data_Cu2_Te_-_65-3460
_chemical_name_systematic 'Copper Telluride'
_chemical_formula_moiety 'Cu2 Te'
_chemical_formula_sum 'Cu2 Te'
_chemical_formula_weight 254.69
_cell_length_a 4.2460
_cell_length_b 4.2460
_cell_length_c 7.2890
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00
_cell_formula_units_Z 2
_cell_volume 113.80
_symmetry_cell_setting hexagonal
_symmetry_space_group_name_H-M P6/mmm
_symmetry_Int_Tables_number 191
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,-y,-z
3 -y,x-y,z
4 y,-x+y,-z
5 -x+y,-x,z
6 x-y,x,-z
7 y,x,z
8 -y,-x,-z
9 -x,-x+y,z
10 x,x-y,-z
11 x-y,-y,z
12 -x+y,y,-z
13 -x,-y,z
14 x,y,-z
15 y,-x+y,z
16 -y,x-y,-z
17 x-y,x,z
18 -x+y,-x,-z
19 -y,-x,z
20 y,x,-z
21 x,x-y,z
22 -x,-x+y,-z
23 -x+y,y,z
24 x-y,-y,-z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_B_iso_or_equiv
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_occupancy
Cu1 Cu 0.33333 0.66666 0.16 0.5 . . 1.0
Te2 Te 0.0 0.0 0.306 0.5 . . 1.0
2021年04月10日 22点04分
3
您有这个PDF卡片的详细信息吗?我想用这个标准卡片来和自己样品的xrd对比,但在jade里搜不到这张卡片...
2021年04月12日 07点04分