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MMMMMisaka

捐助贵宾 (初入文坛)

[求助] 求助各位大佬们 想要Ti2AlC 晶体结构的CIF文件? 急求,谢谢大家!!! 已有2人参与

求助各位大佬们 想要Ti2AlC 晶体结构的CIF文件
急求,谢谢大家!!!
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MMMMMisaka

捐助贵宾 (初入文坛)

引用回帖:
4楼: Originally posted by 星火abcd at 2019-05-17 16:16:48
#(C) 2019 by FIZ Karlsruhe - Leibniz Institute for Information Infrastructure.  All rights reserved.
data_184886-ICSD
_database_code_ICSD 184886
_audit_creation_date 2013-02-01
_chemical_name_sys ...

非常感谢!
5楼2019-05-17 17:31:04
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xinren1230

新虫 (初入文坛)

Findit2008软件里面没有嘛?
2楼2019-05-17 16:06:21
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xinren1230

新虫 (初入文坛)

【答案】应助回帖


感谢参与,应助指数 +1
MMMMMisaka: 金币+1, 有帮助 2019-05-17 17:25:58
没有我再帮你去ICSD上找
3楼2019-05-17 16:07:22
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星火abcd

至尊木虫 (著名写手)

【答案】应助回帖

★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★
感谢参与,应助指数 +1
MMMMMisaka: 金币+15, ★★★★★最佳答案 2019-05-17 17:30:55
#(C) 2019 by FIZ Karlsruhe - Leibniz Institute for Information Infrastructure.  All rights reserved.
data_184886-ICSD
_database_code_ICSD 184886
_audit_creation_date 2013-02-01
_chemical_name_systematic 'Titanium aluminium carbide (2/1/1)'
_chemical_formula_structural 'Ti2 Al C'
_chemical_formula_sum 'C1 Al1 Ti2'
_chemical_name_structure_type AlCr2C
_exptl_crystal_density_diffrn 4.03
_publ_section_title

;
Structural investigation of substoichiometry and solid solution effects in Ti2
Al (Cx N1-x)y compounds
;
_publ_section_comment 'Cell and Type only determined'
loop_
_citation_id
_citation_journal_full
_citation_year
_citation_journal_volume
_citation_page_first
_citation_page_last
_citation_journal_id_ASTM
primary 'Journal of the European Ceramic Society' 2012 32 1803 1811 JECSER
loop_
_publ_author_name
'Cabioc'h, T.'
'Eklund, P.'
'Mauchamp, V.'
'Jaouen, M.'
_cell_length_a 3.0625(5)
_cell_length_b 3.0625(5)
_cell_length_c 13.668(1)
_cell_angle_alpha 90.
_cell_angle_beta 90.
_cell_angle_gamma 120.
_cell_volume 111.02
_cell_formula_units_Z 2
_symmetry_space_group_name_H-M 'P 63/m m c'
_symmetry_Int_Tables_number 194
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, x-y, -z+1/2'
2 '-x+y, y, -z+1/2'
3 '-y, -x, -z+1/2'
4 '-x+y, -x, -z+1/2'
5 '-y, x-y, -z+1/2'
6 'x, y, -z+1/2'
7 '-x, -x+y, z+1/2'
8 'x-y, -y, z+1/2'
9 'y, x, z+1/2'
10 'x-y, x, z+1/2'
11 'y, -x+y, z+1/2'
12 '-x, -y, z+1/2'
13 '-x, -x+y, -z'
14 'x-y, -y, -z'
15 'y, x, -z'
16 'x-y, x, -z'
17 'y, -x+y, -z'
18 '-x, -y, -z'
19 'x, x-y, z'
20 '-x+y, y, z'
21 '-y, -x, z'
22 '-x+y, -x, z'
23 '-y, x-y, z'
24 'x, y, z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
Al0+ 0
Ti0+ 0
C0+ 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
_atom_site_attached_hydrogens
Al1 Al0+ 2 d 0.3333 0.6667 0.75 . 1. 0
Ti1 Ti0+ 4 f 0.3333 0.6667 0.086 . 1. 0
C1 C0+ 2 a 0 0 0 . 1. 0
#End of TTdata_184886-ICSD
没有理想
4楼2019-05-17 16:16:48
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