MatText

P1 Tc (1a) Cl[Tc]12(Cl)[Mo][Tc]2[Mo]1 Mo (1a) Cl[Tc]1[Tc][Mo]21[Tc][Tc]2 Cl (1a) Cl[Tc][Mo][Tc] Tc (1a) [Mo]1[Tc]2[Tc]1[Mo]2

ClMoTc2

data_Tc2MoCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.93 _cell_length_b 4.08 _cell_length_c 5.2 _cell_angle_alpha 90.0 _cell_angle_beta 90.0 _cell_angle_gamma 90.0 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tc2MoCl _chemical_formula_sum 'Tc2 Mo1 Cl1' _cell_volume 62.07 _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 Tc Tc2 …

data_Tc2MoCl _symmetry_space_group_name_H-M P1 _cell_length_a 2.93 _cell_length_b 4.08 _cell_length_c 5.2 _cell_angle_alpha 90.0 _cell_angle_beta 90.0 _cell_angle_gamma 90.0 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tc2MoCl _chemical_formula_sum 'Tc2 Mo1 Cl1' _cell_volume 62.07 _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 Tc Tc0 1 …

Tc Tc Mo Cl 2.93 4.08 5.2 90 90 90

Tc Tc Mo Cl

2.9 4.1 5.2 90 90 90 Tc 0.46 0.04 0.80 Tc 0.46 0.04 0.39 Mo 0.00 0.00 0.60 Cl 0.00 0.00 0.00

orthorhombic

Tc Tc Mo Cl 0 2 o o o 0 2 + o o 0 3 o o + 0 3 + o + 0 1 o o o 1 2 o o o 1 2 + o o 2 3 o o +

Tc Tc 1 2.1 Mo 1 1.7 2 53 Cl 2 2.4 3 95 1 180

JvWD1R29Dx9Gljwh1dEVX79DkC6k

R3m Cd (1a) [Mo]1[Sc]2[Hf]3[Cd]4561[Hf]2[Sc]([Mo]4)[Hf]6[Sc]3[Mo]5.[Mo].[Hf] Sc (1a) [Sc]#[Mo] Mo (1a) [Sc]#[Mo] Hf (1a) [Sc]1[Mo]2[Cd]3[Hf]4561[Cd]2[Mo]([Sc]4)[Cd]6[Mo]3[Sc]5.[Sc].[Cd]

CdHfMoSc

data_HfScCdMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.81 _cell_length_b 4.81 _cell_length_c 4.81 _cell_angle_alpha 60.0 _cell_angle_beta 60.0 _cell_angle_gamma 60.0 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfScCdMo _chemical_formula_sum 'Hf1 Sc1 Cd1 Mo1' _cell_volume 78.77 _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 Hf …

data_HfScCdMo _symmetry_space_group_name_H-M R3m _cell_length_a 4.81 _cell_length_b 4.81 _cell_length_c 11.79 _cell_angle_alpha 90.0 _cell_angle_beta 90.0 _cell_angle_gamma 120.0 _symmetry_Int_Tables_number 160 _chemical_formula_structural HfScCdMo _chemical_formula_sum 'Hf3 Sc3 Cd3 Mo3' _cell_volume 236.32 _cell_formula_units_Z 3 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' 2 '-y, x-y, z' 3 '-x+y, -x, z' 4 '-y, -x, z' 5 '-x+y, y, z' 6 'x, x-y, z' 7 'x+1/3, y+2/3, z+2/3' 8 '-y+1/3, x-y+2/3, z+2/3' 9 '-x+y+1/3, -x+ …

Hf Sc Cd Mo 4.81 4.81 4.81 60 60 60

Hf Sc Cd Mo

4.8 4.8 4.8 59 59 59 Hf 0.70 0.70 0.70 Sc 0.00 0.00 0.00 Cd 0.40 0.40 0.40 Mo 0.10 0.10 0.10

cubic

Hf Sc Cd Mo 0 2 o o + 0 2 o + o 0 2 + o o 0 3 o + + 0 3 + o + 0 3 + + o 0 1 o + + 0 1 + o + 0 1 + + o 1 3 o o o 1 2 o o - 1 2 o - o 1 2 - o o 2 3 o o + 2 3 o + o 2 3 + o o

Hf Sc 1 8.2 Cd 1 3.5 2 0 Mo 2 1.2 3 0 1 0

ScHfMoCd crystallizes in the trigonal R3m space group. Sc(1) is bonded in a single-bond geometry to four equivalent Hf(1), one Mo(1), and three equivalent Cd(1) atoms. There are three shorter (2.81 Å) and one longer (3.52 Å) Sc(1)-Hf(1) bond length. The Sc(1)-Mo(1) bond length is 1.22 Å. All Sc(1)-Cd(1) bond lengths are 2.89 Å. Hf(1) is bonded in a 11-coordinate geometry to four equivalent Sc(1), three equivalent Mo(1), and four equivalent Cd(1) atoms. All Hf(1)-Mo(1) bond lengths are 2.89 Å. There are three shorter (2.81 Å) and one longer (3.52 Å) Hf(1)-Cd(1) bond length. Mo(1) is bonded in a …

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