data_Ag3BO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.28
_cell_length_b   7.28
_cell_length_c   7.28
_cell_angle_alpha   86.66
_cell_angle_beta   86.66
_cell_angle_gamma   86.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ag3BO3
_chemical_formula_sum   'Ag12 B4 O12'
_cell_volume   384.44
_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
  Ag  Ag0  1  0.48  0.49  0.87  1.0
  Ag  Ag1  1  0.95  0.88  0.09  1.0
  Ag  Ag2  1  0.47  0.4  0.87  1.0
  Ag  Ag3  1  0.47  0.48  0.24  1.0
  Ag  Ag4  1  0.95  0.89  0.46  1.0
  Ag  Ag5  1  0.48  0.39  0.24  1.0
  Ag  Ag6  1  0.52  0.61  0.09  1.0
  Ag  Ag7  1  0.05  0.11  0.87  1.0
  Ag  Ag8  1  0.53  0.52  0.09  1.0
  Ag  Ag9  1  0.53  0.6  0.46  1.0
  Ag  Ag10  1  0.05  0.12  0.24  1.0
  Ag  Ag11  1  0.52  0.51  0.46  1.0
  B  B12  1  0.0  0.0  0.65  1.0
  B  B13  1  0.0  0.0  0.01  1.0
  B  B14  1  0.0  0.0  0.32  1.0
  B  B15  1  0.0  0.0  0.68  1.0
  O  O16  1  0.64  0.55  0.24  1.0
  O  O17  1  0.38  0.83  0.09  1.0
  O  O18  1  0.26  0.17  0.02  1.0
  O  O19  1  0.26  0.72  0.09  1.0
  O  O20  1  0.38  0.06  0.02  1.0
  O  O21  1  0.64  0.23  0.31  1.0
  O  O22  1  0.36  0.77  0.02  1.0
  O  O23  1  0.62  0.94  0.31  1.0
  O  O24  1  0.74  0.28  0.24  1.0
  O  O25  1  0.74  0.83  0.31  1.0
  O  O26  1  0.62  0.17  0.24  1.0
  O  O27  1  0.36  0.45  0.09  1.0

data_Ag3BO3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   7.28
_cell_length_b   7.28
_cell_length_c   7.28
_cell_angle_alpha   86.66
_cell_angle_beta   86.66
_cell_angle_gamma   86.66
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Ag3BO3
_chemical_formula_sum   'Ag12 B4 O12'
_cell_volume   384.44
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  Ag  Ag0  2  0.11  0.05  0.21  1.0
  Ag  Ag1  2  0.12  0.05  0.57  1.0
  Ag  Ag2  2  0.39  0.48  0.57  1.0
  Ag  Ag3  2  0.4  0.47  0.21  1.0
  Ag  Ag4  2  0.48  0.47  0.57  1.0
  Ag  Ag5  2  0.49  0.48  0.21  1.0
  B  B6  2  0.0  0.0  0.01  1.0
  B  B7  2  0.0  0.0  0.35  1.0
  O  O8  2  0.06  0.38  0.35  1.0
  O  O9  2  0.17  0.26  0.35  1.0
  O  O10  2  0.17  0.62  0.57  1.0
  O  O11  2  0.23  0.64  0.65  1.0
  O  O12  2  0.28  0.74  0.57  1.0
  O  O13  2  0.45  0.36  0.43  1.0

Ag Ag Ag Ag Ag Ag Ag Ag Ag Ag Ag Ag B B B B O O O O O O O O O O O O
Ag Ag Ag Ag Ag Ag Ag Ag Ag Ag Ag Ag B B B B O O O O O O O O O O O O 0 2 o o o 1 13 + + o 3 5 o o o 3 16 o o o 3 27 o o o 4 14 + + o 5 16 o o o 5 27 o o o 6 8 o o o 6 16 o o o 6 27 o o o 7 13 o o + 8 16 o o o 8 27 o o o 9 11 o o o 10 14 o o o 12 15 o o o 17 22 o o o 18 20 o o o 19 22 o o o 21 26 o o o 21 24 o o o 23 25 o o o 
Ag3BO3 crystallizes in the triclinic P-1 space group. There are six inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a 2-coordinate geometry to one Ag(3) and one O(1) atom. The Ag(1)-Ag(3) bond length is 0.66 Å. The Ag(1)-O(1) bond length is 1.78 Å. In the second Ag site, Ag(2) is bonded in a distorted rectangular see-saw-like geometry to two equivalent B(2), one O(3), and one O(4) atom. There is one shorter (1.11 Å) and one longer (1.97 Å) Ag(2)-B(2) bond length. The Ag(2)-O(3) bond length is 2.15 Å. The Ag(2)-O(4) bond length is 2.45 Å. In the third Ag site, Ag(3) is bonded in a 2-coordinate geometry to one Ag(1), one O(1), and one O(3) atom. The Ag(3)-O(1) bond length is 1.79 Å. The Ag(3)-O(3) bond length is 2.52 Å. In the fourth Ag site, Ag(4) is bonded in a 4-coordinate geometry to one Ag(4), one Ag(6), and two equivalent O(1) atoms. The Ag(4)-Ag(4) bond length is 1.14 Å. The Ag(4)-Ag(6) bond length is 0.66 Å. There is one shorter (1.36 Å) and one longer (1.37 Å) Ag(4)-O(1) bond length. In the fifth Ag site, Ag(5) is bonded in a 3-coordinate geometry to one B(1), one B(2), and one O(3) atom. The Ag(5)-B(1) bond length is 1.72 Å. The Ag(5)-B(2) bond length is 1.30 Å. The Ag(5)-O(3) bond length is 1.96 Å. In the sixth Ag site, Ag(6) is bonded in a 1-coordinate geometry to one Ag(4) and one O(6) atom. The Ag(6)-O(6) bond length is 1.71 Å. There are two inequivalent B sites. In the first B site, B(1) is bonded in a bent 150 degrees geometry to one Ag(5) and one B(1) atom. The B(1)-B(1) bond length is 0.18 Å. In the second B site, B(2) is bonded in a 3-coordinate geometry to one Ag(5) and two equivalent Ag(2) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Ag(1), one Ag(3), and two equivalent Ag(4) atoms. In the second O site, O(2) is bonded in a distorted single-bond geometry to one O(6) atom. The O(2)-O(6) bond length is 0.70 Å. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Ag(2), one Ag(3), one Ag(5), and one O(5) atom. The O(3)-O(5) bond length is 1.14 Å. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one Ag(2) and one O(6) atom. The O(4)-O(6) bond length is 1.01 Å. In the fifth O site, O(5) is bonded in a 1-coordinate geometry to one O(3) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Ag(6), one O(2), and one O(4) atom.