|
|
【答案】应助回帖
★
drg1984(金币+1, CMEI+1): 谢谢回帖交流！ 2011-06-11 11:45:45
data_4432-ICSD
#?2010 by Fachinformationszentrum Karlsruhe, and the U.S. Secretary of
#Commerce on behalf of the United States. All rights reserved.
_database_code_ICSD 4432
_audit_creation_date 1980/01/01
_audit_update_record 2007/08/01
_chemical_name_systematic 'Disodium Sulfate(IV)'
_chemical_formula_structural 'Na2 (S O3)'
_chemical_formula_sum 'Na2 O3 S1'
_publ_section_title
;
The crystal structure of sodium sulphite
;
loop_
_citation_id
_citation_journal_abbrev
_citation_year
_citation_journal_volume
_citation_page_first
_citation_page_last
_citation_journal_id_ASTM
primary 'Acta Chemica Scandinavica (1-27,1973-42,1988)' 1969 23 2253 2260 ACSAA4
2 'Powder Diffraction' 1986 1 265 275 PODIE2
_publ_author_name 'Larsson, L.O.;Kierkegaard, P.'
_cell_length_a 5.4587(5)
_cell_length_b 5.4587(4)
_cell_length_c 6.1792(23)
_cell_angle_alpha 90.
_cell_angle_beta 90.
_cell_angle_gamma 120.
_cell_volume 159.46
_cell_formula_units_Z 2
_symmetry_space_group_name_H-M 'P -3'
_symmetry_Int_Tables_number 147
_refine_ls_R_factor_all .064
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x-y, x, -z'
2 'y, -x+y, -z'
3 '-x, -y, -z'
4 '-x+y, -x, z'
5 '-y, x-y, z'
6 'x, y, z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
Na1+ 1
O2- -2
S4+ 4
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
_atom_site_B_iso_or_equiv
Na1 Na1+ 1 a 0 0 0 1. 0 0.282
Na2 Na1+ 1 b 0 0 0.5 1. 0 2.32
Na3 Na1+ 2 d 0.3333 0.6666 0.6667(6) 1. 0 3.44
S1 S4+ 2 d 0.3333 0.6666 0.1730(3) 1. 0 2.06
O1 O2- 6 g 0.1313(10) 0.3820(7) 0.2683(6) 1. 0 0
#End of data_4432-ICSD |
|
回复此楼
点击这里搜索更多相关资源