The material structure described by MgNb2Te4OCl10 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 4-coordinate geometry to one Te(1), one Cl(1), one Cl(3), one Cl(6), one Cl(8), and one Cl(9) atom. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one O(1), one Cl(10), one Cl(2), one Cl(7), one Cl(8), and one Cl(9) atom to form corner-sharing NbCl5O octahedra. The corner-sharing octahedral tilt angles are 2°. In the second Nb site, Nb(2) is bonded to one O(1), one Cl(1), one Cl(3), one Cl(4), one Cl(5), and one Cl(6) atom to form distorted corner-sharing NbCl5O octahedra. The corner-sharing octahedral tilt angles are 2°. There are four inequivalent Te sites. In the first Te site, Te(1) is bonded in a distorted T-shaped geometry to one Mg(1), one Te(2), and one Te(3) atom. In the second Te site, Te(2) is bonded in an L-shaped geometry to one Te(1) and one Te(4) atom. In the third Te site, Te(3) is bonded in a 3-coordinate geometry to one Te(1), one Te(4), and one Cl(10) atom. In the fourth Te site, Te(4) is bonded in an L-shaped geometry to one Te(2) and one Te(3) atom. O(1) is bonded in a linear geometry to one Nb(1) and one Nb(2) atom. There are ten inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in an L-shaped geometry to one Mg(1) and one Nb(2) atom. In the second Cl site, Cl(2) is bonded in a single-bond geometry to one Nb(1) atom. In the third Cl site, Cl(3) is bonded in a linear geometry to one Mg(1) and one Nb(2) atom. In the fourth Cl site, Cl(4) is bonded in a single-bond geometry to one Nb(2) atom. In the fifth Cl site, Cl(5) is bonded in a single-bond geometry to one Nb(2) atom. In the sixth Cl site, Cl(6) is bonded in a water-like geometry to one Mg(1) and one Nb(2) atom. In the seventh Cl site, Cl(7) is bonded in a single-bond geometry to one Nb(1) atom. In the eighth Cl site, Cl(8) is bonded in a distorted single-bond geometry to one Mg(1) and one Nb(1) atom. In the ninth Cl site, Cl(9) is bonded in a water-like geometry to one Mg(1) and one Nb(1) atom. In the tenth Cl site, Cl(10) is bonded in a single-bond geometry to one Nb(1) and one Te(3) atom. is represented by the CIF card [CIF]
data_MgNb2Te4Cl10O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.723
_cell_length_b   8.931
_cell_length_c   9.802
_cell_angle_alpha   80.142
_cell_angle_beta   86.989
_cell_angle_gamma   73.606
_symmetry_Int_Tables_number   1
_cell_volume   556.249
_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  0.220  0.055  0.421  1.0
  Nb  Nb1  1  0.536  0.640  0.637  1.0
  Nb  Nb2  1  0.485  0.380  0.372  1.0
  Te  Te3  1  0.195  0.891  0.137  1.0
  Te  Te4  1  0.087  0.186  0.974  1.0
  Te  Te5  1  0.888  0.810  0.011  1.0
  Te  Te6  1  0.809  0.094  0.834  1.0
  Cl  Cl7  1  0.408  0.165  0.232  1.0
  Cl  Cl8  1  0.355  0.505  0.801  1.0
  Cl  Cl9  1  0.838  0.184  0.420  1.0
  Cl  Cl10  1  0.145  0.535  0.302  1.0
  Cl  Cl11  1  0.626  0.487  0.170  1.0
  Cl  Cl12  1  0.343  0.209  0.561  1.0
  Cl  Cl13  1  0.868  0.475  0.708  1.0
  Cl  Cl14  1  0.646  0.807  0.449  1.0
  Cl  Cl15  1  0.172  0.823  0.563  1.0
  Cl  Cl16  1  0.547  0.822  0.794  1.0
  O  O17  1  0.515  0.503  0.498  1.0
[/CIF]
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The material structure described by MgNb2Te4OCl10 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 4-coordinate geometry to one Te(1), one Cl(1), one Cl(3), one Cl(6), one Cl(8), and one Cl(9) atom. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one O(1), one Cl(10), one Cl(2), one Cl(7), one Cl(8), and one Cl(9) atom to form corner-sharing NbCl5O octahedra. The corner-sharing octahedral tilt angles are 2°. In the second Nb site, Nb(2) is bonded to one O(1), one Cl(1), one Cl(3), one Cl(4), one Cl(5), and one Cl(6) atom to form distorted corner-sharing NbCl5O octahedra. The corner-sharing octahedral tilt angles are 2°. There are four inequivalent Te sites. In the first Te site, Te(1) is bonded in a distorted T-shaped geometry to one Mg(1), one Te(2), and one Te(3) atom. In the second Te site, Te(2) is bonded in an L-shaped geometry to one Te(1) and one Te(4) atom. In the third Te site, Te(3) is bonded in a 3-coordinate geometry to one Te(1), one Te(4), and one Cl(10) atom. In the fourth Te site, Te(4) is bonded in an L-shaped geometry to one Te(2) and one Te(3) atom. O(1) is bonded in a linear geometry to one Nb(1) and one Nb(2) atom. There are ten inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in an L-shaped geometry to one Mg(1) and one Nb(2) atom. In the second Cl site, Cl(2) is bonded in a single-bond geometry to one Nb(1) atom. In the third Cl site, Cl(3) is bonded in a linear geometry to one Mg(1) and one Nb(2) atom. In the fourth Cl site, Cl(4) is bonded in a single-bond geometry to one Nb(2) atom. In the fifth Cl site, Cl(5) is bonded in a single-bond geometry to one Nb(2) atom. In the sixth Cl site, Cl(6) is bonded in a water-like geometry to one Mg(1) and one Nb(2) atom. In the seventh Cl site, Cl(7) is bonded in a single-bond geometry to one Nb(1) atom. In the eighth Cl site, Cl(8) is bonded in a distorted single-bond geometry to one Mg(1) and one Nb(1) atom. In the ninth Cl site, Cl(9) is bonded in a water-like geometry to one Mg(1) and one Nb(1) atom. In the tenth Cl site, Cl(10) is bonded in a single-bond geometry to one Nb(1) and one Te(3) atom. is represented by the CIF card [CIF]
data_MgNb2Te4Cl10O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.723
_cell_length_b   8.931
_cell_length_c   9.802
_cell_angle_alpha   80.142
_cell_angle_beta   86.989
_cell_angle_gamma   73.606
_symmetry_Int_Tables_number   1
_cell_volume   556.249
_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  0.220  0.055  0.421  1.0
  Nb  Nb1  1  0.536  0.640  0.637  1.0
  Nb  Nb2  1  0.485  0.380  0.372  1.0
  Te  Te3  1  0.195  0.891  0.137  1.0
  Te  Te4  1  0.087  0.186  0.974  1.0
  Te  Te5  1  0.888  0.810  0.011  1.0
  Te  Te6  1  0.809  0.094  0.834  1.0
  Cl  Cl7  1  0.408  0.165  0.232  1.0
  Cl  Cl8  1  0.355  0.505  0.801  1.0
  Cl  Cl9  1  0.838  0.184  0.420  1.0
  Cl  Cl10  1  0.145  0.535  0.302  1.0
  Cl  Cl11  1  0.626  0.487  0.170  1.0
  Cl  Cl12  1  0.343  0.209  0.561  1.0
  Cl  Cl13  1  0.868  0.475  0.708  1.0
  Cl  Cl14  1  0.646  0.807  0.449  1.0
  Cl  Cl15  1  0.172  0.823  0.563  1.0
  Cl  Cl16  1  0.547  0.822  0.794  1.0
  O  O17  1  0.515  0.503  0.498  1.0
[/CIF]
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