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ActaLab_SUTD

新虫 (初入文坛)

[求助] 求助ICSD号为159907晶体(GeTe)CIF文件,或者CIF数据也行 已有1人参与

求助ICSD号为159907晶体(GeTe)CIF文件,或者CIF数据也行
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anatta1

铁杆木虫 (正式写手)

【答案】应助回帖

★ ★ ★ ★ ★ ★ ★ ★ ★ ★
感谢参与,应助指数 +1
ActaLab_SUTD: 金币+10, ★★★★★最佳答案, 谢谢,我后来也装了个FindIt找到这个晶体了。 2016-02-25 17:06:21
#(C) 2015 by Fachinformationszentrum Karlsruhe.  All rights reserved.
data_159907-ICSD
_database_code_ICSD 159907
_audit_creation_date 2008-08-01
_chemical_name_systematic 'Germanium telluride (1/1)'
_chemical_formula_structural 'Ge Te'
_chemical_formula_sum 'Ge1 Te1'
_chemical_name_structure_type GeTe(subcell)
_exptl_crystal_density_diffrn 6.23
_publ_section_title
'Crystal structure of Ge Te and Ge2 Sb2 Te5 meta-stable phase'
loop_
_citation_id
_citation_journal_full
_citation_year
_citation_journal_volume
_citation_page_first
_citation_page_last
_citation_journal_id_ASTM
primary 'Thin Solid Films' 2000 370 258 261 THSFAP
loop_
_publ_author_name
'Nonaka, T.'
'Ohbayashi, G.'
'Toriumi, Y.'
'Mori, Y.'
'Hashimoto, H.'
_cell_length_a 4.2810(5)
_cell_length_b 4.2810(5)
_cell_length_c 4.2810(5)
_cell_angle_alpha 58.358
_cell_angle_beta 58.358
_cell_angle_gamma 58.358
_cell_volume 53.39
_cell_formula_units_Z 1
_symmetry_space_group_name_H-M 'R 3 m R'
_symmetry_Int_Tables_number 160
_refine_ls_R_factor_all 0.0083
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'z, y, x'
2 'z, x, y'
3 'x, z, y'
4 'y, z, x'
5 'y, x, z'
6 'x, y, z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
Ge2+ 2
Te2- -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_B_iso_or_equiv
_atom_site_occupancy
_atom_site_attached_hydrogens
Ge1 Ge2+ 1 a 0 0 0 1.4(4) 1. 0
Te1 Te2- 1 a 0.521(1) 0.521(1) 0.521(1) 0.62(2) 1. 0
#End of TTdata_159907-ICSD
2楼2016-02-25 08:52:18
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anatta1

铁杆木虫 (正式写手)

把格式改成.cif就可以看了
3楼2016-02-25 08:53:19
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