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【答案】应助回帖
感谢参与，应助指数 +1
#(C) 2019 by FIZ Karlsruhe - Leibniz Institute for Information Infrastructure. All rights reserved.
data_67848-ICSD
_database_code_ICSD 67848
_audit_creation_date 1995-01-10
_audit_update_record 2007-04-01
_chemical_name_systematic 'Zinc oxide'
_chemical_formula_structural 'Zn O'
_chemical_formula_sum 'O1 Zn1'
_chemical_name_structure_type Wurtzite-ZnS(2H)
_exptl_crystal_density_diffrn 5.65
_publ_section_title
;
Microstructural characterization of nanocrystals of Zn O and Cu O obtained
from basic salts
;
loop_
_citation_id
_citation_journal_full
_citation_year
_citation_journal_volume
_citation_page_first
_citation_page_last
_citation_journal_id_ASTM
primary 'Solid State Ionics' 1993 63 442 449 SSIOD3
loop_
_publ_author_name
'Garcia-Martinez, O.'
'Rojas, R.M.'
'Vila, E.'
'Martin de Vidales, J.L.'
_cell_length_a 3.2535(3)
_cell_length_b 3.2535(3)
_cell_length_c 5.2151(5)
_cell_angle_alpha 90.
_cell_angle_beta 90.
_cell_angle_gamma 120.
_cell_volume 47.81
_cell_formula_units_Z 2
_symmetry_space_group_name_H-M 'P 63 m c'
_symmetry_Int_Tables_number 186
_refine_ls_R_factor_all 0.0433
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'
8 '-x+y, 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
Zn2+ 2
O2- -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
Zn1 Zn2+ 2 b 0.3333 0.6667 0 0.47(5) 1. 0
O1 O2- 2 b 0.3333 0.6667 0.38240(8) 0.47(5) 1. 0
#End of TTdata_67848-ICSD |
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