The material described by Yb6N8O33 crystallizes in the triclinic P-1 space group. There are three inequivalent Yb sites. In the first Yb site, Yb(1) is bonded in a distorted hexagonal pyramidal geometry to one O(1), one O(11), one O(15), one O(5), one O(6), one O(7), and one O(9) atom. In the second Yb site, Yb(2) is bonded in a 7-coordinate geometry to one O(1), one O(13), one O(16), one O(5), one O(6), one O(8), and one O(9) atom. In the third Yb site, Yb(3) is bonded in a 6-coordinate geometry to one O(12), one O(14), one O(17), one O(2), one O(4), one O(5), and one O(6) atom. There are four inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to one O(10), one O(13), and one O(4) atom. In the second N site, N(2) is bonded in a trigonal planar geometry to one O(11), one O(2), and one O(7) atom. In the third N site, N(3) is bonded in a trigonal planar geometry to one O(14), one O(15), and one O(17) atom. In the fourth N site, N(4) is bonded in a trigonal planar geometry to one O(16), one O(3), and one O(8) atom. There are seventeen inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Yb(1), one Yb(2), and one O(9) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Yb(3) and one N(2) atom. In the third O site, O(3) is bonded in a single-bond geometry to one N(4) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Yb(3) and one N(1) atom. In the fifth O site, O(5) is bonded in a trigonal non-coplanar geometry to one Yb(1), one Yb(2), and one Yb(3) atom. In the sixth O site, O(6) is bonded to one Yb(1), one Yb(2), one Yb(3), and one O(12) atom to form distorted corner-sharing OYb3O trigonal pyramids. In the seventh O site, O(7) is bonded in an L-shaped geometry to one Yb(1) and one N(2) atom. In the eighth O site, O(8) is bonded in a distorted L-shaped geometry to one Yb(2) and one N(4) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Yb(1), one Yb(2), and one O(1) atom. In the tenth O site, O(10) is bonded in a single-bond geometry to one N(1) atom. In the eleventh O site, O(11) is bonded in an L-shaped geometry to one Yb(1) and one N(2) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to two equivalent Yb(3) and two equivalent O(6) atoms. In the thirteenth O site, O(13) is bonded in a distorted bent 150 degrees geometry to one Yb(2) and one N(1) atom. In the fourteenth O site, O(14) is bonded in an L-shaped geometry to one Yb(3) and one N(3) atom. In the fifteenth O site, O(15) is bonded in a bent 120 degrees geometry to one Yb(1) and one N(3) atom. In the sixteenth O site, O(16) is bonded in a distorted L-shaped geometry to one Yb(2) and one N(4) atom. In the seventeenth O site, O(17) is bonded in an L-shaped geometry to one Yb(3) and one N(3) atom. is represented by the CIF card [CIF]
data_Yb6N8O33
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.338
_cell_length_b   9.618
_cell_length_c   10.007
_cell_angle_alpha   114.774
_cell_angle_beta   110.488
_cell_angle_gamma   96.960
_symmetry_Int_Tables_number   1
_cell_volume   725.530
_cell_formula_units_Z   1
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
  Yb  Yb0  1  0.872  0.786  0.648  1.0
  Yb  Yb1  1  0.128  0.214  0.352  1.0
  Yb  Yb2  1  0.785  0.385  0.154  1.0
  Yb  Yb3  1  0.215  0.615  0.846  1.0
  Yb  Yb4  1  0.787  0.344  0.536  1.0
  Yb  Yb5  1  0.213  0.656  0.464  1.0
  N  N6  1  0.740  0.510  0.871  1.0
  N  N7  1  0.260  0.490  0.129  1.0
  N  N8  1  0.888  0.089  0.670  1.0
  N  N9  1  0.112  0.911  0.330  1.0
  N  N10  1  0.539  0.820  0.670  1.0
  N  N11  1  0.461  0.180  0.330  1.0
  N  N12  1  0.452  0.220  0.916  1.0
  N  N13  1  0.548  0.780  0.084  1.0
  O  O14  1  0.732  0.560  0.374  1.0
  O  O15  1  0.268  0.440  0.626  1.0
  O  O16  1  0.897  0.229  0.690  1.0
  O  O17  1  0.103  0.771  0.310  1.0
  O  O18  1  0.311  0.150  0.811  1.0
  O  O19  1  0.689  0.850  0.189  1.0
  O  O20  1  0.677  0.389  0.727  1.0
  O  O21  1  0.323  0.611  0.273  1.0
  O  O22  1  0.949  0.610  0.737  1.0
  O  O23  1  0.051  0.390  0.263  1.0
  O  O24  1  0.111  0.706  0.656  1.0
  O  O25  1  0.889  0.294  0.344  1.0
  O  O26  1  0.782  0.966  0.539  1.0
  O  O27  1  0.218  0.034  0.461  1.0
  O  O28  1  0.531  0.161  0.999  1.0
  O  O29  1  0.469  0.839  0.001  1.0
  O  O30  1  0.848  0.652  0.372  1.0
  O  O31  1  0.152  0.348  0.628  1.0
  O  O32  1  0.722  0.642  0.892  1.0
  O  O33  1  0.278  0.358  0.108  1.0
  O  O34  1  0.014  0.930  0.218  1.0
  O  O35  1  0.986  0.070  0.782  1.0
  O  O36  1  0.000  0.500  0.500  1.0
  O  O37  1  0.822  0.493  0.991  1.0
  O  O38  1  0.178  0.507  0.009  1.0
  O  O39  1  0.485  0.667  0.599  1.0
  O  O40  1  0.515  0.333  0.401  1.0
  O  O41  1  0.689  0.892  0.746  1.0
  O  O42  1  0.311  0.108  0.254  1.0
  O  O43  1  0.528  0.359  0.949  1.0
  O  O44  1  0.472  0.641  0.051  1.0
  O  O45  1  0.439  0.898  0.660  1.0
  O  O46  1  0.561  0.102  0.340  1.0
[/CIF]
.
The material described by Yb6N8O33 crystallizes in the triclinic P-1 space group. There are three inequivalent Yb sites. In the first Yb site, Yb(1) is bonded in a distorted hexagonal pyramidal geometry to one O(1), one O(11), one O(15), one O(5), one O(6), one O(7), and one O(9) atom. In the second Yb site, Yb(2) is bonded in a 7-coordinate geometry to one O(1), one O(13), one O(16), one O(5), one O(6), one O(8), and one O(9) atom. In the third Yb site, Yb(3) is bonded in a 6-coordinate geometry to one O(12), one O(14), one O(17), one O(2), one O(4), one O(5), and one O(6) atom. There are four inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to one O(10), one O(13), and one O(4) atom. In the second N site, N(2) is bonded in a trigonal planar geometry to one O(11), one O(2), and one O(7) atom. In the third N site, N(3) is bonded in a trigonal planar geometry to one O(14), one O(15), and one O(17) atom. In the fourth N site, N(4) is bonded in a trigonal planar geometry to one O(16), one O(3), and one O(8) atom. There are seventeen inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Yb(1), one Yb(2), and one O(9) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Yb(3) and one N(2) atom. In the third O site, O(3) is bonded in a single-bond geometry to one N(4) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Yb(3) and one N(1) atom. In the fifth O site, O(5) is bonded in a trigonal non-coplanar geometry to one Yb(1), one Yb(2), and one Yb(3) atom. In the sixth O site, O(6) is bonded to one Yb(1), one Yb(2), one Yb(3), and one O(12) atom to form distorted corner-sharing OYb3O trigonal pyramids. In the seventh O site, O(7) is bonded in an L-shaped geometry to one Yb(1) and one N(2) atom. In the eighth O site, O(8) is bonded in a distorted L-shaped geometry to one Yb(2) and one N(4) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Yb(1), one Yb(2), and one O(1) atom. In the tenth O site, O(10) is bonded in a single-bond geometry to one N(1) atom. In the eleventh O site, O(11) is bonded in an L-shaped geometry to one Yb(1) and one N(2) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to two equivalent Yb(3) and two equivalent O(6) atoms. In the thirteenth O site, O(13) is bonded in a distorted bent 150 degrees geometry to one Yb(2) and one N(1) atom. In the fourteenth O site, O(14) is bonded in an L-shaped geometry to one Yb(3) and one N(3) atom. In the fifteenth O site, O(15) is bonded in a bent 120 degrees geometry to one Yb(1) and one N(3) atom. In the sixteenth O site, O(16) is bonded in a distorted L-shaped geometry to one Yb(2) and one N(4) atom. In the seventeenth O site, O(17) is bonded in an L-shaped geometry to one Yb(3) and one N(3) atom. is represented by the CIF card [CIF]
data_Yb6N8O33
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.338
_cell_length_b   9.618
_cell_length_c   10.007
_cell_angle_alpha   114.774
_cell_angle_beta   110.488
_cell_angle_gamma   96.960
_symmetry_Int_Tables_number   1
_cell_volume   725.530
_cell_formula_units_Z   1
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
  Yb  Yb0  1  0.872  0.786  0.648  1.0
  Yb  Yb1  1  0.128  0.214  0.352  1.0
  Yb  Yb2  1  0.785  0.385  0.154  1.0
  Yb  Yb3  1  0.215  0.615  0.846  1.0
  Yb  Yb4  1  0.787  0.344  0.536  1.0
  Yb  Yb5  1  0.213  0.656  0.464  1.0
  N  N6  1  0.740  0.510  0.871  1.0
  N  N7  1  0.260  0.490  0.129  1.0
  N  N8  1  0.888  0.089  0.670  1.0
  N  N9  1  0.112  0.911  0.330  1.0
  N  N10  1  0.539  0.820  0.670  1.0
  N  N11  1  0.461  0.180  0.330  1.0
  N  N12  1  0.452  0.220  0.916  1.0
  N  N13  1  0.548  0.780  0.084  1.0
  O  O14  1  0.732  0.560  0.374  1.0
  O  O15  1  0.268  0.440  0.626  1.0
  O  O16  1  0.897  0.229  0.690  1.0
  O  O17  1  0.103  0.771  0.310  1.0
  O  O18  1  0.311  0.150  0.811  1.0
  O  O19  1  0.689  0.850  0.189  1.0
  O  O20  1  0.677  0.389  0.727  1.0
  O  O21  1  0.323  0.611  0.273  1.0
  O  O22  1  0.949  0.610  0.737  1.0
  O  O23  1  0.051  0.390  0.263  1.0
  O  O24  1  0.111  0.706  0.656  1.0
  O  O25  1  0.889  0.294  0.344  1.0
  O  O26  1  0.782  0.966  0.539  1.0
  O  O27  1  0.218  0.034  0.461  1.0
  O  O28  1  0.531  0.161  0.999  1.0
  O  O29  1  0.469  0.839  0.001  1.0
  O  O30  1  0.848  0.652  0.372  1.0
  O  O31  1  0.152  0.348  0.628  1.0
  O  O32  1  0.722  0.642  0.892  1.0
  O  O33  1  0.278  0.358  0.108  1.0
  O  O34  1  0.014  0.930  0.218  1.0
  O  O35  1  0.986  0.070  0.782  1.0
  O  O36  1  0.000  0.500  0.500  1.0
  O  O37  1  0.822  0.493  0.991  1.0
  O  O38  1  0.178  0.507  0.009  1.0
  O  O39  1  0.485  0.667  0.599  1.0
  O  O40  1  0.515  0.333  0.401  1.0
  O  O41  1  0.689  0.892  0.746  1.0
  O  O42  1  0.311  0.108  0.254  1.0
  O  O43  1  0.528  0.359  0.949  1.0
  O  O44  1  0.472  0.641  0.051  1.0
  O  O45  1  0.439  0.898  0.660  1.0
  O  O46  1  0.561  0.102  0.340  1.0
[/CIF]
.