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【答案】应助回帖
★ ★ ★ ★ ★ 感谢参与,应助指数 +1 know_snow: 金币+5, ★★★★★最佳答案, 非常感谢 2012-12-09 16:05:25
data_39197-ICSD
_database_code_ICSD 39197
_audit_creation_date 1986/12/03
_audit_update_record 2007/04/01
_chemical_name_systematic 'Cobalt Dimanganese(III) Oxide'
_chemical_formula_structural 'Co Mn2 O4'
_chemical_formula_sum 'Co1 Mn2 O4'
_publ_section_title
;
Preparation by a wet method and ionic distribution of transition
metal-substituted Hausmannite spinel.
;
loop_
_citation_id
_citation_journal_abbrev
_citation_year
_citation_journal_volume
_citation_page_first
_citation_page_last
_citation_journal_id_ASTM
primary
;
Funtai Oyobi Funmatsu Yakin (= Journal of the Japan Society of Powder
Metallurgy)
;
1983 30 48 54 FOFUA2
2 'Journal of Physics and Chemistry of Solids' 1962 23 711 727 JPCSAW
3 'Journal of the Physical Society of Japan' 1962 17 53 61 JUPSAU
_publ_author_name
;
Yamamoto, N.;Kawano, S.;Achiwa, N.;Higashi, S.
;
_cell_length_a 5.784
_cell_length_b 5.784
_cell_length_c 9.091
_cell_angle_alpha 90.
_cell_angle_beta 90.
_cell_angle_gamma 90.
_cell_volume 304.14
_cell_formula_units_Z 4
_symmetry_space_group_name_H-M 'I 41/a m d S'
_symmetry_Int_Tables_number 141
_refine_ls_R_factor_all 0.13
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'y, -x+1/2, z+1/4'
2 '-y, x+1/2, z+1/4'
3 'y, -x, -z'
4 '-y, x, -z'
5 '-y, -x+1/2, z+1/4'
6 'y, x+1/2, z+1/4'
7 '-y, -x, -z'
8 'y, x, -z'
9 'x, -y+1/2, -z+1/4'
10 '-x, y+1/2, -z+1/4'
11 'x, -y, z'
12 '-x, y, z'
13 '-x, -y+1/2, -z+1/4'
14 'x, y+1/2, -z+1/4'
15 '-x, -y, z'
16 'x, y, z'
17 'y+1/2, -x, z+3/4'
18 '-y+1/2, x, z+3/4'
19 'y+1/2, -x+1/2, -z+1/2'
20 '-y+1/2, x+1/2, -z+1/2'
21 '-y+1/2, -x, z+3/4'
22 'y+1/2, x, z+3/4'
23 '-y+1/2, -x+1/2, -z+1/2'
24 'y+1/2, x+1/2, -z+1/2'
25 'x+1/2, -y, -z+3/4'
26 '-x+1/2, y, -z+3/4'
27 'x+1/2, -y+1/2, z+1/2'
28 '-x+1/2, y+1/2, z+1/2'
29 '-x+1/2, -y, -z+3/4'
30 'x+1/2, y, -z+3/4'
31 '-x+1/2, -y+1/2, z+1/2'
32 'x+1/2, y+1/2, z+1/2'
loop_
_atom_type_symbol
_atom_type_oxidation_number
Co2+ 2
Co3+ 3
Mn2+ 2
Mn3+ 3
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_occupancy
_atom_site_attached_hydrogens
_atom_site_B_iso_or_equiv
Co1 Co2+ 4 a 0 0 0 0.84 0 1.
Mn1 Mn2+ 4 a 0 0 0 0.16 0 1.
Co2 Co3+ 8 d 0 0.25 0.625 0.08 0 1.
Mn2 Mn3+ 8 d 0 0.25 0.625 0.92 0 1.
O1 O2- 16 h 0 0.23 0.39 1. 0 1.
#End of data_39197-ICSD |
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