The material described by MgNb4(SnO6)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 5-coordinate geometry to one O(12), one O(4), one O(6), one O(8), and one O(9) atom. There are four inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one O(1), one O(10), one O(11), one O(2), one O(3), and one O(5) atom to form a mixture of edge and corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles range from 30-50°. In the second Nb site, Nb(2) is bonded in a 6-coordinate geometry to one O(1), one O(12), one O(2), one O(4), one O(6), and one O(9) atom. In the third Nb site, Nb(3) is bonded to one O(1), one O(12), one O(3), one O(4), one O(6), and one O(8) atom to form a mixture of edge and corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles range from 34-58°. In the fourth Nb site, Nb(4) is bonded to one O(11), one O(2), one O(3), one O(4), one O(5), and one O(7) atom to form distorted corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles range from 30-58°. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a distorted T-shaped geometry to one O(10), one O(8), and one O(9) atom. In the second Sn site, Sn(2) is bonded in a 3-coordinate geometry to one O(10), one O(11), and one O(7) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Nb(1), one Nb(2), and one Nb(3) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Nb(1), one Nb(2), and one Nb(4) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Nb(1), one Nb(3), and one Nb(4) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Mg(1), one Nb(2), one Nb(3), and one Nb(4) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Nb(1) and one Nb(4) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Mg(1), one Nb(2), and one Nb(3) atom. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to one Nb(4) and one Sn(2) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Mg(1), one Nb(3), and one Sn(1) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Mg(1), one Nb(2), and one Sn(1) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Nb(1), one Sn(1), and one Sn(2) atom. In the eleventh O site, O(11) is bonded in a distorted T-shaped geometry to one Nb(1), one Nb(4), and one Sn(2) atom. In the twelfth O site, O(12) is bonded in a T-shaped geometry to one Mg(1), one Nb(2), and one Nb(3) atom. is represented by the CIF file [CIF]
data_MgNb4(SnO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.124
_cell_length_b   5.756
_cell_length_c   9.534
_cell_angle_alpha   90.000
_cell_angle_beta   106.802
_cell_angle_gamma   91.734
_symmetry_Int_Tables_number   1
_cell_volume   269.095
_cell_formula_units_Z   1
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  0.141  0.774  0.782  1.0
  Nb  Nb1  1  0.396  0.160  0.363  1.0
  Nb  Nb2  1  0.102  0.330  0.654  1.0
  Nb  Nb3  1  0.573  0.863  0.612  1.0
  Nb  Nb4  1  0.894  0.644  0.335  1.0
  Sn  Sn5  1  0.812  0.219  0.965  1.0
  Sn  Sn6  1  0.306  0.784  0.092  1.0
  O  O7  1  0.729  0.180  0.553  1.0
  O  O8  1  0.150  0.347  0.436  1.0
  O  O9  1  0.230  0.837  0.435  1.0
  O  O10  1  0.841  0.668  0.567  1.0
  O  O11  1  0.599  0.412  0.292  1.0
  O  O12  1  0.308  0.058  0.708  1.0
  O  O13  1  0.999  0.609  0.163  1.0
  O  O14  1  0.834  0.929  0.823  1.0
  O  O15  1  0.032  0.420  0.830  1.0
  O  O16  1  0.158  0.098  0.145  1.0
  O  O17  1  0.625  0.892  0.288  1.0
  O  O18  1  0.382  0.586  0.693  1.0
[/CIF]
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The material described by MgNb4(SnO6)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 5-coordinate geometry to one O(12), one O(4), one O(6), one O(8), and one O(9) atom. There are four inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one O(1), one O(10), one O(11), one O(2), one O(3), and one O(5) atom to form a mixture of edge and corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles range from 30-50°. In the second Nb site, Nb(2) is bonded in a 6-coordinate geometry to one O(1), one O(12), one O(2), one O(4), one O(6), and one O(9) atom. In the third Nb site, Nb(3) is bonded to one O(1), one O(12), one O(3), one O(4), one O(6), and one O(8) atom to form a mixture of edge and corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles range from 34-58°. In the fourth Nb site, Nb(4) is bonded to one O(11), one O(2), one O(3), one O(4), one O(5), and one O(7) atom to form distorted corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles range from 30-58°. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a distorted T-shaped geometry to one O(10), one O(8), and one O(9) atom. In the second Sn site, Sn(2) is bonded in a 3-coordinate geometry to one O(10), one O(11), and one O(7) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Nb(1), one Nb(2), and one Nb(3) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Nb(1), one Nb(2), and one Nb(4) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Nb(1), one Nb(3), and one Nb(4) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Mg(1), one Nb(2), one Nb(3), and one Nb(4) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Nb(1) and one Nb(4) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Mg(1), one Nb(2), and one Nb(3) atom. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to one Nb(4) and one Sn(2) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Mg(1), one Nb(3), and one Sn(1) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Mg(1), one Nb(2), and one Sn(1) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Nb(1), one Sn(1), and one Sn(2) atom. In the eleventh O site, O(11) is bonded in a distorted T-shaped geometry to one Nb(1), one Nb(4), and one Sn(2) atom. In the twelfth O site, O(12) is bonded in a T-shaped geometry to one Mg(1), one Nb(2), and one Nb(3) atom. is represented by the CIF file [CIF]
data_MgNb4(SnO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.124
_cell_length_b   5.756
_cell_length_c   9.534
_cell_angle_alpha   90.000
_cell_angle_beta   106.802
_cell_angle_gamma   91.734
_symmetry_Int_Tables_number   1
_cell_volume   269.095
_cell_formula_units_Z   1
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  0.141  0.774  0.782  1.0
  Nb  Nb1  1  0.396  0.160  0.363  1.0
  Nb  Nb2  1  0.102  0.330  0.654  1.0
  Nb  Nb3  1  0.573  0.863  0.612  1.0
  Nb  Nb4  1  0.894  0.644  0.335  1.0
  Sn  Sn5  1  0.812  0.219  0.965  1.0
  Sn  Sn6  1  0.306  0.784  0.092  1.0
  O  O7  1  0.729  0.180  0.553  1.0
  O  O8  1  0.150  0.347  0.436  1.0
  O  O9  1  0.230  0.837  0.435  1.0
  O  O10  1  0.841  0.668  0.567  1.0
  O  O11  1  0.599  0.412  0.292  1.0
  O  O12  1  0.308  0.058  0.708  1.0
  O  O13  1  0.999  0.609  0.163  1.0
  O  O14  1  0.834  0.929  0.823  1.0
  O  O15  1  0.032  0.420  0.830  1.0
  O  O16  1  0.158  0.098  0.145  1.0
  O  O17  1  0.625  0.892  0.288  1.0
  O  O18  1  0.382  0.586  0.693  1.0
[/CIF]
.