The material described by MgNb2Te4OCl10 is Indium-like structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one MgNb2Te4OCl10 cluster. Mg(1) is bonded in a 6-coordinate geometry to one Te(1), one O(1), one Cl(4), one Cl(5), 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 distorted corner-sharing NbCl5O octahedra. The corner-sharing octahedral tilt angles are 12°. 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 12°. 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 a 2-coordinate geometry to one Te(1) and one Te(4) atom. In the third Te site, Te(3) is bonded in an L-shaped geometry to one Te(1) and one Te(4) 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 T-shaped geometry to one Mg(1), one Nb(1), and one Nb(2) atom. There are ten inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a single-bond geometry to 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 single-bond geometry to one Nb(2) atom. In the fourth Cl site, Cl(4) is bonded in a distorted L-shaped geometry to one Mg(1) and one Nb(2) atom. In the fifth Cl site, Cl(5) is bonded in a distorted L-shaped geometry to one Mg(1) and one Nb(2) atom. In the sixth Cl site, Cl(6) is bonded in a single-bond geometry to 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 L-shaped geometry to one Mg(1) and one Nb(1) atom. In the ninth Cl site, Cl(9) is bonded in a distorted L-shaped 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) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgNb2Te4Cl10O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.158
_cell_length_b   9.046
_cell_length_c   9.675
_cell_angle_alpha   82.808
_cell_angle_beta   90.772
_cell_angle_gamma   76.030
_symmetry_Int_Tables_number   1
_cell_volume   602.521
_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  0.399  0.696  0.338  1.0
  Nb  Nb1  1  0.542  0.616  0.649  1.0
  Nb  Nb2  1  0.492  0.338  0.379  1.0
  Te  Te3  1  0.105  0.966  0.184  1.0
  Te  Te4  1  0.061  0.216  0.962  1.0
  Te  Te5  1  0.910  0.819  0.022  1.0
  Te  Te6  1  0.815  0.085  0.831  1.0
  Cl  Cl7  1  0.452  0.195  0.194  1.0
  Cl  Cl8  1  0.406  0.468  0.814  1.0
  Cl  Cl9  1  0.803  0.198  0.441  1.0
  Cl  Cl10  1  0.172  0.529  0.299  1.0
  Cl  Cl11  1  0.606  0.521  0.195  1.0
  Cl  Cl12  1  0.335  0.205  0.538  1.0
  Cl  Cl13  1  0.863  0.473  0.702  1.0
  Cl  Cl14  1  0.656  0.782  0.446  1.0
  Cl  Cl15  1  0.220  0.778  0.551  1.0
  Cl  Cl16  1  0.559  0.810  0.792  1.0
  O  O17  1  0.512  0.495  0.497  1.0
[/CIF]
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The material described by MgNb2Te4OCl10 is Indium-like structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one MgNb2Te4OCl10 cluster. Mg(1) is bonded in a 6-coordinate geometry to one Te(1), one O(1), one Cl(4), one Cl(5), 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 distorted corner-sharing NbCl5O octahedra. The corner-sharing octahedral tilt angles are 12°. 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 12°. 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 a 2-coordinate geometry to one Te(1) and one Te(4) atom. In the third Te site, Te(3) is bonded in an L-shaped geometry to one Te(1) and one Te(4) 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 T-shaped geometry to one Mg(1), one Nb(1), and one Nb(2) atom. There are ten inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a single-bond geometry to 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 single-bond geometry to one Nb(2) atom. In the fourth Cl site, Cl(4) is bonded in a distorted L-shaped geometry to one Mg(1) and one Nb(2) atom. In the fifth Cl site, Cl(5) is bonded in a distorted L-shaped geometry to one Mg(1) and one Nb(2) atom. In the sixth Cl site, Cl(6) is bonded in a single-bond geometry to 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 L-shaped geometry to one Mg(1) and one Nb(1) atom. In the ninth Cl site, Cl(9) is bonded in a distorted L-shaped 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) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgNb2Te4Cl10O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.158
_cell_length_b   9.046
_cell_length_c   9.675
_cell_angle_alpha   82.808
_cell_angle_beta   90.772
_cell_angle_gamma   76.030
_symmetry_Int_Tables_number   1
_cell_volume   602.521
_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  0.399  0.696  0.338  1.0
  Nb  Nb1  1  0.542  0.616  0.649  1.0
  Nb  Nb2  1  0.492  0.338  0.379  1.0
  Te  Te3  1  0.105  0.966  0.184  1.0
  Te  Te4  1  0.061  0.216  0.962  1.0
  Te  Te5  1  0.910  0.819  0.022  1.0
  Te  Te6  1  0.815  0.085  0.831  1.0
  Cl  Cl7  1  0.452  0.195  0.194  1.0
  Cl  Cl8  1  0.406  0.468  0.814  1.0
  Cl  Cl9  1  0.803  0.198  0.441  1.0
  Cl  Cl10  1  0.172  0.529  0.299  1.0
  Cl  Cl11  1  0.606  0.521  0.195  1.0
  Cl  Cl12  1  0.335  0.205  0.538  1.0
  Cl  Cl13  1  0.863  0.473  0.702  1.0
  Cl  Cl14  1  0.656  0.782  0.446  1.0
  Cl  Cl15  1  0.220  0.778  0.551  1.0
  Cl  Cl16  1  0.559  0.810  0.792  1.0
  O  O17  1  0.512  0.495  0.497  1.0
[/CIF]
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