The structure described by TbH3(CO2)3 crystallizes in the trigonal R3m space group. Tb(1) is bonded in a 9-coordinate geometry to three equivalent O(1) and six equivalent O(2) atoms. C(1) is bonded in a trigonal planar geometry to one H(1), one O(1), and one O(2) atom. H(1) is bonded in a single-bond geometry to one C(1) atom. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Tb(1) and one C(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to two equivalent Tb(1) and one C(1) atom. is represented by the CIF file [CIF]
data_TbH3(CO2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.196
_cell_length_b   6.196
_cell_length_c   6.196
_cell_angle_alpha   115.539
_cell_angle_beta   115.539
_cell_angle_gamma   115.539
_symmetry_Int_Tables_number   1
_cell_volume   126.371
_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
  Tb  Tb0  1  1.000  1.000  1.000  1.0
  H  H1  1  0.360  0.845  0.360  1.0
  H  H2  1  0.360  0.360  0.845  1.0
  H  H3  1  0.845  0.360  0.360  1.0
  C  C4  1  0.606  0.146  0.606  1.0
  C  C5  1  0.606  0.606  0.146  1.0
  C  C6  1  0.146  0.606  0.606  1.0
  O  O7  1  0.886  0.283  0.886  1.0
  O  O8  1  0.886  0.886  0.283  1.0
  O  O9  1  0.283  0.886  0.886  1.0
  O  O10  1  0.587  0.336  0.587  1.0
  O  O11  1  0.587  0.587  0.336  1.0
  O  O12  1  0.336  0.587  0.587  1.0
[/CIF]
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The structure described by TbH3(CO2)3 crystallizes in the trigonal R3m space group. Tb(1) is bonded in a 9-coordinate geometry to three equivalent O(1) and six equivalent O(2) atoms. C(1) is bonded in a trigonal planar geometry to one H(1), one O(1), and one O(2) atom. H(1) is bonded in a single-bond geometry to one C(1) atom. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Tb(1) and one C(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to two equivalent Tb(1) and one C(1) atom. is represented by the CIF file [CIF]
data_TbH3(CO2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.196
_cell_length_b   6.196
_cell_length_c   6.196
_cell_angle_alpha   115.539
_cell_angle_beta   115.539
_cell_angle_gamma   115.539
_symmetry_Int_Tables_number   1
_cell_volume   126.371
_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
  Tb  Tb0  1  1.000  1.000  1.000  1.0
  H  H1  1  0.360  0.845  0.360  1.0
  H  H2  1  0.360  0.360  0.845  1.0
  H  H3  1  0.845  0.360  0.360  1.0
  C  C4  1  0.606  0.146  0.606  1.0
  C  C5  1  0.606  0.606  0.146  1.0
  C  C6  1  0.146  0.606  0.606  1.0
  O  O7  1  0.886  0.283  0.886  1.0
  O  O8  1  0.886  0.886  0.283  1.0
  O  O9  1  0.283  0.886  0.886  1.0
  O  O10  1  0.587  0.336  0.587  1.0
  O  O11  1  0.587  0.587  0.336  1.0
  O  O12  1  0.336  0.587  0.587  1.0
[/CIF]
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