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cxn253800

木虫 (著名写手)

[交流] 求助Bi的晶体结构信息

Pearson symbol       Space group    Srtuk designation     Prototype

αBi     hR2                            R3m                     A7                    αAs
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chendy6822

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cxn253800(金币+1):谢谢参与
路过,帮顶!祝楼主顺利!
2楼2009-08-03 16:59:46
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w6y8d0

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cxn253800(金币+1):谢谢参与
cxn253800(金币+14,VIP+0):thank you very much~ 8-3 18:12
data_64705-ICSD
_database_code_ICSD                64705
_audit_creation_date               1997-11-10
_chemical_name_systematic
'Bismuth'
_chemical_formula_structural      
'Bi'
_chemical_formula_sum              
'Bi1'
_publ_section_title               
'Bi1'
loop_
_citation_id
_citation_journal_abbrev
_citation_year
_citation_journal_volume
_citation_page_first
_citation_page_last
_citation_journal_id_ASTM
primary 'Journal of Applied Crystallography' 1969 2 30 36 JACGAR
loop_
_publ_author_name
Cucka, P.;Barrett, C.S.
_cell_length_a                     4.533(3)
_cell_length_b                     4.533(3)
_cell_length_c                     11.797(6)
_cell_angle_alpha                  90.
_cell_angle_beta                   90.
_cell_angle_gamma                  120.
_cell_volume                       209.9307
_cell_formula_units_Z              6.000
_symmetry_space_group_name_H-M     'R -3 m'
_symmetry_Int_Tables_number        166
_refine_ls_R_factor_all            0.0136
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'
  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 0.23407(2) 0.093 1.
#End of data_64705-ICSD
3楼2009-08-03 17:31:09
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江海福萍

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cxn253800(金币+1):谢谢参与
楼主想问什么
4楼2009-08-03 17:32:14
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lizhou691

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三楼的好厉害
5楼2009-08-03 17:54:21
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wenj2377

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路过,帮顶!
6楼2009-08-03 17:54:54
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