The compound described by Mg3TcH7 crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 6-coordinate geometry to six equivalent H(2) atoms. In the second Mg site, Mg(2) is bonded in a 4-coordinate geometry to one H(1) and three equivalent H(2) atoms. Tc(1) is bonded in an octahedral geometry to six equivalent H(2) atoms. There are two inequivalent H sites. In the first H site, H(1) is bonded in a linear geometry to two equivalent Mg(2) atoms. In the second H site, H(2) is bonded in a 3-coordinate geometry to one Mg(1), one Mg(2), and one Tc(1) atom. is represented by the CIF file [CIF]
data_Mg3TcH7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.807
_cell_length_b   4.807
_cell_length_c   10.459
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.003
_symmetry_Int_Tables_number   1
_cell_volume   209.325
_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
  Mg  Mg0  1  0.000  1.000  0.250  1.0
  Mg  Mg1  1  1.000  0.000  0.750  1.0
  Mg  Mg2  1  0.333  0.667  0.432  1.0
  Mg  Mg3  1  0.667  0.333  0.568  1.0
  Mg  Mg4  1  0.667  0.333  0.932  1.0
  Mg  Mg5  1  0.333  0.667  0.068  1.0
  Tc  Tc6  1  0.000  0.000  0.500  1.0
  Tc  Tc7  1  1.000  0.000  1.000  1.0
  H  H8  1  0.333  0.667  0.250  1.0
  H  H9  1  0.667  0.333  0.750  1.0
  H  H10  1  0.169  0.831  0.902  1.0
  H  H11  1  0.169  0.337  0.902  1.0
  H  H12  1  0.663  0.831  0.902  1.0
  H  H13  1  0.831  0.169  0.098  1.0
  H  H14  1  0.831  0.663  0.098  1.0
  H  H15  1  0.337  0.169  0.098  1.0
  H  H16  1  0.831  0.169  0.402  1.0
  H  H17  1  0.831  0.663  0.402  1.0
  H  H18  1  0.337  0.169  0.402  1.0
  H  H19  1  0.169  0.831  0.598  1.0
  H  H20  1  0.169  0.337  0.598  1.0
  H  H21  1  0.663  0.831  0.598  1.0
[/CIF]
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The compound described by Mg3TcH7 crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 6-coordinate geometry to six equivalent H(2) atoms. In the second Mg site, Mg(2) is bonded in a 4-coordinate geometry to one H(1) and three equivalent H(2) atoms. Tc(1) is bonded in an octahedral geometry to six equivalent H(2) atoms. There are two inequivalent H sites. In the first H site, H(1) is bonded in a linear geometry to two equivalent Mg(2) atoms. In the second H site, H(2) is bonded in a 3-coordinate geometry to one Mg(1), one Mg(2), and one Tc(1) atom. is represented by the CIF file [CIF]
data_Mg3TcH7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.807
_cell_length_b   4.807
_cell_length_c   10.459
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.003
_symmetry_Int_Tables_number   1
_cell_volume   209.325
_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
  Mg  Mg0  1  0.000  1.000  0.250  1.0
  Mg  Mg1  1  1.000  0.000  0.750  1.0
  Mg  Mg2  1  0.333  0.667  0.432  1.0
  Mg  Mg3  1  0.667  0.333  0.568  1.0
  Mg  Mg4  1  0.667  0.333  0.932  1.0
  Mg  Mg5  1  0.333  0.667  0.068  1.0
  Tc  Tc6  1  0.000  0.000  0.500  1.0
  Tc  Tc7  1  1.000  0.000  1.000  1.0
  H  H8  1  0.333  0.667  0.250  1.0
  H  H9  1  0.667  0.333  0.750  1.0
  H  H10  1  0.169  0.831  0.902  1.0
  H  H11  1  0.169  0.337  0.902  1.0
  H  H12  1  0.663  0.831  0.902  1.0
  H  H13  1  0.831  0.169  0.098  1.0
  H  H14  1  0.831  0.663  0.098  1.0
  H  H15  1  0.337  0.169  0.098  1.0
  H  H16  1  0.831  0.169  0.402  1.0
  H  H17  1  0.831  0.663  0.402  1.0
  H  H18  1  0.337  0.169  0.402  1.0
  H  H19  1  0.169  0.831  0.598  1.0
  H  H20  1  0.169  0.337  0.598  1.0
  H  H21  1  0.663  0.831  0.598  1.0
[/CIF]
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