The material structure described by Mn3TeO6 crystallizes in the triclinic P1 space group. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(12), one O(4), one O(6), one O(7), and one O(9) atom to form MnO6 octahedra that share corners with two equivalent Te(1)O6 octahedra and corners with four equivalent Te(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-47°. In the second Mn site, Mn(2) is bonded to one O(10), one O(11), one O(2), one O(3), one O(5), and one O(8) atom to form MnO6 octahedra that share corners with two equivalent Te(2)O6 octahedra and corners with four equivalent Te(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-47°. In the third Mn site, Mn(3) is bonded in a 7-coordinate geometry to one O(1), one O(11), one O(12), one O(2), one O(7), one O(8), and one O(9) atom. In the fourth Mn site, Mn(4) is bonded in a 7-coordinate geometry to one O(10), one O(12), one O(3), one O(4), one O(5), one O(6), and one O(9) atom. In the fifth Mn site, Mn(5) is bonded in a 7-coordinate geometry to one O(10), one O(11), one O(3), one O(4), one O(5), one O(6), and one O(9) atom. In the sixth Mn site, Mn(6) is bonded in a 7-coordinate geometry to one O(1), one O(10), one O(11), one O(12), one O(2), one O(7), and one O(8) atom. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded to one O(1), one O(10), one O(11), one O(4), one O(5), and one O(8) atom to form TeO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra and corners with four equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-47°. In the second Te site, Te(2) is bonded to one O(12), one O(2), one O(3), one O(6), one O(7), and one O(9) atom to form TeO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra and corners with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-47°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Mn(1), one Mn(3), one Mn(6), and one Te(1) atom to form a mixture of distorted corner and edge-sharing OMn3Te tetrahedra. In the second O site, O(2) is bonded to one Mn(2), one Mn(3), one Mn(6), and one Te(2) atom to form a mixture of distorted corner and edge-sharing OMn3Te tetrahedra. In the third O site, O(3) is bonded to one Mn(2), one Mn(4), one Mn(5), and one Te(2) atom to form a mixture of distorted corner and edge-sharing OMn3Te tetrahedra. In the fourth O site, O(4) is bonded to one Mn(1), one Mn(4), one Mn(5), and one Te(1) atom to form a mixture of distorted corner and edge-sharing OMn3Te tetrahedra. In the fifth O site, O(5) is bonded to one Mn(2), one Mn(4), one Mn(5), and one Te(1) atom to form a mixture of distorted corner and edge-sharing OMn3Te trigonal pyramids. In the sixth O site, O(6) is bonded to one Mn(1), one Mn(4), one Mn(5), and one Te(2) atom to form a mixture of distorted corner and edge-sharing OMn3Te trigonal pyramids. In the seventh O site, O(7) is bonded to one Mn(1), one Mn(3), one Mn(6), and one Te(2) atom to form a mixture of distorted corner and edge-sharing OMn3Te trigonal pyramids. In the eighth O site, O(8) is bonded to one Mn(2), one Mn(3), one Mn(6), and one Te(1) atom to form a mixture of distorted corner and edge-sharing OMn3Te trigonal pyramids. In the ninth O site, O(9) is bonded in a 5-coordinate geometry to one Mn(1), one Mn(3), one Mn(4), one Mn(5), and one Te(2) atom. In the tenth O site, O(10) is bonded in a 5-coordinate geometry to one Mn(2), one Mn(4), one Mn(5), one Mn(6), and one Te(1) atom. In the eleventh O site, O(11) is bonded in a 5-coordinate geometry to one Mn(2), one Mn(3), one Mn(5), one Mn(6), and one Te(1) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(3), one Mn(4), one Mn(6), and one Te(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mn3TeO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.366
_cell_length_b   5.520
_cell_length_c   7.947
_cell_angle_alpha   90.060
_cell_angle_beta   90.356
_cell_angle_gamma   90.001
_symmetry_Int_Tables_number   1
_cell_volume   235.373
_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
  Mn  Mn0  1  0.999  0.999  0.500  1.0
  Mn  Mn1  1  0.500  0.501  0.998  1.0
  Mn  Mn2  1  0.988  0.453  0.261  1.0
  Mn  Mn3  1  0.013  0.547  0.737  1.0
  Mn  Mn4  1  0.488  0.046  0.762  1.0
  Mn  Mn5  1  0.512  0.953  0.236  1.0
  Te  Te6  1  1.000  0.001  0.000  1.0
  Te  Te7  1  0.500  0.499  0.500  1.0
  O  O8  1  0.128  0.080  0.228  1.0
  O  O9  1  0.373  0.580  0.273  1.0
  O  O10  1  0.627  0.420  0.727  1.0
  O  O11  1  0.872  0.921  0.773  1.0
  O  O12  1  0.169  0.292  0.915  1.0
  O  O13  1  0.330  0.789  0.586  1.0
  O  O14  1  0.669  0.208  0.415  1.0
  O  O15  1  0.830  0.712  0.086  1.0
  O  O16  1  0.197  0.320  0.552  1.0
  O  O17  1  0.304  0.823  0.949  1.0
  O  O18  1  0.698  0.181  0.053  1.0
  O  O19  1  0.804  0.677  0.449  1.0
[/CIF]
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The material structure described by Mn3TeO6 crystallizes in the triclinic P1 space group. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(12), one O(4), one O(6), one O(7), and one O(9) atom to form MnO6 octahedra that share corners with two equivalent Te(1)O6 octahedra and corners with four equivalent Te(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-47°. In the second Mn site, Mn(2) is bonded to one O(10), one O(11), one O(2), one O(3), one O(5), and one O(8) atom to form MnO6 octahedra that share corners with two equivalent Te(2)O6 octahedra and corners with four equivalent Te(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-47°. In the third Mn site, Mn(3) is bonded in a 7-coordinate geometry to one O(1), one O(11), one O(12), one O(2), one O(7), one O(8), and one O(9) atom. In the fourth Mn site, Mn(4) is bonded in a 7-coordinate geometry to one O(10), one O(12), one O(3), one O(4), one O(5), one O(6), and one O(9) atom. In the fifth Mn site, Mn(5) is bonded in a 7-coordinate geometry to one O(10), one O(11), one O(3), one O(4), one O(5), one O(6), and one O(9) atom. In the sixth Mn site, Mn(6) is bonded in a 7-coordinate geometry to one O(1), one O(10), one O(11), one O(12), one O(2), one O(7), and one O(8) atom. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded to one O(1), one O(10), one O(11), one O(4), one O(5), and one O(8) atom to form TeO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra and corners with four equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-47°. In the second Te site, Te(2) is bonded to one O(12), one O(2), one O(3), one O(6), one O(7), and one O(9) atom to form TeO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra and corners with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-47°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Mn(1), one Mn(3), one Mn(6), and one Te(1) atom to form a mixture of distorted corner and edge-sharing OMn3Te tetrahedra. In the second O site, O(2) is bonded to one Mn(2), one Mn(3), one Mn(6), and one Te(2) atom to form a mixture of distorted corner and edge-sharing OMn3Te tetrahedra. In the third O site, O(3) is bonded to one Mn(2), one Mn(4), one Mn(5), and one Te(2) atom to form a mixture of distorted corner and edge-sharing OMn3Te tetrahedra. In the fourth O site, O(4) is bonded to one Mn(1), one Mn(4), one Mn(5), and one Te(1) atom to form a mixture of distorted corner and edge-sharing OMn3Te tetrahedra. In the fifth O site, O(5) is bonded to one Mn(2), one Mn(4), one Mn(5), and one Te(1) atom to form a mixture of distorted corner and edge-sharing OMn3Te trigonal pyramids. In the sixth O site, O(6) is bonded to one Mn(1), one Mn(4), one Mn(5), and one Te(2) atom to form a mixture of distorted corner and edge-sharing OMn3Te trigonal pyramids. In the seventh O site, O(7) is bonded to one Mn(1), one Mn(3), one Mn(6), and one Te(2) atom to form a mixture of distorted corner and edge-sharing OMn3Te trigonal pyramids. In the eighth O site, O(8) is bonded to one Mn(2), one Mn(3), one Mn(6), and one Te(1) atom to form a mixture of distorted corner and edge-sharing OMn3Te trigonal pyramids. In the ninth O site, O(9) is bonded in a 5-coordinate geometry to one Mn(1), one Mn(3), one Mn(4), one Mn(5), and one Te(2) atom. In the tenth O site, O(10) is bonded in a 5-coordinate geometry to one Mn(2), one Mn(4), one Mn(5), one Mn(6), and one Te(1) atom. In the eleventh O site, O(11) is bonded in a 5-coordinate geometry to one Mn(2), one Mn(3), one Mn(5), one Mn(6), and one Te(1) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(3), one Mn(4), one Mn(6), and one Te(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mn3TeO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.366
_cell_length_b   5.520
_cell_length_c   7.947
_cell_angle_alpha   90.060
_cell_angle_beta   90.356
_cell_angle_gamma   90.001
_symmetry_Int_Tables_number   1
_cell_volume   235.373
_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
  Mn  Mn0  1  0.999  0.999  0.500  1.0
  Mn  Mn1  1  0.500  0.501  0.998  1.0
  Mn  Mn2  1  0.988  0.453  0.261  1.0
  Mn  Mn3  1  0.013  0.547  0.737  1.0
  Mn  Mn4  1  0.488  0.046  0.762  1.0
  Mn  Mn5  1  0.512  0.953  0.236  1.0
  Te  Te6  1  1.000  0.001  0.000  1.0
  Te  Te7  1  0.500  0.499  0.500  1.0
  O  O8  1  0.128  0.080  0.228  1.0
  O  O9  1  0.373  0.580  0.273  1.0
  O  O10  1  0.627  0.420  0.727  1.0
  O  O11  1  0.872  0.921  0.773  1.0
  O  O12  1  0.169  0.292  0.915  1.0
  O  O13  1  0.330  0.789  0.586  1.0
  O  O14  1  0.669  0.208  0.415  1.0
  O  O15  1  0.830  0.712  0.086  1.0
  O  O16  1  0.197  0.320  0.552  1.0
  O  O17  1  0.304  0.823  0.949  1.0
  O  O18  1  0.698  0.181  0.053  1.0
  O  O19  1  0.804  0.677  0.449  1.0
[/CIF]
.