The compound described by Ti2C2O9 crystallizes in the orthorhombic Cmce space group. Ti(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form distorted corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 0-14°. There are two inequivalent C sites. In the first C site, C(1) is bonded in a distorted bent 120 degrees geometry to two equivalent O(1) atoms. In the second C site, C(2) is bonded in a distorted bent 120 degrees geometry to two equivalent O(2) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Ti(1) and one C(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Ti(1) and one C(2) atom. In the third O site, O(3) is bonded in a linear geometry to two equivalent Ti(1) atoms. In the fourth O site, O(4) is bonded in a linear geometry to two equivalent Ti(1) atoms. In the fifth O site, O(5) is bonded in a linear geometry to two equivalent Ti(1) atoms. In the sixth O site, O(6) is bonded in a single-bond geometry to one Ti(1) atom. is represented by the CIF card [CIF]
data_Ti2C2O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.580
_cell_length_b   9.580
_cell_length_c   9.799
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   109.562
_symmetry_Int_Tables_number   1
_cell_volume   847.347
_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
  Ti  Ti0  1  0.676  0.041  0.097  1.0
  Ti  Ti1  1  0.959  0.324  0.903  1.0
  Ti  Ti2  1  0.459  0.824  0.597  1.0
  Ti  Ti3  1  0.176  0.541  0.403  1.0
  Ti  Ti4  1  0.324  0.959  0.903  1.0
  Ti  Ti5  1  0.041  0.676  0.097  1.0
  Ti  Ti6  1  0.541  0.176  0.403  1.0
  Ti  Ti7  1  0.824  0.459  0.597  1.0
  C  C8  1  0.888  0.888  0.169  1.0
  C  C9  1  0.112  0.112  0.831  1.0
  C  C10  1  0.612  0.612  0.669  1.0
  C  C11  1  0.388  0.388  0.331  1.0
  C  C12  1  0.818  0.818  0.033  1.0
  C  C13  1  0.182  0.182  0.967  1.0
  C  C14  1  0.682  0.682  0.533  1.0
  C  C15  1  0.318  0.318  0.467  1.0
  O  O16  1  0.842  0.987  0.217  1.0
  O  O17  1  0.013  0.158  0.783  1.0
  O  O18  1  0.513  0.658  0.717  1.0
  O  O19  1  0.342  0.487  0.283  1.0
  O  O20  1  0.158  0.013  0.783  1.0
  O  O21  1  0.987  0.842  0.217  1.0
  O  O22  1  0.487  0.342  0.283  1.0
  O  O23  1  0.658  0.513  0.717  1.0
  O  O24  1  0.721  0.867  0.983  1.0
  O  O25  1  0.133  0.279  0.017  1.0
  O  O26  1  0.633  0.779  0.483  1.0
  O  O27  1  0.221  0.367  0.517  1.0
  O  O28  1  0.279  0.133  0.017  1.0
  O  O29  1  0.867  0.721  0.983  1.0
  O  O30  1  0.367  0.221  0.517  1.0
  O  O31  1  0.779  0.633  0.483  1.0
  O  O32  1  0.629  0.129  0.250  1.0
  O  O33  1  0.871  0.371  0.750  1.0
  O  O34  1  0.371  0.871  0.750  1.0
  O  O35  1  0.129  0.629  0.250  1.0
  O  O36  1  0.500  0.000  0.000  1.0
  O  O37  1  0.000  0.500  0.000  1.0
  O  O38  1  0.500  0.000  0.500  1.0
  O  O39  1  0.000  0.500  0.500  1.0
  O  O40  1  0.815  0.185  0.000  1.0
  O  O41  1  0.315  0.685  0.500  1.0
  O  O42  1  0.185  0.815  0.000  1.0
  O  O43  1  0.685  0.315  0.500  1.0
  O  O44  1  0.549  0.847  0.189  1.0
  O  O45  1  0.153  0.451  0.811  1.0
  O  O46  1  0.653  0.951  0.689  1.0
  O  O47  1  0.049  0.347  0.311  1.0
  O  O48  1  0.451  0.153  0.811  1.0
  O  O49  1  0.847  0.549  0.189  1.0
  O  O50  1  0.347  0.049  0.311  1.0
  O  O51  1  0.951  0.653  0.689  1.0
[/CIF]
.
The compound described by Ti2C2O9 crystallizes in the orthorhombic Cmce space group. Ti(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form distorted corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 0-14°. There are two inequivalent C sites. In the first C site, C(1) is bonded in a distorted bent 120 degrees geometry to two equivalent O(1) atoms. In the second C site, C(2) is bonded in a distorted bent 120 degrees geometry to two equivalent O(2) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Ti(1) and one C(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Ti(1) and one C(2) atom. In the third O site, O(3) is bonded in a linear geometry to two equivalent Ti(1) atoms. In the fourth O site, O(4) is bonded in a linear geometry to two equivalent Ti(1) atoms. In the fifth O site, O(5) is bonded in a linear geometry to two equivalent Ti(1) atoms. In the sixth O site, O(6) is bonded in a single-bond geometry to one Ti(1) atom. is represented by the CIF card [CIF]
data_Ti2C2O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.580
_cell_length_b   9.580
_cell_length_c   9.799
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   109.562
_symmetry_Int_Tables_number   1
_cell_volume   847.347
_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
  Ti  Ti0  1  0.676  0.041  0.097  1.0
  Ti  Ti1  1  0.959  0.324  0.903  1.0
  Ti  Ti2  1  0.459  0.824  0.597  1.0
  Ti  Ti3  1  0.176  0.541  0.403  1.0
  Ti  Ti4  1  0.324  0.959  0.903  1.0
  Ti  Ti5  1  0.041  0.676  0.097  1.0
  Ti  Ti6  1  0.541  0.176  0.403  1.0
  Ti  Ti7  1  0.824  0.459  0.597  1.0
  C  C8  1  0.888  0.888  0.169  1.0
  C  C9  1  0.112  0.112  0.831  1.0
  C  C10  1  0.612  0.612  0.669  1.0
  C  C11  1  0.388  0.388  0.331  1.0
  C  C12  1  0.818  0.818  0.033  1.0
  C  C13  1  0.182  0.182  0.967  1.0
  C  C14  1  0.682  0.682  0.533  1.0
  C  C15  1  0.318  0.318  0.467  1.0
  O  O16  1  0.842  0.987  0.217  1.0
  O  O17  1  0.013  0.158  0.783  1.0
  O  O18  1  0.513  0.658  0.717  1.0
  O  O19  1  0.342  0.487  0.283  1.0
  O  O20  1  0.158  0.013  0.783  1.0
  O  O21  1  0.987  0.842  0.217  1.0
  O  O22  1  0.487  0.342  0.283  1.0
  O  O23  1  0.658  0.513  0.717  1.0
  O  O24  1  0.721  0.867  0.983  1.0
  O  O25  1  0.133  0.279  0.017  1.0
  O  O26  1  0.633  0.779  0.483  1.0
  O  O27  1  0.221  0.367  0.517  1.0
  O  O28  1  0.279  0.133  0.017  1.0
  O  O29  1  0.867  0.721  0.983  1.0
  O  O30  1  0.367  0.221  0.517  1.0
  O  O31  1  0.779  0.633  0.483  1.0
  O  O32  1  0.629  0.129  0.250  1.0
  O  O33  1  0.871  0.371  0.750  1.0
  O  O34  1  0.371  0.871  0.750  1.0
  O  O35  1  0.129  0.629  0.250  1.0
  O  O36  1  0.500  0.000  0.000  1.0
  O  O37  1  0.000  0.500  0.000  1.0
  O  O38  1  0.500  0.000  0.500  1.0
  O  O39  1  0.000  0.500  0.500  1.0
  O  O40  1  0.815  0.185  0.000  1.0
  O  O41  1  0.315  0.685  0.500  1.0
  O  O42  1  0.185  0.815  0.000  1.0
  O  O43  1  0.685  0.315  0.500  1.0
  O  O44  1  0.549  0.847  0.189  1.0
  O  O45  1  0.153  0.451  0.811  1.0
  O  O46  1  0.653  0.951  0.689  1.0
  O  O47  1  0.049  0.347  0.311  1.0
  O  O48  1  0.451  0.153  0.811  1.0
  O  O49  1  0.847  0.549  0.189  1.0
  O  O50  1  0.347  0.049  0.311  1.0
  O  O51  1  0.951  0.653  0.689  1.0
[/CIF]
.