The structure described by Ba2Sc2B4O11 crystallizes in the monoclinic C2/c space group. Ba(1) is bonded in a 7-coordinate geometry to one O(1), two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form edge-sharing ScO6 octahedra. In the second Sc site, Sc(2) is bonded in an octahedral geometry to two equivalent O(2), two equivalent O(4), and two equivalent O(5) 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(5), and one O(6) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(2), one O(3), and one O(4) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Ba(1), one Sc(1), and one B(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to two equivalent Ba(1), one Sc(2), and one B(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Sc(1) and one B(2) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to two equivalent Ba(1), one Sc(2), and one B(2) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to two equivalent Ba(1), one Sc(2), and one B(1) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to two equivalent B(1) atoms. is represented by the CIF file [CIF]
data_Ba2Sc2B4O11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.377
_cell_length_b   9.377
_cell_length_c   6.424
_cell_angle_alpha   81.308
_cell_angle_beta   81.308
_cell_angle_gamma   60.599
_symmetry_Int_Tables_number   1
_cell_volume   484.518
_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
  Ba  Ba0  1  0.472  0.803  0.575  1.0
  Ba  Ba1  1  0.803  0.472  0.075  1.0
  Ba  Ba2  1  0.197  0.528  0.925  1.0
  Ba  Ba3  1  0.528  0.197  0.425  1.0
  Sc  Sc4  1  0.000  0.000  0.500  1.0
  Sc  Sc5  1  0.500  0.000  0.000  1.0
  Sc  Sc6  1  0.000  0.500  0.500  1.0
  Sc  Sc7  1  0.000  0.000  0.000  1.0
  B  B8  1  0.279  0.620  0.412  1.0
  B  B9  1  0.380  0.721  0.088  1.0
  B  B10  1  0.829  0.831  0.255  1.0
  B  B11  1  0.171  0.169  0.745  1.0
  B  B12  1  0.169  0.171  0.245  1.0
  B  B13  1  0.831  0.829  0.755  1.0
  B  B14  1  0.721  0.380  0.588  1.0
  B  B15  1  0.620  0.279  0.912  1.0
  O  O16  1  0.786  0.234  0.502  1.0
  O  O17  1  0.333  0.071  0.265  1.0
  O  O18  1  0.072  0.102  0.206  1.0
  O  O19  1  0.095  0.337  0.263  1.0
  O  O20  1  0.762  0.502  0.521  1.0
  O  O21  1  0.663  0.905  0.237  1.0
  O  O22  1  0.071  0.333  0.765  1.0
  O  O23  1  0.898  0.928  0.294  1.0
  O  O24  1  0.905  0.663  0.737  1.0
  O  O25  1  0.414  0.586  0.250  1.0
  O  O26  1  0.238  0.498  0.479  1.0
  O  O27  1  0.928  0.898  0.794  1.0
  O  O28  1  0.586  0.414  0.750  1.0
  O  O29  1  0.498  0.238  0.979  1.0
  O  O30  1  0.102  0.072  0.706  1.0
  O  O31  1  0.929  0.667  0.235  1.0
  O  O32  1  0.766  0.214  0.998  1.0
  O  O33  1  0.214  0.766  0.498  1.0
  O  O34  1  0.234  0.786  0.002  1.0
  O  O35  1  0.337  0.095  0.763  1.0
  O  O36  1  0.502  0.762  0.021  1.0
  O  O37  1  0.667  0.929  0.735  1.0
[/CIF]
.
The structure described by Ba2Sc2B4O11 crystallizes in the monoclinic C2/c space group. Ba(1) is bonded in a 7-coordinate geometry to one O(1), two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form edge-sharing ScO6 octahedra. In the second Sc site, Sc(2) is bonded in an octahedral geometry to two equivalent O(2), two equivalent O(4), and two equivalent O(5) 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(5), and one O(6) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(2), one O(3), and one O(4) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Ba(1), one Sc(1), and one B(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to two equivalent Ba(1), one Sc(2), and one B(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Sc(1) and one B(2) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to two equivalent Ba(1), one Sc(2), and one B(2) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to two equivalent Ba(1), one Sc(2), and one B(1) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to two equivalent B(1) atoms. is represented by the CIF file [CIF]
data_Ba2Sc2B4O11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.377
_cell_length_b   9.377
_cell_length_c   6.424
_cell_angle_alpha   81.308
_cell_angle_beta   81.308
_cell_angle_gamma   60.599
_symmetry_Int_Tables_number   1
_cell_volume   484.518
_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
  Ba  Ba0  1  0.472  0.803  0.575  1.0
  Ba  Ba1  1  0.803  0.472  0.075  1.0
  Ba  Ba2  1  0.197  0.528  0.925  1.0
  Ba  Ba3  1  0.528  0.197  0.425  1.0
  Sc  Sc4  1  0.000  0.000  0.500  1.0
  Sc  Sc5  1  0.500  0.000  0.000  1.0
  Sc  Sc6  1  0.000  0.500  0.500  1.0
  Sc  Sc7  1  0.000  0.000  0.000  1.0
  B  B8  1  0.279  0.620  0.412  1.0
  B  B9  1  0.380  0.721  0.088  1.0
  B  B10  1  0.829  0.831  0.255  1.0
  B  B11  1  0.171  0.169  0.745  1.0
  B  B12  1  0.169  0.171  0.245  1.0
  B  B13  1  0.831  0.829  0.755  1.0
  B  B14  1  0.721  0.380  0.588  1.0
  B  B15  1  0.620  0.279  0.912  1.0
  O  O16  1  0.786  0.234  0.502  1.0
  O  O17  1  0.333  0.071  0.265  1.0
  O  O18  1  0.072  0.102  0.206  1.0
  O  O19  1  0.095  0.337  0.263  1.0
  O  O20  1  0.762  0.502  0.521  1.0
  O  O21  1  0.663  0.905  0.237  1.0
  O  O22  1  0.071  0.333  0.765  1.0
  O  O23  1  0.898  0.928  0.294  1.0
  O  O24  1  0.905  0.663  0.737  1.0
  O  O25  1  0.414  0.586  0.250  1.0
  O  O26  1  0.238  0.498  0.479  1.0
  O  O27  1  0.928  0.898  0.794  1.0
  O  O28  1  0.586  0.414  0.750  1.0
  O  O29  1  0.498  0.238  0.979  1.0
  O  O30  1  0.102  0.072  0.706  1.0
  O  O31  1  0.929  0.667  0.235  1.0
  O  O32  1  0.766  0.214  0.998  1.0
  O  O33  1  0.214  0.766  0.498  1.0
  O  O34  1  0.234  0.786  0.002  1.0
  O  O35  1  0.337  0.095  0.763  1.0
  O  O36  1  0.502  0.762  0.021  1.0
  O  O37  1  0.667  0.929  0.735  1.0
[/CIF]
.