The compound described by Ag2Nb4O11 crystallizes in the trigonal R3c space group. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to three equivalent O(1) and three equivalent O(5) atoms to form NbO6 octahedra that share corners with six equivalent Nb(2)O7 pentagonal bipyramids and edges with three equivalent Ag(2)O6 octahedra. In the second Nb site, Nb(2) is bonded to one O(1), one O(2), one O(3), one O(5), and three equivalent O(4) atoms to form distorted NbO7 pentagonal bipyramids that share corners with two equivalent Nb(1)O6 octahedra, corners with two equivalent Ag(2)O6 octahedra, corners with two equivalent Nb(2)O7 pentagonal bipyramids, and edges with four equivalent Nb(2)O7 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 39-75°. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(5) atoms. In the second Ag site, Ag(2) is bonded to three equivalent O(1) and three equivalent O(5) atoms to form distorted AgO6 octahedra that share corners with six equivalent Nb(2)O7 pentagonal bipyramids and edges with three equivalent Nb(1)O6 octahedra. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Nb(1), one Nb(2), one Ag(1), and one Ag(2) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to three equivalent Nb(2) atoms. In the third O site, O(3) is bonded in a trigonal non-coplanar geometry to three equivalent Nb(2) atoms. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to three equivalent Nb(2) atoms. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Nb(1), one Nb(2), one Ag(1), and one Ag(2) atom. is represented by the CIF card [CIF]
data_Nb4Ag2O11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.243
_cell_length_b   13.243
_cell_length_c   13.243
_cell_angle_alpha   27.350
_cell_angle_beta   27.350
_cell_angle_gamma   27.350
_symmetry_Int_Tables_number   1
_cell_volume   432.596
_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  0.004  0.004  0.004  1.0
  Nb  Nb1  1  0.504  0.504  0.504  1.0
  Nb  Nb2  1  0.885  0.622  0.247  1.0
  Nb  Nb3  1  0.622  0.247  0.885  1.0
  Nb  Nb4  1  0.247  0.885  0.622  1.0
  Nb  Nb5  1  0.122  0.385  0.747  1.0
  Nb  Nb6  1  0.747  0.122  0.385  1.0
  Nb  Nb7  1  0.385  0.747  0.122  1.0
  Ag  Ag8  1  0.329  0.329  0.329  1.0
  Ag  Ag9  1  0.829  0.829  0.829  1.0
  Ag  Ag10  1  0.174  0.174  0.174  1.0
  Ag  Ag11  1  0.674  0.674  0.674  1.0
  O  O12  1  0.947  0.717  0.236  1.0
  O  O13  1  0.717  0.236  0.947  1.0
  O  O14  1  0.236  0.947  0.717  1.0
  O  O15  1  0.217  0.447  0.736  1.0
  O  O16  1  0.736  0.217  0.447  1.0
  O  O17  1  0.447  0.736  0.217  1.0
  O  O18  1  0.093  0.093  0.093  1.0
  O  O19  1  0.593  0.593  0.593  1.0
  O  O20  1  0.403  0.403  0.403  1.0
  O  O21  1  0.903  0.903  0.903  1.0
  O  O22  1  0.503  0.992  0.251  1.0
  O  O23  1  0.992  0.251  0.503  1.0
  O  O24  1  0.251  0.503  0.992  1.0
  O  O25  1  0.492  0.003  0.751  1.0
  O  O26  1  0.751  0.492  0.003  1.0
  O  O27  1  0.003  0.751  0.492  1.0
  O  O28  1  0.547  0.255  0.785  1.0
  O  O29  1  0.255  0.785  0.547  1.0
  O  O30  1  0.785  0.547  0.255  1.0
  O  O31  1  0.755  0.047  0.285  1.0
  O  O32  1  0.285  0.755  0.047  1.0
  O  O33  1  0.047  0.285  0.755  1.0
[/CIF]
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The compound described by Ag2Nb4O11 crystallizes in the trigonal R3c space group. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to three equivalent O(1) and three equivalent O(5) atoms to form NbO6 octahedra that share corners with six equivalent Nb(2)O7 pentagonal bipyramids and edges with three equivalent Ag(2)O6 octahedra. In the second Nb site, Nb(2) is bonded to one O(1), one O(2), one O(3), one O(5), and three equivalent O(4) atoms to form distorted NbO7 pentagonal bipyramids that share corners with two equivalent Nb(1)O6 octahedra, corners with two equivalent Ag(2)O6 octahedra, corners with two equivalent Nb(2)O7 pentagonal bipyramids, and edges with four equivalent Nb(2)O7 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 39-75°. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(5) atoms. In the second Ag site, Ag(2) is bonded to three equivalent O(1) and three equivalent O(5) atoms to form distorted AgO6 octahedra that share corners with six equivalent Nb(2)O7 pentagonal bipyramids and edges with three equivalent Nb(1)O6 octahedra. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Nb(1), one Nb(2), one Ag(1), and one Ag(2) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to three equivalent Nb(2) atoms. In the third O site, O(3) is bonded in a trigonal non-coplanar geometry to three equivalent Nb(2) atoms. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to three equivalent Nb(2) atoms. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Nb(1), one Nb(2), one Ag(1), and one Ag(2) atom. is represented by the CIF card [CIF]
data_Nb4Ag2O11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.243
_cell_length_b   13.243
_cell_length_c   13.243
_cell_angle_alpha   27.350
_cell_angle_beta   27.350
_cell_angle_gamma   27.350
_symmetry_Int_Tables_number   1
_cell_volume   432.596
_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  0.004  0.004  0.004  1.0
  Nb  Nb1  1  0.504  0.504  0.504  1.0
  Nb  Nb2  1  0.885  0.622  0.247  1.0
  Nb  Nb3  1  0.622  0.247  0.885  1.0
  Nb  Nb4  1  0.247  0.885  0.622  1.0
  Nb  Nb5  1  0.122  0.385  0.747  1.0
  Nb  Nb6  1  0.747  0.122  0.385  1.0
  Nb  Nb7  1  0.385  0.747  0.122  1.0
  Ag  Ag8  1  0.329  0.329  0.329  1.0
  Ag  Ag9  1  0.829  0.829  0.829  1.0
  Ag  Ag10  1  0.174  0.174  0.174  1.0
  Ag  Ag11  1  0.674  0.674  0.674  1.0
  O  O12  1  0.947  0.717  0.236  1.0
  O  O13  1  0.717  0.236  0.947  1.0
  O  O14  1  0.236  0.947  0.717  1.0
  O  O15  1  0.217  0.447  0.736  1.0
  O  O16  1  0.736  0.217  0.447  1.0
  O  O17  1  0.447  0.736  0.217  1.0
  O  O18  1  0.093  0.093  0.093  1.0
  O  O19  1  0.593  0.593  0.593  1.0
  O  O20  1  0.403  0.403  0.403  1.0
  O  O21  1  0.903  0.903  0.903  1.0
  O  O22  1  0.503  0.992  0.251  1.0
  O  O23  1  0.992  0.251  0.503  1.0
  O  O24  1  0.251  0.503  0.992  1.0
  O  O25  1  0.492  0.003  0.751  1.0
  O  O26  1  0.751  0.492  0.003  1.0
  O  O27  1  0.003  0.751  0.492  1.0
  O  O28  1  0.547  0.255  0.785  1.0
  O  O29  1  0.255  0.785  0.547  1.0
  O  O30  1  0.785  0.547  0.255  1.0
  O  O31  1  0.755  0.047  0.285  1.0
  O  O32  1  0.285  0.755  0.047  1.0
  O  O33  1  0.047  0.285  0.755  1.0
[/CIF]
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