The compound described by TmCO4 crystallizes in the tetragonal P4_2/nmc space group. Tm(1) is bonded to two equivalent O(1), two equivalent O(2), and four equivalent O(3) atoms to form a mixture of distorted corner and edge-sharing TmO8 hexagonal bipyramids. C(1) is bonded in a trigonal planar geometry to one O(2) and two equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Tm(1) and one C(1) atom. In the second O site, O(1) is bonded in a bent 150 degrees geometry to two equivalent Tm(1) atoms. In the third O site, O(2) is bonded in a distorted single-bond geometry to two equivalent Tm(1) and one C(1) atom. is represented by the CIF card [CIF]
data_TmCO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.464
_cell_length_b   9.464
_cell_length_c   7.833
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   701.573
_cell_formula_units_Z   8
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
  Tm  Tm0  1  0.730  0.270  0.000  1.0
  Tm  Tm1  1  0.730  0.730  0.000  1.0
  Tm  Tm2  1  0.270  0.270  0.000  1.0
  Tm  Tm3  1  0.270  0.730  0.000  1.0
  Tm  Tm4  1  0.770  0.230  0.500  1.0
  Tm  Tm5  1  0.770  0.770  0.500  1.0
  Tm  Tm6  1  0.230  0.230  0.500  1.0
  Tm  Tm7  1  0.230  0.770  0.500  1.0
  C  C8  1  0.749  0.000  0.158  1.0
  C  C9  1  0.251  0.000  0.158  1.0
  C  C10  1  0.500  0.249  0.658  1.0
  C  C11  1  0.500  0.751  0.658  1.0
  C  C12  1  0.751  0.500  0.342  1.0
  C  C13  1  0.249  0.500  0.342  1.0
  C  C14  1  0.000  0.251  0.842  1.0
  C  C15  1  0.000  0.749  0.842  1.0
  O  O16  1  0.500  0.258  0.042  1.0
  O  O17  1  0.500  0.742  0.042  1.0
  O  O18  1  0.758  0.000  0.542  1.0
  O  O19  1  0.242  0.000  0.542  1.0
  O  O20  1  0.000  0.242  0.458  1.0
  O  O21  1  0.000  0.758  0.458  1.0
  O  O22  1  0.742  0.500  0.958  1.0
  O  O23  1  0.258  0.500  0.958  1.0
  O  O24  1  0.738  0.000  0.994  1.0
  O  O25  1  0.262  0.000  0.994  1.0
  O  O26  1  0.500  0.238  0.494  1.0
  O  O27  1  0.500  0.762  0.494  1.0
  O  O28  1  0.762  0.500  0.506  1.0
  O  O29  1  0.238  0.500  0.506  1.0
  O  O30  1  0.000  0.262  0.006  1.0
  O  O31  1  0.000  0.738  0.006  1.0
  O  O32  1  0.745  0.380  0.263  1.0
  O  O33  1  0.745  0.620  0.263  1.0
  O  O34  1  0.255  0.380  0.263  1.0
  O  O35  1  0.255  0.620  0.263  1.0
  O  O36  1  0.880  0.245  0.763  1.0
  O  O37  1  0.880  0.755  0.763  1.0
  O  O38  1  0.120  0.245  0.763  1.0
  O  O39  1  0.120  0.755  0.763  1.0
  O  O40  1  0.755  0.120  0.237  1.0
  O  O41  1  0.755  0.880  0.237  1.0
  O  O42  1  0.245  0.120  0.237  1.0
  O  O43  1  0.245  0.880  0.237  1.0
  O  O44  1  0.620  0.255  0.737  1.0
  O  O45  1  0.620  0.745  0.737  1.0
  O  O46  1  0.380  0.255  0.737  1.0
  O  O47  1  0.380  0.745  0.737  1.0
[/CIF]
.
The compound described by TmCO4 crystallizes in the tetragonal P4_2/nmc space group. Tm(1) is bonded to two equivalent O(1), two equivalent O(2), and four equivalent O(3) atoms to form a mixture of distorted corner and edge-sharing TmO8 hexagonal bipyramids. C(1) is bonded in a trigonal planar geometry to one O(2) and two equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Tm(1) and one C(1) atom. In the second O site, O(1) is bonded in a bent 150 degrees geometry to two equivalent Tm(1) atoms. In the third O site, O(2) is bonded in a distorted single-bond geometry to two equivalent Tm(1) and one C(1) atom. is represented by the CIF card [CIF]
data_TmCO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.464
_cell_length_b   9.464
_cell_length_c   7.833
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   701.573
_cell_formula_units_Z   8
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
  Tm  Tm0  1  0.730  0.270  0.000  1.0
  Tm  Tm1  1  0.730  0.730  0.000  1.0
  Tm  Tm2  1  0.270  0.270  0.000  1.0
  Tm  Tm3  1  0.270  0.730  0.000  1.0
  Tm  Tm4  1  0.770  0.230  0.500  1.0
  Tm  Tm5  1  0.770  0.770  0.500  1.0
  Tm  Tm6  1  0.230  0.230  0.500  1.0
  Tm  Tm7  1  0.230  0.770  0.500  1.0
  C  C8  1  0.749  0.000  0.158  1.0
  C  C9  1  0.251  0.000  0.158  1.0
  C  C10  1  0.500  0.249  0.658  1.0
  C  C11  1  0.500  0.751  0.658  1.0
  C  C12  1  0.751  0.500  0.342  1.0
  C  C13  1  0.249  0.500  0.342  1.0
  C  C14  1  0.000  0.251  0.842  1.0
  C  C15  1  0.000  0.749  0.842  1.0
  O  O16  1  0.500  0.258  0.042  1.0
  O  O17  1  0.500  0.742  0.042  1.0
  O  O18  1  0.758  0.000  0.542  1.0
  O  O19  1  0.242  0.000  0.542  1.0
  O  O20  1  0.000  0.242  0.458  1.0
  O  O21  1  0.000  0.758  0.458  1.0
  O  O22  1  0.742  0.500  0.958  1.0
  O  O23  1  0.258  0.500  0.958  1.0
  O  O24  1  0.738  0.000  0.994  1.0
  O  O25  1  0.262  0.000  0.994  1.0
  O  O26  1  0.500  0.238  0.494  1.0
  O  O27  1  0.500  0.762  0.494  1.0
  O  O28  1  0.762  0.500  0.506  1.0
  O  O29  1  0.238  0.500  0.506  1.0
  O  O30  1  0.000  0.262  0.006  1.0
  O  O31  1  0.000  0.738  0.006  1.0
  O  O32  1  0.745  0.380  0.263  1.0
  O  O33  1  0.745  0.620  0.263  1.0
  O  O34  1  0.255  0.380  0.263  1.0
  O  O35  1  0.255  0.620  0.263  1.0
  O  O36  1  0.880  0.245  0.763  1.0
  O  O37  1  0.880  0.755  0.763  1.0
  O  O38  1  0.120  0.245  0.763  1.0
  O  O39  1  0.120  0.755  0.763  1.0
  O  O40  1  0.755  0.120  0.237  1.0
  O  O41  1  0.755  0.880  0.237  1.0
  O  O42  1  0.245  0.120  0.237  1.0
  O  O43  1  0.245  0.880  0.237  1.0
  O  O44  1  0.620  0.255  0.737  1.0
  O  O45  1  0.620  0.745  0.737  1.0
  O  O46  1  0.380  0.255  0.737  1.0
  O  O47  1  0.380  0.745  0.737  1.0
[/CIF]
.