The crystal structure described by TmCu(BO2)5 crystallizes in the orthorhombic Ibam space group. Tm(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. Cu(1) is bonded in an octahedral geometry to two equivalent O(3) and four equivalent O(1) atoms. There are two inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. In the second B site, B(2) is bonded in a tetrahedral geometry to four equivalent O(2) atoms. There are three inequivalent O sites. In the first O site, O(2) is bonded in a 2-coordinate geometry to one Tm(1), one B(1), and one B(2) atom. In the second O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Cu(1) and two equivalent B(1) atoms. In the third O site, O(1) is bonded in a 3-coordinate geometry to one Tm(1), one Cu(1), and one B(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_TmCu(BO2)5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.272
_cell_length_b   8.272
_cell_length_c   8.272
_cell_angle_alpha   135.188
_cell_angle_beta   117.755
_cell_angle_gamma   79.915
_symmetry_Int_Tables_number   1
_cell_volume   341.932
_cell_formula_units_Z   2
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  0.250  0.750  0.500  1.0
  Tm  Tm1  1  0.750  0.250  0.500  1.0
  Cu  Cu2  1  0.000  0.500  0.500  1.0
  Cu  Cu3  1  0.500  0.000  0.500  1.0
  B  B4  1  0.092  0.785  0.076  1.0
  B  B5  1  0.250  0.250  0.000  1.0
  B  B6  1  0.750  0.750  0.000  1.0
  B  B7  1  0.291  0.983  0.076  1.0
  B  B8  1  0.908  0.215  0.924  1.0
  B  B9  1  0.709  0.017  0.924  1.0
  B  B10  1  0.592  0.517  0.308  1.0
  B  B11  1  0.209  0.285  0.692  1.0
  B  B12  1  0.408  0.483  0.692  1.0
  B  B13  1  0.791  0.715  0.308  1.0
  O  O14  1  0.456  0.052  0.283  1.0
  O  O15  1  0.269  0.552  0.596  1.0
  O  O16  1  0.956  0.674  0.404  1.0
  O  O17  1  0.769  0.174  0.717  1.0
  O  O18  1  0.231  0.826  0.283  1.0
  O  O19  1  0.544  0.948  0.717  1.0
  O  O20  1  0.731  0.448  0.404  1.0
  O  O21  1  0.044  0.326  0.596  1.0
  O  O22  1  0.908  0.664  0.944  1.0
  O  O23  1  0.720  0.964  0.056  1.0
  O  O24  1  0.408  0.464  0.244  1.0
  O  O25  1  0.220  0.164  0.756  1.0
  O  O26  1  0.374  0.352  0.726  1.0
  O  O27  1  0.626  0.648  0.274  1.0
  O  O28  1  0.874  0.148  0.022  1.0
  O  O29  1  0.126  0.852  0.978  1.0
  O  O30  1  0.592  0.536  0.756  1.0
  O  O31  1  0.780  0.836  0.244  1.0
  O  O32  1  0.092  0.336  0.056  1.0
  O  O33  1  0.280  0.036  0.944  1.0
[/CIF]
.
The crystal structure described by TmCu(BO2)5 crystallizes in the orthorhombic Ibam space group. Tm(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. Cu(1) is bonded in an octahedral geometry to two equivalent O(3) and four equivalent O(1) atoms. There are two inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. In the second B site, B(2) is bonded in a tetrahedral geometry to four equivalent O(2) atoms. There are three inequivalent O sites. In the first O site, O(2) is bonded in a 2-coordinate geometry to one Tm(1), one B(1), and one B(2) atom. In the second O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Cu(1) and two equivalent B(1) atoms. In the third O site, O(1) is bonded in a 3-coordinate geometry to one Tm(1), one Cu(1), and one B(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_TmCu(BO2)5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.272
_cell_length_b   8.272
_cell_length_c   8.272
_cell_angle_alpha   135.188
_cell_angle_beta   117.755
_cell_angle_gamma   79.915
_symmetry_Int_Tables_number   1
_cell_volume   341.932
_cell_formula_units_Z   2
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  0.250  0.750  0.500  1.0
  Tm  Tm1  1  0.750  0.250  0.500  1.0
  Cu  Cu2  1  0.000  0.500  0.500  1.0
  Cu  Cu3  1  0.500  0.000  0.500  1.0
  B  B4  1  0.092  0.785  0.076  1.0
  B  B5  1  0.250  0.250  0.000  1.0
  B  B6  1  0.750  0.750  0.000  1.0
  B  B7  1  0.291  0.983  0.076  1.0
  B  B8  1  0.908  0.215  0.924  1.0
  B  B9  1  0.709  0.017  0.924  1.0
  B  B10  1  0.592  0.517  0.308  1.0
  B  B11  1  0.209  0.285  0.692  1.0
  B  B12  1  0.408  0.483  0.692  1.0
  B  B13  1  0.791  0.715  0.308  1.0
  O  O14  1  0.456  0.052  0.283  1.0
  O  O15  1  0.269  0.552  0.596  1.0
  O  O16  1  0.956  0.674  0.404  1.0
  O  O17  1  0.769  0.174  0.717  1.0
  O  O18  1  0.231  0.826  0.283  1.0
  O  O19  1  0.544  0.948  0.717  1.0
  O  O20  1  0.731  0.448  0.404  1.0
  O  O21  1  0.044  0.326  0.596  1.0
  O  O22  1  0.908  0.664  0.944  1.0
  O  O23  1  0.720  0.964  0.056  1.0
  O  O24  1  0.408  0.464  0.244  1.0
  O  O25  1  0.220  0.164  0.756  1.0
  O  O26  1  0.374  0.352  0.726  1.0
  O  O27  1  0.626  0.648  0.274  1.0
  O  O28  1  0.874  0.148  0.022  1.0
  O  O29  1  0.126  0.852  0.978  1.0
  O  O30  1  0.592  0.536  0.756  1.0
  O  O31  1  0.780  0.836  0.244  1.0
  O  O32  1  0.092  0.336  0.056  1.0
  O  O33  1  0.280  0.036  0.944  1.0
[/CIF]
.