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【答案】应助回帖
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感谢参与，应助指数 +1
zhaoj07: 金币+100, ★★★★★最佳答案 2015-03-01 19:38:24
这个是带4个水的，不带水的没有。
data_23705-ICSD
_database_code_ICSD 23705
_audit_creation_date 1986/10/15
_chemical_name_systematic
;
Hydrogentetrachloroaurate(III) Tetrahydrate
;
_chemical_formula_structural 'H Au Cl4 (H2 O)4'
_chemical_formula_sum 'H9 Au1 Cl4 O4'
_publ_section_title
;
Muclear Magnetic Resonance of the Aquated Proton. II. Chloroauric
Acid Tetrahydrate. Phase Transitions and Molecular Motion
;
loop_
_citation_id
_citation_journal_abbrev
_citation_year
_citation_journal_volume
_citation_page_first
_citation_page_last
_citation_journal_id_ASTM
primary 'Journal of Chemical Physics' 1971 55 5629 5635 JCPSA6
_publ_author_name
;
O'Reilly, D.E.;Peterson, E.M.;Scheie, C.E.;Williams, J.M.
;
_cell_length_a 11.78
_cell_length_b 4.62
_cell_length_c 8.89
_cell_angle_alpha 90.
_cell_angle_beta 101.9
_cell_angle_gamma 90.
_cell_volume 473.43
_cell_formula_units_Z 2
_symmetry_space_group_name_H-M 'C 1 2/m 1'
_symmetry_Int_Tables_number 12
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 '-x, y, -z'
2 '-x, -y, -z'
3 'x, -y, z'
4 'x, y, z'
5 '-x+.5, y+.5, -z'
6 '-x+.5, -y+.5, -z'
7 'x+.5, -y+.5, z'
8 'x+.5, y+.5, z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
Au3+ 3
Cl1- -1
H1+ 1
O2- -2
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_occupancy
_atom_site_attached_hydrogens
Au1 Au3+ 2 a 0 0 0 1. 0
Cl1 Cl1- 4 i 0.0658 0 0.2602 1. 0
Cl2 Cl1- 8 j 0.1388 0.3296 -.0286 0.5 0
O1 O2- 4 i 0.389 0 0.4539 1. 2
O2 O2- 4 i 0.2848 0.5 0.3284 1. 2
H1 H1+ 4 i 0.4752 0 0.4797 0.5 0
H2 H1+ 8 j 0.3555 0.1765 0.3962 1. 0
H3 H1+ 4 i 0.2652 0.5 0.2251 1. 0
H4 H1+ 4 i 0.209 0.5 0.3401 1. 0
#End of data_23705-ICSD |
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