The compound described by TbCO3 is Potassium chlorate-like structured and crystallizes in the monoclinic P2_1/m space group. There are two inequivalent Tb sites. In the first Tb site, Tb(1) is bonded in a 9-coordinate geometry to two equivalent O(4), three equivalent O(3), and four equivalent O(1) atoms. In the second Tb site, Tb(2) is bonded in a 9-coordinate geometry to two equivalent O(1), three equivalent O(2), and four equivalent O(4) atoms. There are two inequivalent C sites. In the first C site, C(1) is bonded in a distorted trigonal non-coplanar geometry to one O(2) and two equivalent O(1) atoms. In the second C site, C(2) is bonded in a distorted trigonal non-coplanar geometry to one O(3) and two equivalent O(4) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Tb(2), two equivalent Tb(1), and one C(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to three equivalent Tb(2) and one C(1) atom. In the third O site, O(3) is bonded in a 1-coordinate geometry to three equivalent Tb(1) and one C(2) atom. In the fourth O site, O(4) is bonded to one Tb(1), two equivalent Tb(2), and one C(2) atom to form a mixture of distorted edge and corner-sharing OTb3C tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_TbCO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.892
_cell_length_b   5.319
_cell_length_c   8.069
_cell_angle_alpha   89.875
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   209.951
_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
  Tb  Tb0  1  0.250  0.243  0.900  1.0
  Tb  Tb1  1  0.750  0.250  0.433  1.0
  Tb  Tb2  1  0.250  0.750  0.567  1.0
  Tb  Tb3  1  0.750  0.757  0.100  1.0
  C  C4  1  0.250  0.193  0.252  1.0
  C  C5  1  0.750  0.508  0.755  1.0
  C  C6  1  0.250  0.492  0.245  1.0
  C  C7  1  0.750  0.807  0.748  1.0
  O  O8  1  0.486  0.112  0.173  1.0
  O  O9  1  0.014  0.112  0.173  1.0
  O  O10  1  0.250  0.124  0.422  1.0
  O  O11  1  0.750  0.422  0.917  1.0
  O  O12  1  0.516  0.418  0.672  1.0
  O  O13  1  0.984  0.418  0.672  1.0
  O  O14  1  0.016  0.582  0.328  1.0
  O  O15  1  0.484  0.582  0.328  1.0
  O  O16  1  0.250  0.578  0.083  1.0
  O  O17  1  0.750  0.876  0.578  1.0
  O  O18  1  0.986  0.888  0.827  1.0
  O  O19  1  0.514  0.888  0.827  1.0
[/CIF]
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The compound described by TbCO3 is Potassium chlorate-like structured and crystallizes in the monoclinic P2_1/m space group. There are two inequivalent Tb sites. In the first Tb site, Tb(1) is bonded in a 9-coordinate geometry to two equivalent O(4), three equivalent O(3), and four equivalent O(1) atoms. In the second Tb site, Tb(2) is bonded in a 9-coordinate geometry to two equivalent O(1), three equivalent O(2), and four equivalent O(4) atoms. There are two inequivalent C sites. In the first C site, C(1) is bonded in a distorted trigonal non-coplanar geometry to one O(2) and two equivalent O(1) atoms. In the second C site, C(2) is bonded in a distorted trigonal non-coplanar geometry to one O(3) and two equivalent O(4) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Tb(2), two equivalent Tb(1), and one C(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to three equivalent Tb(2) and one C(1) atom. In the third O site, O(3) is bonded in a 1-coordinate geometry to three equivalent Tb(1) and one C(2) atom. In the fourth O site, O(4) is bonded to one Tb(1), two equivalent Tb(2), and one C(2) atom to form a mixture of distorted edge and corner-sharing OTb3C tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_TbCO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.892
_cell_length_b   5.319
_cell_length_c   8.069
_cell_angle_alpha   89.875
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   209.951
_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
  Tb  Tb0  1  0.250  0.243  0.900  1.0
  Tb  Tb1  1  0.750  0.250  0.433  1.0
  Tb  Tb2  1  0.250  0.750  0.567  1.0
  Tb  Tb3  1  0.750  0.757  0.100  1.0
  C  C4  1  0.250  0.193  0.252  1.0
  C  C5  1  0.750  0.508  0.755  1.0
  C  C6  1  0.250  0.492  0.245  1.0
  C  C7  1  0.750  0.807  0.748  1.0
  O  O8  1  0.486  0.112  0.173  1.0
  O  O9  1  0.014  0.112  0.173  1.0
  O  O10  1  0.250  0.124  0.422  1.0
  O  O11  1  0.750  0.422  0.917  1.0
  O  O12  1  0.516  0.418  0.672  1.0
  O  O13  1  0.984  0.418  0.672  1.0
  O  O14  1  0.016  0.582  0.328  1.0
  O  O15  1  0.484  0.582  0.328  1.0
  O  O16  1  0.250  0.578  0.083  1.0
  O  O17  1  0.750  0.876  0.578  1.0
  O  O18  1  0.986  0.888  0.827  1.0
  O  O19  1  0.514  0.888  0.827  1.0
[/CIF]
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