The material described by MgTm2Se4 crystallizes in the tetragonal I-42d space group. Mg(1) is bonded in a 4-coordinate geometry to eight equivalent Se(1) atoms. Tm(1) is bonded in a 8-coordinate geometry to eight equivalent Se(1) atoms. Se(1) is bonded in a 6-coordinate geometry to two equivalent Mg(1) and four equivalent Tm(1) atoms. is represented by the CIF card [CIF]
data_Tm2MgSe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.481
_cell_length_b   7.481
_cell_length_c   7.481
_cell_angle_alpha   110.390
_cell_angle_beta   110.390
_cell_angle_gamma   107.648
_symmetry_Int_Tables_number   1
_cell_volume   322.010
_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
  Tm  Tm0  1  0.875  0.757  0.382  1.0
  Tm  Tm1  1  0.507  0.125  0.882  1.0
  Tm  Tm2  1  0.375  0.493  0.618  1.0
  Tm  Tm3  1  0.243  0.625  0.118  1.0
  Mg  Mg4  1  0.000  0.000  0.000  1.0
  Mg  Mg5  1  0.750  0.250  0.500  1.0
  Se  Se6  1  0.509  0.379  0.260  1.0
  Se  Se7  1  0.750  0.491  0.870  1.0
  Se  Se8  1  0.119  0.250  0.740  1.0
  Se  Se9  1  0.621  0.881  0.130  1.0
  Se  Se10  1  0.241  0.000  0.370  1.0
  Se  Se11  1  1.000  0.369  0.240  1.0
  Se  Se12  1  0.631  0.871  0.630  1.0
  Se  Se13  1  0.129  0.759  0.760  1.0
[/CIF]
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The material described by MgTm2Se4 crystallizes in the tetragonal I-42d space group. Mg(1) is bonded in a 4-coordinate geometry to eight equivalent Se(1) atoms. Tm(1) is bonded in a 8-coordinate geometry to eight equivalent Se(1) atoms. Se(1) is bonded in a 6-coordinate geometry to two equivalent Mg(1) and four equivalent Tm(1) atoms. is represented by the CIF card [CIF]
data_Tm2MgSe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.481
_cell_length_b   7.481
_cell_length_c   7.481
_cell_angle_alpha   110.390
_cell_angle_beta   110.390
_cell_angle_gamma   107.648
_symmetry_Int_Tables_number   1
_cell_volume   322.010
_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
  Tm  Tm0  1  0.875  0.757  0.382  1.0
  Tm  Tm1  1  0.507  0.125  0.882  1.0
  Tm  Tm2  1  0.375  0.493  0.618  1.0
  Tm  Tm3  1  0.243  0.625  0.118  1.0
  Mg  Mg4  1  0.000  0.000  0.000  1.0
  Mg  Mg5  1  0.750  0.250  0.500  1.0
  Se  Se6  1  0.509  0.379  0.260  1.0
  Se  Se7  1  0.750  0.491  0.870  1.0
  Se  Se8  1  0.119  0.250  0.740  1.0
  Se  Se9  1  0.621  0.881  0.130  1.0
  Se  Se10  1  0.241  0.000  0.370  1.0
  Se  Se11  1  1.000  0.369  0.240  1.0
  Se  Se12  1  0.631  0.871  0.630  1.0
  Se  Se13  1  0.129  0.759  0.760  1.0
[/CIF]
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