The material structure described by MgIn4(Ge2O7)2 crystallizes in the orthorhombic Imm2 space group. Mg(1) is bonded to one O(4), one O(5), and four equivalent O(3) atoms to form MgO6 octahedra that share corners with six equivalent In(1)O8 hexagonal bipyramids, corners with six equivalent In(2)O8 hexagonal bipyramids, faces with two equivalent Ge(1)O6 octahedra, and faces with two equivalent Ge(2)O6 octahedra. There are two inequivalent In sites. In the first In site, In(1) is bonded to one O(1), one O(2), one O(5), one O(8), two equivalent O(3), and two equivalent O(6) atoms to form distorted InO8 hexagonal bipyramids that share corners with three equivalent Mg(1)O6 octahedra, edges with two equivalent In(1)O8 hexagonal bipyramids, edges with four equivalent In(2)O8 hexagonal bipyramids, edges with two equivalent Ge(1)O6 octahedra, and edges with four equivalent Ge(2)O6 octahedra. The corner-sharing octahedral tilt angles are 45°. In the second In site, In(2) is bonded to one O(1), one O(2), one O(4), one O(7), two equivalent O(3), and two equivalent O(6) atoms to form distorted InO8 hexagonal bipyramids that share corners with three equivalent Mg(1)O6 octahedra, edges with two equivalent In(2)O8 hexagonal bipyramids, edges with four equivalent In(1)O8 hexagonal bipyramids, edges with two equivalent Ge(2)O6 octahedra, and edges with four equivalent Ge(1)O6 octahedra. The corner-sharing octahedral tilt angles are 45°. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded to one O(4), one O(7), two equivalent O(3), and two equivalent O(6) atoms to form distorted GeO6 octahedra that share corners with two equivalent Ge(1)O6 octahedra, corners with four equivalent Ge(2)O6 octahedra, edges with two equivalent In(1)O8 hexagonal bipyramids, edges with four equivalent In(2)O8 hexagonal bipyramids, and  a faceface with one Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 35-56°. In the second Ge site, Ge(2) is bonded to one O(5), one O(8), two equivalent O(3), and two equivalent O(6) atoms to form distorted GeO6 octahedra that share corners with two equivalent Ge(2)O6 octahedra, corners with four equivalent Ge(1)O6 octahedra, edges with two equivalent In(2)O8 hexagonal bipyramids, edges with four equivalent In(1)O8 hexagonal bipyramids, and  a faceface with one Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 35-56°. There are eight inequivalent O sites. In the first O site, O(1) is bonded to two equivalent In(1) and two equivalent In(2) atoms to form corner-sharing OIn4 tetrahedra. In the second O site, O(2) is bonded to two equivalent In(1) and two equivalent In(2) atoms to form corner-sharing OIn4 tetrahedra. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Mg(1), one In(1), one In(2), one Ge(1), and one Ge(2) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Mg(1), two equivalent In(2), and two equivalent Ge(1) atoms. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Mg(1), two equivalent In(1), and two equivalent Ge(2) atoms. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one In(1), one In(2), one Ge(1), and one Ge(2) atom. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to two equivalent In(2) and two equivalent Ge(1) atoms. In the eighth O site, O(8) is bonded in a distorted bent 120 degrees geometry to two equivalent In(1) and two equivalent Ge(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgIn4(Ge2O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.253
_cell_length_b   7.253
_cell_length_c   7.263
_cell_angle_alpha   59.953
_cell_angle_beta   59.953
_cell_angle_gamma   59.926
_symmetry_Int_Tables_number   1
_cell_volume   269.794
_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
  Mg  Mg0  1  0.124  0.124  0.126  1.0
  In  In1  1  0.500  0.500  0.999  1.0
  In  In2  1  0.501  0.999  0.500  1.0
  In  In3  1  0.999  0.501  0.500  1.0
  In  In4  1  0.500  0.500  0.500  1.0
  Ge  Ge5  1  0.988  0.988  0.536  1.0
  Ge  Ge6  1  0.989  0.534  0.988  1.0
  Ge  Ge7  1  0.534  0.989  0.988  1.0
  Ge  Ge8  1  0.988  0.988  0.988  1.0
  O  O9  1  0.375  0.375  0.375  1.0
  O  O10  1  0.624  0.624  0.626  1.0
  O  O11  1  0.323  0.926  0.928  1.0
  O  O12  1  0.926  0.323  0.323  1.0
  O  O13  1  0.926  0.323  0.928  1.0
  O  O14  1  0.323  0.926  0.323  1.0
  O  O15  1  0.926  0.926  0.324  1.0
  O  O16  1  0.322  0.322  0.928  1.0
  O  O17  1  0.677  0.074  0.072  1.0
  O  O18  1  0.074  0.677  0.678  1.0
  O  O19  1  0.074  0.677  0.072  1.0
  O  O20  1  0.677  0.074  0.678  1.0
  O  O21  1  0.073  0.073  0.677  1.0
  O  O22  1  0.677  0.677  0.073  1.0
[/CIF]
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The material structure described by MgIn4(Ge2O7)2 crystallizes in the orthorhombic Imm2 space group. Mg(1) is bonded to one O(4), one O(5), and four equivalent O(3) atoms to form MgO6 octahedra that share corners with six equivalent In(1)O8 hexagonal bipyramids, corners with six equivalent In(2)O8 hexagonal bipyramids, faces with two equivalent Ge(1)O6 octahedra, and faces with two equivalent Ge(2)O6 octahedra. There are two inequivalent In sites. In the first In site, In(1) is bonded to one O(1), one O(2), one O(5), one O(8), two equivalent O(3), and two equivalent O(6) atoms to form distorted InO8 hexagonal bipyramids that share corners with three equivalent Mg(1)O6 octahedra, edges with two equivalent In(1)O8 hexagonal bipyramids, edges with four equivalent In(2)O8 hexagonal bipyramids, edges with two equivalent Ge(1)O6 octahedra, and edges with four equivalent Ge(2)O6 octahedra. The corner-sharing octahedral tilt angles are 45°. In the second In site, In(2) is bonded to one O(1), one O(2), one O(4), one O(7), two equivalent O(3), and two equivalent O(6) atoms to form distorted InO8 hexagonal bipyramids that share corners with three equivalent Mg(1)O6 octahedra, edges with two equivalent In(2)O8 hexagonal bipyramids, edges with four equivalent In(1)O8 hexagonal bipyramids, edges with two equivalent Ge(2)O6 octahedra, and edges with four equivalent Ge(1)O6 octahedra. The corner-sharing octahedral tilt angles are 45°. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded to one O(4), one O(7), two equivalent O(3), and two equivalent O(6) atoms to form distorted GeO6 octahedra that share corners with two equivalent Ge(1)O6 octahedra, corners with four equivalent Ge(2)O6 octahedra, edges with two equivalent In(1)O8 hexagonal bipyramids, edges with four equivalent In(2)O8 hexagonal bipyramids, and  a faceface with one Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 35-56°. In the second Ge site, Ge(2) is bonded to one O(5), one O(8), two equivalent O(3), and two equivalent O(6) atoms to form distorted GeO6 octahedra that share corners with two equivalent Ge(2)O6 octahedra, corners with four equivalent Ge(1)O6 octahedra, edges with two equivalent In(2)O8 hexagonal bipyramids, edges with four equivalent In(1)O8 hexagonal bipyramids, and  a faceface with one Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 35-56°. There are eight inequivalent O sites. In the first O site, O(1) is bonded to two equivalent In(1) and two equivalent In(2) atoms to form corner-sharing OIn4 tetrahedra. In the second O site, O(2) is bonded to two equivalent In(1) and two equivalent In(2) atoms to form corner-sharing OIn4 tetrahedra. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Mg(1), one In(1), one In(2), one Ge(1), and one Ge(2) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Mg(1), two equivalent In(2), and two equivalent Ge(1) atoms. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Mg(1), two equivalent In(1), and two equivalent Ge(2) atoms. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one In(1), one In(2), one Ge(1), and one Ge(2) atom. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to two equivalent In(2) and two equivalent Ge(1) atoms. In the eighth O site, O(8) is bonded in a distorted bent 120 degrees geometry to two equivalent In(1) and two equivalent Ge(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgIn4(Ge2O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.253
_cell_length_b   7.253
_cell_length_c   7.263
_cell_angle_alpha   59.953
_cell_angle_beta   59.953
_cell_angle_gamma   59.926
_symmetry_Int_Tables_number   1
_cell_volume   269.794
_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
  Mg  Mg0  1  0.124  0.124  0.126  1.0
  In  In1  1  0.500  0.500  0.999  1.0
  In  In2  1  0.501  0.999  0.500  1.0
  In  In3  1  0.999  0.501  0.500  1.0
  In  In4  1  0.500  0.500  0.500  1.0
  Ge  Ge5  1  0.988  0.988  0.536  1.0
  Ge  Ge6  1  0.989  0.534  0.988  1.0
  Ge  Ge7  1  0.534  0.989  0.988  1.0
  Ge  Ge8  1  0.988  0.988  0.988  1.0
  O  O9  1  0.375  0.375  0.375  1.0
  O  O10  1  0.624  0.624  0.626  1.0
  O  O11  1  0.323  0.926  0.928  1.0
  O  O12  1  0.926  0.323  0.323  1.0
  O  O13  1  0.926  0.323  0.928  1.0
  O  O14  1  0.323  0.926  0.323  1.0
  O  O15  1  0.926  0.926  0.324  1.0
  O  O16  1  0.322  0.322  0.928  1.0
  O  O17  1  0.677  0.074  0.072  1.0
  O  O18  1  0.074  0.677  0.678  1.0
  O  O19  1  0.074  0.677  0.072  1.0
  O  O20  1  0.677  0.074  0.678  1.0
  O  O21  1  0.073  0.073  0.677  1.0
  O  O22  1  0.677  0.677  0.073  1.0
[/CIF]
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