The compound described by NdBGeO5 crystallizes in the monoclinic P2_1/c space group. Nd(1) is bonded in a 8-coordinate geometry to one O(2), one O(5), two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms. B(1) is bonded to one O(1), one O(2), one O(3), and one O(5) atom to form BO4 tetrahedra that share corners with three equivalent Ge(1)O4 tetrahedra. Ge(1) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form GeO4 tetrahedra that share corners with three equivalent B(1)O4 tetrahedra. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to two equivalent Nd(1) and one B(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Nd(1), one B(1), and one Ge(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Nd(1), one B(1), and one Ge(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to two equivalent Nd(1) and one Ge(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Nd(1), one B(1), and one Ge(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_NdGeBO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.681
_cell_length_b   5.010
_cell_length_c   10.143
_cell_angle_alpha   88.059
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   390.119
_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
  Nd  Nd0  1  0.108  0.007  0.321  1.0
  Nd  Nd1  1  0.608  0.993  0.179  1.0
  Nd  Nd2  1  0.892  0.993  0.679  1.0
  Nd  Nd3  1  0.392  0.007  0.821  1.0
  Ge  Ge4  1  0.765  0.471  0.424  1.0
  Ge  Ge5  1  0.265  0.529  0.076  1.0
  Ge  Ge6  1  0.235  0.529  0.576  1.0
  Ge  Ge7  1  0.735  0.471  0.924  1.0
  B  B8  1  0.096  0.455  0.831  1.0
  B  B9  1  0.596  0.545  0.669  1.0
  B  B10  1  0.904  0.545  0.169  1.0
  B  B11  1  0.404  0.455  0.331  1.0
  O  O12  1  0.103  0.734  0.810  1.0
  O  O13  1  0.603  0.266  0.690  1.0
  O  O14  1  0.897  0.266  0.190  1.0
  O  O15  1  0.397  0.734  0.310  1.0
  O  O16  1  0.214  0.339  0.936  1.0
  O  O17  1  0.714  0.661  0.564  1.0
  O  O18  1  0.786  0.661  0.064  1.0
  O  O19  1  0.286  0.339  0.436  1.0
  O  O20  1  0.160  0.298  0.704  1.0
  O  O21  1  0.660  0.702  0.796  1.0
  O  O22  1  0.840  0.702  0.296  1.0
  O  O23  1  0.340  0.298  0.204  1.0
  O  O24  1  0.089  0.778  0.528  1.0
  O  O25  1  0.589  0.222  0.972  1.0
  O  O26  1  0.911  0.222  0.472  1.0
  O  O27  1  0.411  0.778  0.028  1.0
  O  O28  1  0.079  0.671  0.150  1.0
  O  O29  1  0.579  0.329  0.350  1.0
  O  O30  1  0.921  0.329  0.850  1.0
  O  O31  1  0.421  0.671  0.650  1.0
[/CIF]
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The compound described by NdBGeO5 crystallizes in the monoclinic P2_1/c space group. Nd(1) is bonded in a 8-coordinate geometry to one O(2), one O(5), two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms. B(1) is bonded to one O(1), one O(2), one O(3), and one O(5) atom to form BO4 tetrahedra that share corners with three equivalent Ge(1)O4 tetrahedra. Ge(1) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form GeO4 tetrahedra that share corners with three equivalent B(1)O4 tetrahedra. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to two equivalent Nd(1) and one B(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Nd(1), one B(1), and one Ge(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Nd(1), one B(1), and one Ge(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to two equivalent Nd(1) and one Ge(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Nd(1), one B(1), and one Ge(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_NdGeBO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.681
_cell_length_b   5.010
_cell_length_c   10.143
_cell_angle_alpha   88.059
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   390.119
_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
  Nd  Nd0  1  0.108  0.007  0.321  1.0
  Nd  Nd1  1  0.608  0.993  0.179  1.0
  Nd  Nd2  1  0.892  0.993  0.679  1.0
  Nd  Nd3  1  0.392  0.007  0.821  1.0
  Ge  Ge4  1  0.765  0.471  0.424  1.0
  Ge  Ge5  1  0.265  0.529  0.076  1.0
  Ge  Ge6  1  0.235  0.529  0.576  1.0
  Ge  Ge7  1  0.735  0.471  0.924  1.0
  B  B8  1  0.096  0.455  0.831  1.0
  B  B9  1  0.596  0.545  0.669  1.0
  B  B10  1  0.904  0.545  0.169  1.0
  B  B11  1  0.404  0.455  0.331  1.0
  O  O12  1  0.103  0.734  0.810  1.0
  O  O13  1  0.603  0.266  0.690  1.0
  O  O14  1  0.897  0.266  0.190  1.0
  O  O15  1  0.397  0.734  0.310  1.0
  O  O16  1  0.214  0.339  0.936  1.0
  O  O17  1  0.714  0.661  0.564  1.0
  O  O18  1  0.786  0.661  0.064  1.0
  O  O19  1  0.286  0.339  0.436  1.0
  O  O20  1  0.160  0.298  0.704  1.0
  O  O21  1  0.660  0.702  0.796  1.0
  O  O22  1  0.840  0.702  0.296  1.0
  O  O23  1  0.340  0.298  0.204  1.0
  O  O24  1  0.089  0.778  0.528  1.0
  O  O25  1  0.589  0.222  0.972  1.0
  O  O26  1  0.911  0.222  0.472  1.0
  O  O27  1  0.411  0.778  0.028  1.0
  O  O28  1  0.079  0.671  0.150  1.0
  O  O29  1  0.579  0.329  0.350  1.0
  O  O30  1  0.921  0.329  0.850  1.0
  O  O31  1  0.421  0.671  0.650  1.0
[/CIF]
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