The material described by Tm2Mn12InSn11 crystallizes in the hexagonal P-6m2 space group. Tm(1) is bonded to one Sn(3), one Sn(4), three equivalent Sn(1), and three equivalent Sn(2) atoms to form distorted edge-sharing TmSn8 hexagonal bipyramids. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 6-coordinate geometry to one In(1), one Sn(1), one Sn(2), one Sn(6), and two equivalent Sn(3) atoms. In the second Mn site, Mn(2) is bonded in a 6-coordinate geometry to one Sn(1); one Sn(2); two equivalent Sn(4); and two equivalent Sn(5,7) atoms. In(1) is bonded in a 9-coordinate geometry to six equivalent Mn(1) and three equivalent Sn(6) atoms. There are six inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 9-coordinate geometry to three equivalent Tm(1), three equivalent Mn(1), and three equivalent Mn(2) atoms. In the second Sn site, Sn(2) is bonded in a 9-coordinate geometry to three equivalent Tm(1), three equivalent Mn(1), and three equivalent Mn(2) atoms. In the third Sn site, Sn(3) is bonded in a 7-coordinate geometry to one Tm(1) and six equivalent Mn(1) atoms. In the fourth Sn site, Sn(4) is bonded in a 8-coordinate geometry to one Tm(1), six equivalent Mn(2), and one Sn(4) atom. In the fifth Sn site, Sn(5,7) is bonded in a 6-coordinate geometry to six equivalent Mn(2) atoms. In the sixth Sn site, Sn(6) is bonded in a 9-coordinate geometry to six equivalent Mn(1) and three equivalent In(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Tm2Mn12InSn11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.447
_cell_length_b   5.445
_cell_length_c   18.052
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   60.023
_symmetry_Int_Tables_number   1
_cell_volume   463.822
_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
  Tm  Tm0  1  0.000  1.000  1.000  1.0
  Tm  Tm1  1  0.000  1.000  0.500  1.0
  Mn  Mn2  1  0.500  0.500  0.123  1.0
  Mn  Mn3  1  0.500  0.500  0.623  1.0
  Mn  Mn4  1  0.500  0.000  0.123  1.0
  Mn  Mn5  1  0.500  0.000  0.623  1.0
  Mn  Mn6  1  0.000  0.500  0.123  1.0
  Mn  Mn7  1  0.000  0.500  0.623  1.0
  Mn  Mn8  1  0.500  0.500  0.377  1.0
  Mn  Mn9  1  0.500  0.500  0.877  1.0
  Mn  Mn10  1  0.500  0.000  0.377  1.0
  Mn  Mn11  1  0.500  0.000  0.877  1.0
  Mn  Mn12  1  0.000  0.500  0.377  1.0
  Mn  Mn13  1  0.000  0.500  0.877  1.0
  In  In14  1  0.667  0.667  0.250  1.0
  Sn  Sn15  1  0.667  0.667  0.500  1.0
  Sn  Sn16  1  0.667  0.667  1.000  1.0
  Sn  Sn17  1  0.333  0.333  1.000  1.0
  Sn  Sn18  1  0.333  0.333  0.500  1.0
  Sn  Sn19  1  1.000  1.000  0.167  1.0
  Sn  Sn20  1  0.000  1.000  0.667  1.0
  Sn  Sn21  1  1.000  1.000  0.333  1.0
  Sn  Sn22  1  0.000  1.000  0.833  1.0
  Sn  Sn23  1  0.667  0.667  0.750  1.0
  Sn  Sn24  1  0.333  0.333  0.250  1.0
  Sn  Sn25  1  0.333  0.333  0.750  1.0
[/CIF]
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The material described by Tm2Mn12InSn11 crystallizes in the hexagonal P-6m2 space group. Tm(1) is bonded to one Sn(3), one Sn(4), three equivalent Sn(1), and three equivalent Sn(2) atoms to form distorted edge-sharing TmSn8 hexagonal bipyramids. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 6-coordinate geometry to one In(1), one Sn(1), one Sn(2), one Sn(6), and two equivalent Sn(3) atoms. In the second Mn site, Mn(2) is bonded in a 6-coordinate geometry to one Sn(1); one Sn(2); two equivalent Sn(4); and two equivalent Sn(5,7) atoms. In(1) is bonded in a 9-coordinate geometry to six equivalent Mn(1) and three equivalent Sn(6) atoms. There are six inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 9-coordinate geometry to three equivalent Tm(1), three equivalent Mn(1), and three equivalent Mn(2) atoms. In the second Sn site, Sn(2) is bonded in a 9-coordinate geometry to three equivalent Tm(1), three equivalent Mn(1), and three equivalent Mn(2) atoms. In the third Sn site, Sn(3) is bonded in a 7-coordinate geometry to one Tm(1) and six equivalent Mn(1) atoms. In the fourth Sn site, Sn(4) is bonded in a 8-coordinate geometry to one Tm(1), six equivalent Mn(2), and one Sn(4) atom. In the fifth Sn site, Sn(5,7) is bonded in a 6-coordinate geometry to six equivalent Mn(2) atoms. In the sixth Sn site, Sn(6) is bonded in a 9-coordinate geometry to six equivalent Mn(1) and three equivalent In(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Tm2Mn12InSn11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.447
_cell_length_b   5.445
_cell_length_c   18.052
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   60.023
_symmetry_Int_Tables_number   1
_cell_volume   463.822
_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
  Tm  Tm0  1  0.000  1.000  1.000  1.0
  Tm  Tm1  1  0.000  1.000  0.500  1.0
  Mn  Mn2  1  0.500  0.500  0.123  1.0
  Mn  Mn3  1  0.500  0.500  0.623  1.0
  Mn  Mn4  1  0.500  0.000  0.123  1.0
  Mn  Mn5  1  0.500  0.000  0.623  1.0
  Mn  Mn6  1  0.000  0.500  0.123  1.0
  Mn  Mn7  1  0.000  0.500  0.623  1.0
  Mn  Mn8  1  0.500  0.500  0.377  1.0
  Mn  Mn9  1  0.500  0.500  0.877  1.0
  Mn  Mn10  1  0.500  0.000  0.377  1.0
  Mn  Mn11  1  0.500  0.000  0.877  1.0
  Mn  Mn12  1  0.000  0.500  0.377  1.0
  Mn  Mn13  1  0.000  0.500  0.877  1.0
  In  In14  1  0.667  0.667  0.250  1.0
  Sn  Sn15  1  0.667  0.667  0.500  1.0
  Sn  Sn16  1  0.667  0.667  1.000  1.0
  Sn  Sn17  1  0.333  0.333  1.000  1.0
  Sn  Sn18  1  0.333  0.333  0.500  1.0
  Sn  Sn19  1  1.000  1.000  0.167  1.0
  Sn  Sn20  1  0.000  1.000  0.667  1.0
  Sn  Sn21  1  1.000  1.000  0.333  1.0
  Sn  Sn22  1  0.000  1.000  0.833  1.0
  Sn  Sn23  1  0.667  0.667  0.750  1.0
  Sn  Sn24  1  0.333  0.333  0.250  1.0
  Sn  Sn25  1  0.333  0.333  0.750  1.0
[/CIF]
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