The crystal structure described by Sc(CO2)3 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in an octahedral geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. In the second Sc site, Sc(2) is bonded in an octahedral geometry to two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms. There are three inequivalent C sites. In the first C site, C(1) is bonded in a bent 120 degrees geometry to one O(1) and one O(3) atom. In the second C site, C(2) is bonded in a bent 120 degrees geometry to one O(2) and one O(4) atom. In the third C site, C(3) is bonded in a bent 120 degrees geometry to one O(5) and one O(6) atom. There are six inequivalent O sites. In the first O site, O(5) is bonded in a bent 150 degrees geometry to one Sc(2) and one C(3) atom. In the second O site, O(6) is bonded in a bent 150 degrees geometry to one Sc(2) and one C(3) atom. In the third O site, O(1) is bonded in a bent 150 degrees geometry to one Sc(1) and one C(1) atom. In the fourth O site, O(2) is bonded in a bent 150 degrees geometry to one Sc(1) and one C(2) atom. In the fifth O site, O(3) is bonded in a bent 150 degrees geometry to one Sc(1) and one C(1) atom. In the sixth O site, O(4) is bonded in a bent 150 degrees geometry to one Sc(2) and one C(2) atom. is represented by the CIF file [CIF]
data_Sc(CO2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.784
_cell_length_b   9.287
_cell_length_c   10.576
_cell_angle_alpha   80.805
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   657.776
_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
  Sc  Sc0  1  0.500  0.500  0.000  1.0
  Sc  Sc1  1  0.000  0.000  0.000  1.0
  Sc  Sc2  1  0.000  0.500  0.500  1.0
  Sc  Sc3  1  0.500  0.000  0.500  1.0
  C  C4  1  0.598  0.845  0.937  1.0
  C  C5  1  0.098  0.655  0.063  1.0
  C  C6  1  0.402  0.155  0.063  1.0
  C  C7  1  0.902  0.345  0.937  1.0
  C  C8  1  0.698  0.418  0.286  1.0
  C  C9  1  0.198  0.082  0.714  1.0
  C  C10  1  0.302  0.582  0.714  1.0
  C  C11  1  0.802  0.918  0.286  1.0
  C  C12  1  0.714  0.249  0.640  1.0
  C  C13  1  0.214  0.251  0.360  1.0
  C  C14  1  0.286  0.751  0.360  1.0
  C  C15  1  0.786  0.749  0.640  1.0
  O  O16  1  0.603  0.716  0.994  1.0
  O  O17  1  0.103  0.784  0.006  1.0
  O  O18  1  0.397  0.284  0.006  1.0
  O  O19  1  0.897  0.216  0.994  1.0
  O  O20  1  0.586  0.455  0.194  1.0
  O  O21  1  0.086  0.045  0.806  1.0
  O  O22  1  0.414  0.545  0.806  1.0
  O  O23  1  0.914  0.955  0.194  1.0
  O  O24  1  0.715  0.948  0.935  1.0
  O  O25  1  0.215  0.552  0.065  1.0
  O  O26  1  0.285  0.052  0.065  1.0
  O  O27  1  0.785  0.448  0.935  1.0
  O  O28  1  0.787  0.493  0.357  1.0
  O  O29  1  0.287  0.007  0.643  1.0
  O  O30  1  0.213  0.507  0.643  1.0
  O  O31  1  0.713  0.993  0.357  1.0
  O  O32  1  0.827  0.355  0.633  1.0
  O  O33  1  0.327  0.145  0.367  1.0
  O  O34  1  0.173  0.645  0.367  1.0
  O  O35  1  0.673  0.855  0.633  1.0
  O  O36  1  0.652  0.178  0.557  1.0
  O  O37  1  0.152  0.322  0.443  1.0
  O  O38  1  0.348  0.822  0.443  1.0
  O  O39  1  0.848  0.678  0.557  1.0
[/CIF]
.
The crystal structure described by Sc(CO2)3 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in an octahedral geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. In the second Sc site, Sc(2) is bonded in an octahedral geometry to two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms. There are three inequivalent C sites. In the first C site, C(1) is bonded in a bent 120 degrees geometry to one O(1) and one O(3) atom. In the second C site, C(2) is bonded in a bent 120 degrees geometry to one O(2) and one O(4) atom. In the third C site, C(3) is bonded in a bent 120 degrees geometry to one O(5) and one O(6) atom. There are six inequivalent O sites. In the first O site, O(5) is bonded in a bent 150 degrees geometry to one Sc(2) and one C(3) atom. In the second O site, O(6) is bonded in a bent 150 degrees geometry to one Sc(2) and one C(3) atom. In the third O site, O(1) is bonded in a bent 150 degrees geometry to one Sc(1) and one C(1) atom. In the fourth O site, O(2) is bonded in a bent 150 degrees geometry to one Sc(1) and one C(2) atom. In the fifth O site, O(3) is bonded in a bent 150 degrees geometry to one Sc(1) and one C(1) atom. In the sixth O site, O(4) is bonded in a bent 150 degrees geometry to one Sc(2) and one C(2) atom. is represented by the CIF file [CIF]
data_Sc(CO2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.784
_cell_length_b   9.287
_cell_length_c   10.576
_cell_angle_alpha   80.805
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   657.776
_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
  Sc  Sc0  1  0.500  0.500  0.000  1.0
  Sc  Sc1  1  0.000  0.000  0.000  1.0
  Sc  Sc2  1  0.000  0.500  0.500  1.0
  Sc  Sc3  1  0.500  0.000  0.500  1.0
  C  C4  1  0.598  0.845  0.937  1.0
  C  C5  1  0.098  0.655  0.063  1.0
  C  C6  1  0.402  0.155  0.063  1.0
  C  C7  1  0.902  0.345  0.937  1.0
  C  C8  1  0.698  0.418  0.286  1.0
  C  C9  1  0.198  0.082  0.714  1.0
  C  C10  1  0.302  0.582  0.714  1.0
  C  C11  1  0.802  0.918  0.286  1.0
  C  C12  1  0.714  0.249  0.640  1.0
  C  C13  1  0.214  0.251  0.360  1.0
  C  C14  1  0.286  0.751  0.360  1.0
  C  C15  1  0.786  0.749  0.640  1.0
  O  O16  1  0.603  0.716  0.994  1.0
  O  O17  1  0.103  0.784  0.006  1.0
  O  O18  1  0.397  0.284  0.006  1.0
  O  O19  1  0.897  0.216  0.994  1.0
  O  O20  1  0.586  0.455  0.194  1.0
  O  O21  1  0.086  0.045  0.806  1.0
  O  O22  1  0.414  0.545  0.806  1.0
  O  O23  1  0.914  0.955  0.194  1.0
  O  O24  1  0.715  0.948  0.935  1.0
  O  O25  1  0.215  0.552  0.065  1.0
  O  O26  1  0.285  0.052  0.065  1.0
  O  O27  1  0.785  0.448  0.935  1.0
  O  O28  1  0.787  0.493  0.357  1.0
  O  O29  1  0.287  0.007  0.643  1.0
  O  O30  1  0.213  0.507  0.643  1.0
  O  O31  1  0.713  0.993  0.357  1.0
  O  O32  1  0.827  0.355  0.633  1.0
  O  O33  1  0.327  0.145  0.367  1.0
  O  O34  1  0.173  0.645  0.367  1.0
  O  O35  1  0.673  0.855  0.633  1.0
  O  O36  1  0.652  0.178  0.557  1.0
  O  O37  1  0.152  0.322  0.443  1.0
  O  O38  1  0.348  0.822  0.443  1.0
  O  O39  1  0.848  0.678  0.557  1.0
[/CIF]
.