data_Yb4As2O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.29
_cell_length_b   8.29
_cell_length_c   8.29
_cell_angle_alpha   148.41
_cell_angle_beta   148.41
_cell_angle_gamma   45.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Yb4As2O
_chemical_formula_sum   'Yb4 As2 O1'
_cell_volume   156.08
_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  Yb3  1  0.0  0.0  0.72  1.0
  Yb  Yb4  1  0.0  0.0  0.59  1.0
  Yb  Yb5  1  0.0  0.26  0.0  1.0
  Yb  Yb6  1  0.26  0.0  0.0  1.0
  As  As1  1  0.0  0.0  0.75  1.0
  As  As2  1  0.0  0.0  0.56  1.0
  O  O0  1  0.0  0.0  0.0  1.0

data_Yb4As2O
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.39
_cell_length_b   6.39
_cell_length_c   8.29
_cell_angle_alpha   90.0
_cell_angle_beta   112.64
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Yb4As2O
_chemical_formula_sum   'Yb8 As4 O2'
_cell_volume   312.16
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  4  0.37  0.37  0.74  1.0
  Yb  Yb1  2  0.09  0.5  0.59  1.0
  Yb  Yb2  2  0.22  0.5  0.72  1.0
  As  As3  2  0.06  0.5  0.56  1.0
  As  As4  2  0.25  0.5  0.75  1.0
  O  O5  2  0.0  0.0  0.0  1.0

Yb Yb Yb Yb As As O
Yb Yb Yb Yb As As O 0 4 o o o 0 2 o o + 0 3 o o + 0 6 o o + 1 5 o o o 2 4 o o - 2 6 o o o 3 4 o o - 3 6 o o o 4 6 o o + 
YbAsYb3AsO crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two arsenic;ytterbium molecules and two Yb3AsO clusters. In each Yb3AsO cluster, there are two inequivalent Yb sites. In the first Yb site, Yb(1) is bonded in a single-bond geometry to one As(1) atom. The Yb(1)-As(1) bond length is 0.24 Å. In the second Yb site, Yb(3) is bonded in a distorted single-bond geometry to one As(1) and one O(1) atom. The Yb(3)-As(1) bond length is 1.15 Å. The Yb(3)-O(1) bond length is 2.14 Å. As(1) is bonded in a distorted single-bond geometry to one Yb(1), two equivalent Yb(3), and one O(1) atom. The As(1)-O(1) bond length is 2.06 Å. O(1) is bonded in a 3-coordinate geometry to two equivalent Yb(3) and one As(1) atom.