The compound described by NaScB2O5 crystallizes in the monoclinic P2_1/c space group. Na(1) is bonded in a 7-coordinate geometry to one O(3), one O(4), one O(5), two equivalent O(1), and two equivalent O(2) atoms. Sc(1) is bonded to one O(2), one O(5), two equivalent O(3), and two equivalent O(4) atoms to form edge-sharing ScO6 octahedra. 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 trigonal planar geometry to one O(1), one O(4), and one O(5) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to two equivalent Na(1), one B(1), and one B(2) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Na(1), one Sc(1), and one B(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Na(1), two equivalent Sc(1), and one B(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Na(1), two equivalent Sc(1), and one B(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Na(1), one Sc(1), and one B(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaScB2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.884
_cell_length_b   6.000
_cell_length_c   7.296
_cell_angle_alpha   71.453
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   410.159
_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
  Na  Na0  1  0.581  0.301  0.221  1.0
  Na  Na1  1  0.919  0.801  0.221  1.0
  Na  Na2  1  0.081  0.199  0.779  1.0
  Na  Na3  1  0.419  0.699  0.779  1.0
  Sc  Sc4  1  0.828  0.783  0.754  1.0
  Sc  Sc5  1  0.172  0.217  0.246  1.0
  Sc  Sc6  1  0.672  0.283  0.754  1.0
  Sc  Sc7  1  0.328  0.717  0.246  1.0
  B  B8  1  0.620  0.830  0.090  1.0
  B  B9  1  0.120  0.670  0.910  1.0
  B  B10  1  0.380  0.170  0.910  1.0
  B  B11  1  0.905  0.254  0.445  1.0
  B  B12  1  0.595  0.754  0.445  1.0
  B  B13  1  0.880  0.330  0.090  1.0
  B  B14  1  0.095  0.746  0.555  1.0
  B  B15  1  0.405  0.246  0.555  1.0
  O  O16  1  0.331  0.157  0.730  1.0
  O  O17  1  0.499  0.279  0.921  1.0
  O  O18  1  0.705  0.925  0.934  1.0
  O  O19  1  0.831  0.343  0.270  1.0
  O  O20  1  0.331  0.341  0.387  1.0
  O  O21  1  0.959  0.733  0.553  1.0
  O  O22  1  0.169  0.841  0.387  1.0
  O  O23  1  0.001  0.779  0.921  1.0
  O  O24  1  0.669  0.843  0.270  1.0
  O  O25  1  0.795  0.425  0.934  1.0
  O  O26  1  0.669  0.659  0.613  1.0
  O  O27  1  0.041  0.267  0.447  1.0
  O  O28  1  0.541  0.233  0.553  1.0
  O  O29  1  0.501  0.721  0.079  1.0
  O  O30  1  0.459  0.767  0.447  1.0
  O  O31  1  0.205  0.575  0.066  1.0
  O  O32  1  0.295  0.075  0.066  1.0
  O  O33  1  0.999  0.221  0.079  1.0
  O  O34  1  0.169  0.657  0.730  1.0
  O  O35  1  0.831  0.159  0.613  1.0
[/CIF]
.
The compound described by NaScB2O5 crystallizes in the monoclinic P2_1/c space group. Na(1) is bonded in a 7-coordinate geometry to one O(3), one O(4), one O(5), two equivalent O(1), and two equivalent O(2) atoms. Sc(1) is bonded to one O(2), one O(5), two equivalent O(3), and two equivalent O(4) atoms to form edge-sharing ScO6 octahedra. 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 trigonal planar geometry to one O(1), one O(4), and one O(5) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to two equivalent Na(1), one B(1), and one B(2) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Na(1), one Sc(1), and one B(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Na(1), two equivalent Sc(1), and one B(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Na(1), two equivalent Sc(1), and one B(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Na(1), one Sc(1), and one B(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaScB2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.884
_cell_length_b   6.000
_cell_length_c   7.296
_cell_angle_alpha   71.453
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   410.159
_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
  Na  Na0  1  0.581  0.301  0.221  1.0
  Na  Na1  1  0.919  0.801  0.221  1.0
  Na  Na2  1  0.081  0.199  0.779  1.0
  Na  Na3  1  0.419  0.699  0.779  1.0
  Sc  Sc4  1  0.828  0.783  0.754  1.0
  Sc  Sc5  1  0.172  0.217  0.246  1.0
  Sc  Sc6  1  0.672  0.283  0.754  1.0
  Sc  Sc7  1  0.328  0.717  0.246  1.0
  B  B8  1  0.620  0.830  0.090  1.0
  B  B9  1  0.120  0.670  0.910  1.0
  B  B10  1  0.380  0.170  0.910  1.0
  B  B11  1  0.905  0.254  0.445  1.0
  B  B12  1  0.595  0.754  0.445  1.0
  B  B13  1  0.880  0.330  0.090  1.0
  B  B14  1  0.095  0.746  0.555  1.0
  B  B15  1  0.405  0.246  0.555  1.0
  O  O16  1  0.331  0.157  0.730  1.0
  O  O17  1  0.499  0.279  0.921  1.0
  O  O18  1  0.705  0.925  0.934  1.0
  O  O19  1  0.831  0.343  0.270  1.0
  O  O20  1  0.331  0.341  0.387  1.0
  O  O21  1  0.959  0.733  0.553  1.0
  O  O22  1  0.169  0.841  0.387  1.0
  O  O23  1  0.001  0.779  0.921  1.0
  O  O24  1  0.669  0.843  0.270  1.0
  O  O25  1  0.795  0.425  0.934  1.0
  O  O26  1  0.669  0.659  0.613  1.0
  O  O27  1  0.041  0.267  0.447  1.0
  O  O28  1  0.541  0.233  0.553  1.0
  O  O29  1  0.501  0.721  0.079  1.0
  O  O30  1  0.459  0.767  0.447  1.0
  O  O31  1  0.205  0.575  0.066  1.0
  O  O32  1  0.295  0.075  0.066  1.0
  O  O33  1  0.999  0.221  0.079  1.0
  O  O34  1  0.169  0.657  0.730  1.0
  O  O35  1  0.831  0.159  0.613  1.0
[/CIF]
.