The compound described by Mg2Nb2AgO8 crystallizes in the triclinic P-1 space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 6-coordinate geometry to one O(6), one O(7), two equivalent O(5), and two equivalent O(8) atoms. In the second Mg site, Mg(2) is bonded in a 6-coordinate geometry to one O(5), one O(8), two equivalent O(6), and two equivalent O(7) atoms. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(5), one O(6), and one O(8) atom. In the second Nb site, Nb(2) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(4), one O(5), one O(6), and one O(7) atom. Ag(1) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms to form edge-sharing AgO6 octahedra. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Nb(1), one Nb(2), and one Ag(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Nb(1), one Nb(2), and one Ag(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Nb(1) and two equivalent Ag(1) atoms. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Nb(2) and two equivalent Ag(1) atoms. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Mg(2), two equivalent Mg(1), one Nb(1), and one Nb(2) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Mg(1), two equivalent Mg(2), one Nb(1), and one Nb(2) atom. In the seventh O site, O(7) is bonded to one Mg(1), two equivalent Mg(2), and one Nb(2) atom to form a mixture of edge and corner-sharing OMg3Nb trigonal pyramids. In the eighth O site, O(8) is bonded to one Mg(2), two equivalent Mg(1), and one Nb(1) atom to form a mixture of edge and corner-sharing OMg3Nb trigonal pyramids. is represented by the CIF card [CIF]
data_Mg2Nb2AgO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.248
_cell_length_b   6.165
_cell_length_c   10.403
_cell_angle_alpha   105.666
_cell_angle_beta   91.576
_cell_angle_gamma   90.545
_symmetry_Int_Tables_number   1
_cell_volume   323.890
_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
  Mg  Mg0  1  0.249  0.868  0.459  1.0
  Mg  Mg1  1  0.254  0.414  0.545  1.0
  Mg  Mg2  1  0.751  0.132  0.541  1.0
  Mg  Mg3  1  0.746  0.586  0.455  1.0
  Nb  Nb4  1  0.269  0.038  0.756  1.0
  Nb  Nb5  1  0.236  0.291  0.246  1.0
  Nb  Nb6  1  0.731  0.962  0.244  1.0
  Nb  Nb7  1  0.764  0.709  0.754  1.0
  Ag  Ag8  1  0.252  0.668  0.001  1.0
  Ag  Ag9  1  0.748  0.332  0.999  1.0
  O  O10  1  0.945  0.012  0.838  1.0
  O  O11  1  0.561  0.194  0.161  1.0
  O  O12  1  0.055  0.988  0.162  1.0
  O  O13  1  0.439  0.806  0.839  1.0
  O  O14  1  0.424  0.287  0.873  1.0
  O  O15  1  0.083  0.430  0.126  1.0
  O  O16  1  0.576  0.713  0.127  1.0
  O  O17  1  0.917  0.570  0.874  1.0
  O  O18  1  0.550  0.912  0.620  1.0
  O  O19  1  0.954  0.298  0.384  1.0
  O  O20  1  0.624  0.449  0.614  1.0
  O  O21  1  0.879  0.840  0.389  1.0
  O  O22  1  0.376  0.551  0.386  1.0
  O  O23  1  0.121  0.160  0.611  1.0
  O  O24  1  0.046  0.702  0.616  1.0
  O  O25  1  0.450  0.088  0.380  1.0
[/CIF]
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The compound described by Mg2Nb2AgO8 crystallizes in the triclinic P-1 space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 6-coordinate geometry to one O(6), one O(7), two equivalent O(5), and two equivalent O(8) atoms. In the second Mg site, Mg(2) is bonded in a 6-coordinate geometry to one O(5), one O(8), two equivalent O(6), and two equivalent O(7) atoms. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(5), one O(6), and one O(8) atom. In the second Nb site, Nb(2) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(4), one O(5), one O(6), and one O(7) atom. Ag(1) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms to form edge-sharing AgO6 octahedra. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Nb(1), one Nb(2), and one Ag(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Nb(1), one Nb(2), and one Ag(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Nb(1) and two equivalent Ag(1) atoms. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Nb(2) and two equivalent Ag(1) atoms. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Mg(2), two equivalent Mg(1), one Nb(1), and one Nb(2) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Mg(1), two equivalent Mg(2), one Nb(1), and one Nb(2) atom. In the seventh O site, O(7) is bonded to one Mg(1), two equivalent Mg(2), and one Nb(2) atom to form a mixture of edge and corner-sharing OMg3Nb trigonal pyramids. In the eighth O site, O(8) is bonded to one Mg(2), two equivalent Mg(1), and one Nb(1) atom to form a mixture of edge and corner-sharing OMg3Nb trigonal pyramids. is represented by the CIF card [CIF]
data_Mg2Nb2AgO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.248
_cell_length_b   6.165
_cell_length_c   10.403
_cell_angle_alpha   105.666
_cell_angle_beta   91.576
_cell_angle_gamma   90.545
_symmetry_Int_Tables_number   1
_cell_volume   323.890
_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
  Mg  Mg0  1  0.249  0.868  0.459  1.0
  Mg  Mg1  1  0.254  0.414  0.545  1.0
  Mg  Mg2  1  0.751  0.132  0.541  1.0
  Mg  Mg3  1  0.746  0.586  0.455  1.0
  Nb  Nb4  1  0.269  0.038  0.756  1.0
  Nb  Nb5  1  0.236  0.291  0.246  1.0
  Nb  Nb6  1  0.731  0.962  0.244  1.0
  Nb  Nb7  1  0.764  0.709  0.754  1.0
  Ag  Ag8  1  0.252  0.668  0.001  1.0
  Ag  Ag9  1  0.748  0.332  0.999  1.0
  O  O10  1  0.945  0.012  0.838  1.0
  O  O11  1  0.561  0.194  0.161  1.0
  O  O12  1  0.055  0.988  0.162  1.0
  O  O13  1  0.439  0.806  0.839  1.0
  O  O14  1  0.424  0.287  0.873  1.0
  O  O15  1  0.083  0.430  0.126  1.0
  O  O16  1  0.576  0.713  0.127  1.0
  O  O17  1  0.917  0.570  0.874  1.0
  O  O18  1  0.550  0.912  0.620  1.0
  O  O19  1  0.954  0.298  0.384  1.0
  O  O20  1  0.624  0.449  0.614  1.0
  O  O21  1  0.879  0.840  0.389  1.0
  O  O22  1  0.376  0.551  0.386  1.0
  O  O23  1  0.121  0.160  0.611  1.0
  O  O24  1  0.046  0.702  0.616  1.0
  O  O25  1  0.450  0.088  0.380  1.0
[/CIF]
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