O  O13  1  0.757  0.568  0.279  1.0
  O  O14  1  0.740  0.797  0.704  1.0
  O  O15  1  0.740  0.203  0.296  1.0
  O  O16  1  0.260  0.296  0.203  1.0
  O  O17  1  0.260  0.704  0.797  1.0
  O  O18  1  0.242  0.067  0.777  1.0
  O  O19  1  0.242  0.933  0.223  1.0
  O  O20  1  0.758  0.223  0.933  1.0
  O  O21  1  0.758  0.777  0.067  1.0
[/CIF]
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