data_Nb4Ag2O11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.24
_cell_length_b   13.24
_cell_length_c   13.24
_cell_angle_alpha   27.35
_cell_angle_beta   27.35
_cell_angle_gamma   27.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb4Ag2O11
_chemical_formula_sum   'Nb8 Ag4 O22'
_cell_volume   432.6
_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
  Nb  Nb0  1  0.0  0.0  0.15  1.0
  Nb  Nb1  1  0.0  0.0  0.26  1.0
  Nb  Nb2  1  0.83  0.37  0.35  1.0
  Nb  Nb3  1  1.0  0.8  0.35  1.0
  Nb  Nb4  1  0.18  0.83  0.35  1.0
  Nb  Nb5  1  0.13  0.61  0.98  1.0
  Nb  Nb6  1  0.82  0.21  0.98  1.0
  Nb  Nb7  1  0.04  0.18  0.98  1.0
  Ag  Ag8  1  0.0  0.0  0.56  1.0
  Ag  Ag9  1  0.0  0.0  0.67  1.0
  Ag  Ag10  1  0.0  0.0  0.65  1.0
  Ag  Ag11  1  0.0  0.0  0.76  1.0
  O  O12  1  0.49  0.3  0.21  1.0
  O  O13  1  0.23  0.55  0.21  1.0
  O  O14  1  0.28  0.16  0.21  1.0
  O  O15  1  0.9  0.35  0.84  1.0
  O  O16  1  0.72  0.54  0.84  1.0
  O  O17  1  0.38  0.11  0.84  1.0
  O  O18  1  0.0  0.0  0.55  1.0
  O  O19  1  0.0  0.0  0.66  1.0
  O  O20  1  0.0  0.0  0.41  1.0
  O  O21  1  0.0  0.0  0.52  1.0
  O  O22  1  0.68  0.43  0.24  1.0
  O  O23  1  0.79  0.78  0.24  1.0
  O  O24  1  0.53  0.79  0.24  1.0
  O  O25  1  0.34  0.59  0.87  1.0
  O  O26  1  0.47  0.18  0.87  1.0
  O  O27  1  0.19  0.24  0.87  1.0
  O  O28  1  0.66  0.9  0.21  1.0
  O  O29  1  0.25  0.48  0.21  1.0
  O  O30  1  0.09  0.61  0.21  1.0
  O  O31  1  0.75  0.87  0.84  1.0
  O  O32  1  0.78  0.42  0.84  1.0
  O  O33  1  0.47  0.71  0.84  1.0

data_Nb4Ag2O11
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.26
_cell_length_b   6.26
_cell_length_c   13.24
_cell_angle_alpha   76.33
_cell_angle_beta   76.33
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb4Ag2O11
_chemical_formula_sum   'Nb8 Ag4 O22'
_cell_volume   432.6
_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
  Nb  Nb0  1  0.0  0.74  0.26  1.0
  Nb  Nb1  1  0.0  0.85  0.15  1.0
  Nb  Nb2  1  0.17  0.65  0.36  1.0
  Nb  Nb3  1  0.2  0.65  0.15  1.0
  Nb  Nb4  1  0.39  0.02  0.72  1.0
  Nb  Nb5  1  0.63  0.65  0.55  1.0
  Nb  Nb6  1  0.79  0.02  0.02  1.0
  Nb  Nb7  1  0.82  0.02  0.2  1.0
  Ag  Ag8  1  0.0  0.24  0.76  1.0
  Ag  Ag9  1  0.0  0.33  0.67  1.0
  Ag  Ag10  1  0.0  0.35  0.65  1.0
  Ag  Ag11  1  0.0  0.44  0.56  1.0
  O  O12  1  0.0  0.34  0.66  1.0
  O  O13  1  0.0  0.45  0.55  1.0
  O  O14  1  0.0  0.48  0.52  1.0
  O  O15  1  0.0  0.59  0.41  1.0
  O  O16  1  0.1  0.79  0.78  1.0
  O  O17  1  0.13  0.16  0.46  1.0
  O  O18  1  0.21  0.76  0.56  1.0
  O  O19  1  0.22  0.76  0.8  1.0
  O  O20  1  0.29  0.16  0.03  1.0
  O  O21  1  0.39  0.79  0.91  1.0
  O  O22  1  0.41  0.13  0.79  1.0
  O  O23  1  0.45  0.79  0.98  1.0
  O  O24  1  0.46  0.16  0.1  1.0
  O  O25  1  0.52  0.79  0.95  1.0
  O  O26  1  0.57  0.76  0.35  1.0
  O  O27  1  0.58  0.16  0.04  1.0
  O  O28  1  0.65  0.16  0.1  1.0
  O  O29  1  0.7  0.79  0.0  1.0
  O  O30  1  0.76  0.13  0.29  1.0
  O  O31  1  0.82  0.13  0.51  1.0
  O  O32  1  0.84  0.79  0.64  1.0
  O  O33  1  0.89  0.16  0.32  1.0

Nb Nb Nb Nb Nb Nb Nb Nb Ag Ag Ag Ag O O O O O O O O O O O O O O O O O O O O O O
Nb Nb Nb Nb Nb Nb Nb Nb Ag Ag Ag Ag O O O O O O O O O O O O O O O O O O O O O O 0 3 - - o 0 1 o o o 0 7 o o - 1 3 - - o 1 4 o - o 1 7 o o - 1 22 - o o 2 21 + o o 2 18 + o o 2 8 + o o 2 24 o o o 2 14 + o o 2 22 o o o 4 20 o + o 4 22 o o o 5 25 o o o 5 14 o o + 6 32 o o o 6 15 o o o 6 12 o o + 7 27 o o o 7 22 - o + 8 18 o o o 8 14 o o o 8 21 o o o 8 31 - - o 9 19 o o o 9 11 o o o 9 14 o o o 10 19 o o o 10 14 o o o 11 19 o o o 12 29 o o o 12 13 o o o 13 29 o o o 13 30 o o o 14 21 o o o 14 18 o o o 14 19 o o o 14 24 o - o 14 28 o - o 14 26 o o - 15 32 o o o 16 32 o o o 16 33 o o o 17 27 o o o 17 26 o o o 18 21 o o o 18 31 - - o 20 21 o o o 20 22 - o o 20 31 - - o 21 31 - - o 22 27 + o - 22 24 o o o 22 31 o o - 23 28 o o o 24 26 o + - 24 31 o o - 24 28 o o o 26 31 o - o 29 30 o o o 32 33 o o o 
Ag2Nb4O11 crystallizes in the triclinic P1 space group. There are eight inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a 5-coordinate geometry to one Nb(2), one Nb(4), one Nb(7), one Nb(8), and one O(4) atom. The Nb(1)-Nb(2) bond length is 1.46 Å. The Nb(1)-Nb(4) bond length is 1.26 Å. The Nb(1)-Nb(7) bond length is 2.17 Å. The Nb(1)-Nb(8) bond length is 1.29 Å. The Nb(1)-O(4) bond length is 2.23 Å. In the second Nb site, Nb(2) is bonded in a 7-coordinate geometry to one Nb(1), one Nb(4), one Nb(5), one Nb(8), one O(11), one O(16), and one O(9) atom. The Nb(2)-Nb(4) bond length is 1.73 Å. The Nb(2)-Nb(5) bond length is 1.68 Å. The Nb(2)-Nb(8) bond length is 1.64 Å. The Nb(2)-O(11) bond length is 2.60 Å. The Nb(2)-O(16) bond length is 2.23 Å. The Nb(2)-O(9) bond length is 1.96 Å. In the third Nb site, Nb(3) is bonded in a 4-coordinate geometry to one O(10), one O(11), one O(13), one O(15), and one O(3) atom. The Nb(3)-O(10) bond length is 2.00 Å. The Nb(3)-O(11) bond length is 2.69 Å. The Nb(3)-O(13) bond length is 2.34 Å. The Nb(3)-O(15) bond length is 2.94 Å. The Nb(3)-O(3) bond length is 2.58 Å. In the fourth Nb site, Nb(4) is bonded in a 3-coordinate geometry to one Nb(1), one Nb(2), one O(2), and one O(5) atom. The Nb(4)-O(2) bond length is 2.60 Å. The Nb(4)-O(5) bond length is 2.79 Å. In the fifth Nb site, Nb(5) is bonded in a single-bond geometry to one Nb(2), one O(11), one O(6), and one O(9) atom. The Nb(5)-O(11) bond length is 2.91 Å. The Nb(5)-O(6) bond length is 2.76 Å. The Nb(5)-O(9) bond length is 1.28 Å. In the sixth Nb site, Nb(6) is bonded in a distorted single-bond geometry to one Ag(4), one O(12), one O(14), one O(19), and one O(3) atom. The Nb(6)-Ag(4) bond length is 2.14 Å. The Nb(6)-O(12) bond length is 2.27 Å. The Nb(6)-O(14) bond length is 1.39 Å. The Nb(6)-O(19) bond length is 2.60 Å. The Nb(6)-O(3) bond length is 2.52 Å. In the seventh Nb site, Nb(7) is bonded in a 3-coordinate geometry to one Nb(1), one O(1), one O(21), and one O(4) atom. The Nb(7)-O(1) bond length is 1.83 Å. The Nb(7)-O(21) bond length is 1.15 Å. The Nb(7)-O(4) bond length is 1.36 Å. In the eighth Nb site, Nb(8) is bonded in a 2-coordinate geometry to one Nb(1), one Nb(2), one O(11), one O(16), and one O(4) atom. The Nb(8)-O(11) bond length is 2.87 Å. The Nb(8)-O(16) bond length is 1.38 Å. The Nb(8)-O(4) bond length is 1.75 Å. There are four inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a single-bond geometry to one O(3) and one O(7) atom. The Ag(1)-O(3) bond length is 2.35 Å. The Ag(1)-O(7) bond length is 0.08 Å. In the second Ag site, Ag(2) is bonded in a single-bond geometry to one Ag(4) and one O(8) atom. The Ag(2)-Ag(4) bond length is 1.15 Å. The Ag(2)-O(8) bond length is 0.08 Å. In the third Ag site, Ag(3) is bonded in a single-bond geometry to one O(3) and one O(8) atom. The Ag(3)-O(3) bond length is 2.39 Å. The Ag(3)-O(8) bond length is 0.23 Å. In the fourth Ag site, Ag(4) is bonded in a 5-coordinate geometry to one Nb(6), one Ag(2), one O(12), one O(14), and one O(17) atom. The Ag(4)-O(12) bond length is 2.57 Å. The Ag(4)-O(14) bond length is 2.48 Å. The Ag(4)-O(17) bond length is 2.57 Å. There are twenty-two inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one Nb(7) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Nb(4), one O(18), and one O(19) atom. The O(2)-O(18) bond length is 0.51 Å. The O(2)-O(19) bond length is 1.13 Å. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Nb(3), one Nb(6), one Ag(1), and one Ag(3) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Nb(1), one Nb(7), one Nb(8), and one O(21) atom. The O(4)-O(21) bond length is 0.91 Å. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Nb(4), one O(21), and one O(22) atom. The O(5)-O(21) bond length is 0.94 Å. The O(5)-O(22) bond length is 1.63 Å. In the sixth O site, O(6) is bonded in a distorted L-shaped geometry to one Nb(5) and one O(16) atom. The O(6)-O(16) bond length is 1.10 Å. In the seventh O site, O(7) is bonded in a single-bond geometry to one Ag(1) and one O(10) atom. The O(7)-O(10) bond length is 0.46 Å. In the eighth O site, O(8) is bonded in a linear geometry to one Ag(2) and one Ag(3) atom. In the ninth O site, O(9) is bonded in a distorted single-bond geometry to one Nb(2), one Nb(5), and one O(10) atom. The O(9)-O(10) bond length is 1.46 Å. In the tenth O site, O(10) is bonded in a distorted T-shaped geometry to one Nb(3), one O(7), and one O(9) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Nb(2), one Nb(3), one Nb(5), and one Nb(8) atom. In the twelfth O site, O(12) is bonded in a distorted bent 120 degrees geometry to one Nb(6), one Ag(4), one O(17), and one O(19) atom. The O(12)-O(17) bond length is 0.85 Å. The O(12)-O(19) bond length is 2.07 Å. In the thirteenth O site, O(13) is bonded in a single-bond geometry to one Nb(3) atom. In the fourteenth O site, O(14) is bonded in a single-bond geometry to one Nb(6) and one Ag(4) atom. In the fifteenth O site, O(15) is bonded in an L-shaped geometry to one Nb(3) and one O(20) atom. The O(15)-O(20) bond length is 1.95 Å. In the sixteenth O site, O(16) is bonded in a distorted single-bond geometry to one Nb(2), one Nb(8), and one O(6) atom. In the seventeenth O site, O(17) is bonded in a distorted L-shaped geometry to one Ag(4) and one O(12) atom. In the eighteenth O site, O(18) is bonded in a single-bond geometry to one O(19) and one O(2) atom. The O(18)-O(19) bond length is 1.05 Å. In the nineteenth O site, O(19) is bonded in a 4-coordinate geometry to one Nb(6), one O(12), one O(18), and one O(2) atom. In the twentieth O site, O(20) is bonded in a 1-coordinate geometry to one O(15) atom. In the twenty-first O site, O(21) is bonded in a 3-coordinate geometry to one Nb(7), one O(4), and one O(5) atom. In the twenty-second O site, O(22) is bonded in a distorted single-bond geometry to one O(5) atom.