data_LuAsO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.8
_cell_length_b   5.8
_cell_length_c   5.8
_cell_angle_alpha   106.8
_cell_angle_beta   106.8
_cell_angle_gamma   114.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LuAsO4
_chemical_formula_sum   'Lu2 As2 O8'
_cell_volume   149.2
_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
  Lu  Lu2  1  0.0  0.0  0.12  1.0
  Lu  Lu3  1  0.46  0.0  0.56  1.0
  As  As0  1  0.0  0.46  0.56  1.0
  As  As1  1  0.0  0.0  0.0  1.0
  O  O4  1  0.46  0.28  0.57  1.0
  O  O5  1  0.0  0.18  0.69  1.0
  O  O6  1  0.28  0.0  0.13  1.0
  O  O7  1  0.28  0.46  0.43  1.0
  O  O8  1  0.64  0.0  0.13  1.0
  O  O9  1  0.18  0.0  0.55  1.0
  O  O10  1  0.46  0.82  0.99  1.0
  O  O11  1  0.46  0.18  0.99  1.0

data_LuAsO4
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.8
_cell_length_b   5.8
_cell_length_c   5.8
_cell_angle_alpha   106.8
_cell_angle_beta   106.8
_cell_angle_gamma   114.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LuAsO4
_chemical_formula_sum   'Lu2 As2 O8'
_cell_volume   149.2
_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
  Lu  Lu0  1  0.0  0.0  0.12  1.0
  Lu  Lu1  1  0.46  0.0  0.56  1.0
  As  As2  1  -0.0  0.46  0.56  1.0
  As  As3  1  0.0  0.0  0.0  1.0
  O  O4  1  -0.0  0.18  0.69  1.0
  O  O5  1  0.18  0.0  0.55  1.0
  O  O6  1  0.28  0.46  0.43  1.0
  O  O7  1  0.28  0.0  0.13  1.0
  O  O8  1  0.46  0.28  0.57  1.0
  O  O9  1  0.46  0.82  0.99  1.0
  O  O10  1  0.46  0.18  0.99  1.0
  O  O11  1  0.64  0.0  0.13  1.0

Lu Lu As As O O O O O O O O
Lu Lu As As O O O O O O O O 0 3 o o o 0 6 o o o 0 7 o o o 1 4 o o o 1 9 o o o 2 5 o o o 2 7 o o o 3 5 o o - 3 6 o o o 4 9 o o o 4 7 o o o 5 9 o o o 6 11 o o - 8 10 o - - 8 11 o o - 10 11 o + o 
LuAsO4 crystallizes in the triclinic P1 space group. There are two inequivalent Lu sites. In the first Lu site, Lu(1) is bonded in a distorted single-bond geometry to one As(2), one O(3), one O(4), and one O(5) atom. The Lu(1)-As(2) bond length is 0.69 Å. The Lu(1)-O(3) bond length is 1.60 Å. The Lu(1)-O(4) bond length is 2.20 Å. The Lu(1)-O(5) bond length is 2.13 Å. In the second Lu site, Lu(2) is bonded in a 2-coordinate geometry to one O(1), one O(2), one O(4), one O(6), and one O(8) atom. The Lu(2)-O(1) bond length is 1.60 Å. The Lu(2)-O(2) bond length is 2.63 Å. The Lu(2)-O(4) bond length is 2.63 Å. The Lu(2)-O(6) bond length is 1.60 Å. The Lu(2)-O(8) bond length is 2.40 Å. There are two inequivalent As sites. In the first As site, As(1) is bonded in a distorted rectangular see-saw-like geometry to one O(2), one O(4), one O(5), and one O(7) atom. The As(1)-O(2) bond length is 1.98 Å. The As(1)-O(4) bond length is 1.98 Å. The As(1)-O(5) bond length is 2.47 Å. The As(1)-O(7) bond length is 2.47 Å. In the second As site, As(2) is bonded in a distorted single-bond geometry to one Lu(1), one O(2), and one O(3) atom. The As(2)-O(2) bond length is 2.31 Å. The As(2)-O(3) bond length is 1.58 Å. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one Lu(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Lu(2), one As(1), and one As(2) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Lu(1), one As(2), and one O(8) atom. The O(3)-O(8) bond length is 1.72 Å. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Lu(1), one Lu(2), and one As(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Lu(1), one As(1), and one O(7) atom. The O(5)-O(7) bond length is 0.97 Å. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one Lu(2) atom. In the seventh O site, O(7) is bonded in a 2-coordinate geometry to one As(1) and one O(5) atom. In the eighth O site, O(8) is bonded in a 2-coordinate geometry to one Lu(2) and one O(3) atom.