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wobushi512

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zyl2568

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2Â¥2009-11-05 08:31:02
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wobushi512

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3Â¥2009-11-05 14:26:22
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w6y8d0

ÖÁ×ðľ³æ (ÖøÃûдÊÖ)

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eeqeeq0002(½ð±Ò+1,VIP+0):лл ²ÎÓë 11-6 09:30
wobushi512(½ð±Ò+4,VIP+0): 11-11 17:46
data_39566-ICSD
_database_code_ICSD                39566
_audit_creation_date               1993-08-22
_chemical_name_systematic
'Aluminium chloride'
_chemical_formula_structural      
'Al Cl3'
_chemical_formula_sum              
'Al1 Cl3'
_publ_section_title               
'Al1 Cl3'
loop_
_citation_id
_citation_journal_abbrev
_citation_year
_citation_journal_volume
_citation_page_first
_citation_page_last
_citation_journal_id_ASTM
primary 'Zhurnal Neorganicheskoi Khimii' 1992 37 266 272 ZNOKAQ
loop_
_publ_author_name
Troyanov, S.I.
_cell_length_a                     5.914(2)
_cell_length_b                     10.234(3)
_cell_length_c                     6.148(2)
_cell_angle_alpha                  90.
_cell_angle_beta                   108.25(2)
_cell_angle_gamma                  90.
_cell_volume                       353.3808
_cell_formula_units_Z              4.000
_symmetry_space_group_name_H-M     'C 1 2/m 1'
_symmetry_Int_Tables_number        12
_refine_ls_R_factor_all            0.0424
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+1/2, y+1/2, -z'
   6   '-x+1/2, -y+1/2, -z'
   7   'x+1/2, -y+1/2, z'
   8   'x+1/2, y+1/2, z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
Al3+     3.
Cl1-     -1.
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
Al1 Al3+ 4 g 0 0.1662(2) 0 0.96(2) 1.
Cl1 Cl1- 4 i 0.2147(2) 0 0.2263 1.10(2) 1.
Cl2 Cl1- 8 j 0.2482(1) 0.17869(8) -.2248(1) 1.09(1) 1.
#End of data_39566-ICSD
4Â¥2009-11-05 15:54:17
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w6y8d0

ÖÁ×ðľ³æ (ÖøÃûдÊÖ)

¡ï ¡ï ¡ï ¡ï
wobushi512(½ð±Ò+4,VIP+0): 11-11 17:46
data_155670-ICSD
_database_code_ICSD                155670
_audit_creation_date               2007-08-01
_chemical_name_systematic
'Aluminium chloride'
_chemical_formula_structural      
'Al Cl3'
_chemical_formula_sum              
'Al1 Cl3'
_publ_section_title               
'Al1 Cl3'
loop_
_citation_id
_citation_journal_abbrev
_citation_year
_citation_journal_volume
_citation_page_first
_citation_page_last
_citation_journal_id_ASTM
primary 'Zeitschrift fuer Anorg. und Allgemeine C' 1930 193 270 276 ZAACAB
loop_
_publ_author_name
Laschkarew, W.E.
_cell_length_a                     3.475(10)
_cell_length_b                     3.475(10)
_cell_length_c                     8.51(5)
_cell_angle_alpha                  90.
_cell_angle_beta                   90.
_cell_angle_gamma                  120.
_cell_volume                       89.0003
_cell_formula_units_Z              1.000
_symmetry_space_group_name_H-M     'P -3 m 1'
_symmetry_Int_Tables_number        164
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_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'
loop_
_atom_type_symbol
_atom_type_oxidation_number
Al3+     3.
Cl1-     -1.
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
Al1 Al3+ 1 b 0. 0. 0.5 0. 1.
Cl1 Cl1- 1 a 0. 0. 0. 0. 1.
Cl2 Cl1- 2 d 0.3333 0.6667 0.3333 0. 1.
#End of data_155670-ICSD
5Â¥2009-11-05 15:55:05
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zyl2568

½ð³æ (СÓÐÃûÆø)

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Originally posted by zyl2568 at 2009-11-5 08:31:
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6Â¥2009-11-09 17:25:27
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