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#(C) 2020 by FIZ Karlsruhe - Leibniz Institute for Information Infrastructure. All rights reserved.
data_64703-ICSD
_database_code_ICSD 64703
_audit_creation_date 1997-11-10
_audit_update_record 2006-04-01
_chemical_name_common Bismuth
_chemical_formula_structural Bi
_chemical_formula_sum Bi1
_chemical_name_structure_type As
_chemical_name_mineral Bismuth
_exptl_crystal_density_diffrn 9.81
_diffrn_ambient_temperature 298.
_citation_title
'The crystal structure of Bi and of solid solutions of Pb, Sn, Sb and Te in Bi'
loop_
_citation_id
_citation_journal_full
_citation_year
_citation_journal_volume
_citation_page_first
_citation_page_last
_citation_journal_id_ASTM
primary 'Acta Crystallographica' 1962 15 865 872 ACCRA9
loop_
_citation_author_citation_id
_citation_author_name
primary 'Cucka, P.'
primary 'Barrett, C.S.'
_cell_length_a 4.546(2)
_cell_length_b 4.546(2)
_cell_length_c 11.862(6)
_cell_angle_alpha 90.
_cell_angle_beta 90.
_cell_angle_gamma 120.
_cell_volume 212.3
_cell_formula_units_Z 6
_space_group_name_H-M_alt 'R -3 m H'
_space_group_IT_number 166
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x-y, -y, -z'
2 '-x, -x+y, -z'
3 'y, x, -z'
4 'x-y, x, -z'
5 'y, -x+y, -z'
6 '-x, -y, -z'
7 '-x+y, y, z'
8 'x, x-y, z'
9 '-y, -x, z'
10 '-x+y, -x, z'
11 '-y, x-y, z'
12 'x, y, z'
13 'x-y+2/3, -y+1/3, -z+1/3'
14 '-x+2/3, -x+y+1/3, -z+1/3'
15 'y+2/3, x+1/3, -z+1/3'
16 'x-y+2/3, x+1/3, -z+1/3'
17 'y+2/3, -x+y+1/3, -z+1/3'
18 '-x+2/3, -y+1/3, -z+1/3'
19 '-x+y+2/3, y+1/3, z+1/3'
20 'x+2/3, x-y+1/3, z+1/3'
21 '-y+2/3, -x+1/3, z+1/3'
22 '-x+y+2/3, -x+1/3, z+1/3'
23 '-y+2/3, x-y+1/3, z+1/3'
24 'x+2/3, y+1/3, z+1/3'
25 'x-y+1/3, -y+2/3, -z+2/3'
26 '-x+1/3, -x+y+2/3, -z+2/3'
27 'y+1/3, x+2/3, -z+2/3'
28 'x-y+1/3, x+2/3, -z+2/3'
29 'y+1/3, -x+y+2/3, -z+2/3'
30 '-x+1/3, -y+2/3, -z+2/3'
31 '-x+y+1/3, y+2/3, z+2/3'
32 'x+1/3, x-y+2/3, z+2/3'
33 '-y+1/3, -x+2/3, z+2/3'
34 '-x+y+1/3, -x+2/3, z+2/3'
35 '-y+1/3, x-y+2/3, z+2/3'
36 'x+1/3, y+2/3, z+2/3'
loop_
_atom_type_symbol
_atom_type_oxidation_number
Bi0+ 0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_B_iso_or_equiv
_atom_site_occupancy
Bi1 Bi0+ 6 c 0 0 0.23389(2) 1.114(26) 1.
#End of TTdata_64703-ICSD |
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