24小时热门版块排行榜

返回列表

DearLuo

木虫 (正式写手)

To be the one.

应助: 58 (初中生)
金币: 2293.8
散金: 45
红花: 7
帖子: 648
在线: 690.6小时
虫号: 1985449
注册: 2012-09-08
性别: GG
专业: 电化学

[求助] 求LiNiVO4 和LiCoVO4 的CIF 文件，谢谢朋友们已有1人参与

RT。非常感谢！

回复此楼

» 猜你喜欢

» 本主题相关价值贴推荐，对您同样有帮助:

求助——Li3V2(PO4)3 Li2V2(PO4)3 Li1V2(PO4)3 V2(PO4)3 的CIF文件已经有4人回复
求g-C3N4的CIF文件已经有3人回复
谁能提供LiCoO2,LiFePO4,LiMn2O4还有LiNiO2和磷酸钒锂的CIF文件？已经有4人回复
GSAS拟合liveplot输出图像中4条线是什么意思啊，初始拟合差别很大是不是CIF文件有问题已经有11人回复
急求石墨相g-C3N4的CIF文件已经有9人回复
Fe3O4的cif文件在MS打开的问题已经有10人回复
【求助】Fe5(PO4)4(OH)3·2H2O该物质的cif文件一个已经有3人回复
求Mg(NH4)(PO4).H2O的cif文件！不胜感激！已经有8人回复
求单斜Cu7S4(JCPDS:23-0958)的CIF文件，谢谢已经有6人回复
求助CIF文件，LiCoO2、LiNiO2、LiMn2O4、Li4Ti5O12晶体结构的CIF，谢谢已经有7人回复
【求助】求助ICSD中的γ相Ca2SiO4的CIF文件已经有6人回复
【求助】求NaMg3Al6[Si6O18](BO3)3(OH)4这个晶体的cif文件，在线等！十万火急已经有4人回复
【求助成功】急求ICSD数据库中的Al2（MoO4)3的cif文件已经有5人回复
【求助】Fe2(C5H5)2(CO)4与Ru2(C5H5)2(CO)4的CIF文件已经有3人回复

教养，学识，实践！

1楼2014-05-30 16:43:16

已阅回复此楼关注TA 给TA发消息送TA红花 TA的回帖

回帖置顶 ( 共有1个 )

wgzhang82

银虫 (小有名气)

应助: 5 (幼儿园)
金币: 1123.9
帖子: 92
在线: 49.8小时
虫号: 444143
注册: 2007-10-27
专业: 无机材料化学

【答案】应助回帖

★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★
感谢参与，应助指数 +1
DearLuo: 金币+15, ★★★★★最佳答案, 非常感谢，祝一切顺利！ 2014-06-01 13:34:55
DearLuo: 回帖置顶 2014-06-01 13:35:04

不好意思，不会上传附件。只好把cif文件内容复制到这里了。
LiNiVO4
#(C) 2014 by Fachinformationszentrum Karlsruhe. All rights reserved.
data_162751-ICSD
_database_code_ICSD 162751
_audit_creation_date 2009-08-01
_chemical_name_systematic 'Lithium nickel vanadate'
_chemical_formula_structural 'Li Ni (V O4)'
_chemical_formula_sum 'Li1 Ni1 O4 V1'
_chemical_name_structure_type Al2MgO4
_exptl_crystal_density_diffrn 4.32
_publ_section_title

;
X-ray diffraction and Raman scattering studies of Li(+)/e(-)-extracted inverse
spinel Li Ni V O4
;
loop_
_citation_id
_citation_journal_full
_citation_year
_citation_journal_volume
_citation_page_first
_citation_page_last
_citation_journal_id_ASTM
primary 'Journal of Alloys and Compounds' 2009 471 L26 L28 JALCEU
loop_
_publ_author_name
'Li, X.'
'Wei, Y.J.'
'Ehrenberg, H.'
'Liu, D.L.'
'Zhan, S.Y.'
'Wang, C.Z.'
'Chen, G.'
_cell_length_a 8.2178(4)
_cell_length_b 8.2178(4)
_cell_length_c 8.2178(4)
_cell_angle_alpha 90.
_cell_angle_beta 90.
_cell_angle_gamma 90.
_cell_volume 554.97
_cell_formula_units_Z 8
_symmetry_space_group_name_H-M 'F d -3 m Z'
_symmetry_Int_Tables_number 227
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 '-z, y+3/4, x+3/4'
2 'z+3/4, -y, x+3/4'
3 'z+3/4, y+3/4, -x'
4 '-z, -y, -x'
5 'y+3/4, x+3/4, -z'
6 '-y, x+3/4, z+3/4'
7 'y+3/4, -x, z+3/4'
8 '-y, -x, -z'
9 'x+3/4, -z, y+3/4'
10 'x+3/4, z+3/4, -y'
11 '-x, z+3/4, y+3/4'
12 '-x, -z, -y'
13 '-z, x+3/4, y+3/4'
14 'z+3/4, x+3/4, -y'
15 'z+3/4, -x, y+3/4'
16 '-z, -x, -y'
17 'y+3/4, -z, x+3/4'
18 '-y, z+3/4, x+3/4'
19 'y+3/4, z+3/4, -x'
20 '-y, -z, -x'
21 'x+3/4, y+3/4, -z'
22 'x+3/4, -y, z+3/4'
23 '-x, y+3/4, z+3/4'
24 '-x, -y, -z'
25 'z, -y+1/4, -x+1/4'
26 '-z+1/4, y, -x+1/4'
27 '-z+1/4, -y+1/4, x'
28 'z, y, x'
29 '-y+1/4, -x+1/4, z'
30 'y, -x+1/4, -z+1/4'
31 '-y+1/4, x, -z+1/4'
32 'y, x, z'
33 '-x+1/4, z, -y+1/4'
34 '-x+1/4, -z+1/4, y'
35 'x, -z+1/4, -y+1/4'
36 'x, z, y'
37 'z, -x+1/4, -y+1/4'
38 '-z+1/4, -x+1/4, y'
39 '-z+1/4, x, -y+1/4'
40 'z, x, y'
41 '-y+1/4, z, -x+1/4'
42 'y, -z+1/4, -x+1/4'
43 '-y+1/4, -z+1/4, x'
44 'y, z, x'
45 '-x+1/4, -y+1/4, z'
46 '-x+1/4, y, -z+1/4'
47 'x, -y+1/4, -z+1/4'
48 'x, y, z'
49 '-z, y+1/4, x+1/4'
50 'z+3/4, -y+1/2, x+1/4'
51 'z+3/4, y+1/4, -x+1/2'
52 '-z, -y+1/2, -x+1/2'
53 'y+3/4, x+1/4, -z+1/2'
54 '-y, x+1/4, z+1/4'
55 'y+3/4, -x+1/2, z+1/4'
56 '-y, -x+1/2, -z+1/2'
57 'x+3/4, -z+1/2, y+1/4'
58 'x+3/4, z+1/4, -y+1/2'
59 '-x, z+1/4, y+1/4'
60 '-x, -z+1/2, -y+1/2'
61 '-z, x+1/4, y+1/4'
62 'z+3/4, x+1/4, -y+1/2'
63 'z+3/4, -x+1/2, y+1/4'
64 '-z, -x+1/2, -y+1/2'
65 'y+3/4, -z+1/2, x+1/4'
66 '-y, z+1/4, x+1/4'
67 'y+3/4, z+1/4, -x+1/2'
68 '-y, -z+1/2, -x+1/2'
69 'x+3/4, y+1/4, -z+1/2'
70 'x+3/4, -y+1/2, z+1/4'
71 '-x, y+1/4, z+1/4'
72 '-x, -y+1/2, -z+1/2'
73 'z, -y+3/4, -x+3/4'
74 '-z+1/4, y+1/2, -x+3/4'
75 '-z+1/4, -y+3/4, x+1/2'
76 'z, y+1/2, x+1/2'
77 '-y+1/4, -x+3/4, z+1/2'
78 'y, -x+3/4, -z+3/4'
79 '-y+1/4, x+1/2, -z+3/4'
80 'y, x+1/2, z+1/2'
81 '-x+1/4, z+1/2, -y+3/4'
82 '-x+1/4, -z+3/4, y+1/2'
83 'x, -z+3/4, -y+3/4'
84 'x, z+1/2, y+1/2'
85 'z, -x+3/4, -y+3/4'
86 '-z+1/4, -x+3/4, y+1/2'
87 '-z+1/4, x+1/2, -y+3/4'
88 'z, x+1/2, y+1/2'
89 '-y+1/4, z+1/2, -x+3/4'
90 'y, -z+3/4, -x+3/4'
91 '-y+1/4, -z+3/4, x+1/2'
92 'y, z+1/2, x+1/2'
93 '-x+1/4, -y+3/4, z+1/2'
94 '-x+1/4, y+1/2, -z+3/4'
95 'x, -y+3/4, -z+3/4'
96 'x, y+1/2, z+1/2'
97 '-z+1/2, y+3/4, x+1/4'
98 'z+1/4, -y, x+1/4'
99 'z+1/4, y+3/4, -x+1/2'
100 '-z+1/2, -y, -x+1/2'
101 'y+1/4, x+3/4, -z+1/2'
102 '-y+1/2, x+3/4, z+1/4'
103 'y+1/4, -x, z+1/4'
104 '-y+1/2, -x, -z+1/2'
105 'x+1/4, -z, y+1/4'
106 'x+1/4, z+3/4, -y+1/2'
107 '-x+1/2, z+3/4, y+1/4'
108 '-x+1/2, -z, -y+1/2'
109 '-z+1/2, x+3/4, y+1/4'
110 'z+1/4, x+3/4, -y+1/2'
111 'z+1/4, -x, y+1/4'
112 '-z+1/2, -x, -y+1/2'
113 'y+1/4, -z, x+1/4'
114 '-y+1/2, z+3/4, x+1/4'
115 'y+1/4, z+3/4, -x+1/2'
116 '-y+1/2, -z, -x+1/2'
117 'x+1/4, y+3/4, -z+1/2'
118 'x+1/4, -y, z+1/4'
119 '-x+1/2, y+3/4, z+1/4'
120 '-x+1/2, -y, -z+1/2'
121 'z+1/2, -y+1/4, -x+3/4'
122 '-z+3/4, y, -x+3/4'
123 '-z+3/4, -y+1/4, x+1/2'
124 'z+1/2, y, x+1/2'
125 '-y+3/4, -x+1/4, z+1/2'
126 'y+1/2, -x+1/4, -z+3/4'
127 '-y+3/4, x, -z+3/4'
128 'y+1/2, x, z+1/2'
129 '-x+3/4, z, -y+3/4'
130 '-x+3/4, -z+1/4, y+1/2'
131 'x+1/2, -z+1/4, -y+3/4'
132 'x+1/2, z, y+1/2'
133 'z+1/2, -x+1/4, -y+3/4'
134 '-z+3/4, -x+1/4, y+1/2'
135 '-z+3/4, x, -y+3/4'
136 'z+1/2, x, y+1/2'
137 '-y+3/4, z, -x+3/4'
138 'y+1/2, -z+1/4, -x+3/4'
139 '-y+3/4, -z+1/4, x+1/2'
140 'y+1/2, z, x+1/2'
141 '-x+3/4, -y+1/4, z+1/2'
142 '-x+3/4, y, -z+3/4'
143 'x+1/2, -y+1/4, -z+3/4'
144 'x+1/2, y, z+1/2'
145 '-z+1/2, y+1/4, x+3/4'
146 'z+1/4, -y+1/2, x+3/4'
147 'z+1/4, y+1/4, -x'
148 '-z+1/2, -y+1/2, -x'
149 'y+1/4, x+1/4, -z'
150 '-y+1/2, x+1/4, z+3/4'
151 'y+1/4, -x+1/2, z+3/4'
152 '-y+1/2, -x+1/2, -z'
153 'x+1/4, -z+1/2, y+3/4'
154 'x+1/4, z+1/4, -y'
155 '-x+1/2, z+1/4, y+3/4'
156 '-x+1/2, -z+1/2, -y'
157 '-z+1/2, x+1/4, y+3/4'
158 'z+1/4, x+1/4, -y'
159 'z+1/4, -x+1/2, y+3/4'
160 '-z+1/2, -x+1/2, -y'
161 'y+1/4, -z+1/2, x+3/4'
162 '-y+1/2, z+1/4, x+3/4'
163 'y+1/4, z+1/4, -x'
164 '-y+1/2, -z+1/2, -x'
165 'x+1/4, y+1/4, -z'
166 'x+1/4, -y+1/2, z+3/4'
167 '-x+1/2, y+1/4, z+3/4'
168 '-x+1/2, -y+1/2, -z'
169 'z+1/2, -y+3/4, -x+1/4'
170 '-z+3/4, y+1/2, -x+1/4'
171 '-z+3/4, -y+3/4, x'
172 'z+1/2, y+1/2, x'
173 '-y+3/4, -x+3/4, z'
174 'y+1/2, -x+3/4, -z+1/4'
175 '-y+3/4, x+1/2, -z+1/4'
176 'y+1/2, x+1/2, z'
177 '-x+3/4, z+1/2, -y+1/4'
178 '-x+3/4, -z+3/4, y'
179 'x+1/2, -z+3/4, -y+1/4'
180 'x+1/2, z+1/2, y'
181 'z+1/2, -x+3/4, -y+1/4'
182 '-z+3/4, -x+3/4, y'
183 '-z+3/4, x+1/2, -y+1/4'
184 'z+1/2, x+1/2, y'
185 '-y+3/4, z+1/2, -x+1/4'
186 'y+1/2, -z+3/4, -x+1/4'
187 '-y+3/4, -z+3/4, x'
188 'y+1/2, z+1/2, x'
189 '-x+3/4, -y+3/4, z'
190 '-x+3/4, y+1/2, -z+1/4'
191 'x+1/2, -y+3/4, -z+1/4'
192 'x+1/2, y+1/2, z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
V5+ 5
Li1+ 1
Ni2+ 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
V1 V5+ 8 a 0.125 0.125 0.125 . 1. 0
Li1 Li1+ 16 d 0.5 0.5 0.5 . 0.5 0
Ni1 Ni2+ 16 d 0.5 0.5 0.5 . 0.5 0
O1 O2- 32 e 0.2452(3) 0.2452(3) 0.2452(3) . 1. 0
#End of TTdata_162751-ICSD

LiCoVO4
(C) 2014 by Fachinformationszentrum Karlsruhe. All rights reserved.
data_78561-ICSD
_database_code_ICSD 78561
_audit_creation_date 1996-10-14
_chemical_name_systematic 'Lithium cobalt vanadium oxide'
_chemical_formula_structural 'Li Co V O4'
_chemical_formula_sum 'Co1 Li1 O4 V1'
_chemical_name_structure_type Al2MgO4
_exptl_crystal_density_diffrn 4.18
_publ_section_title
'Structure and magnetic properties of Li M V O4 (M=Co, Ni, Cu) spinels'
loop_
_citation_id
_citation_journal_full
_citation_year
_citation_journal_volume
_citation_page_first
_citation_page_last
_citation_journal_id_ASTM
primary 'Journal of Materials Science' 1994 29 3458 3460 JMTSAS
loop_
_publ_author_name
'Gonzalez, C.'
'Gaitan, M.'
'Lopez, M.L.'
'Veiga, M.L.'
'Saez-Puche, R.'
'Pico, C.'
_cell_length_a 8.315(1)
_cell_length_b 8.315(1)
_cell_length_c 8.315(1)
_cell_angle_alpha 90.
_cell_angle_beta 90.
_cell_angle_gamma 90.
_cell_volume 574.89
_cell_formula_units_Z 8
_symmetry_space_group_name_H-M 'F d -3 m Z'
_symmetry_Int_Tables_number 227
_refine_ls_R_factor_all 0.0352
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 '-z, y+3/4, x+3/4'
2 'z+3/4, -y, x+3/4'
3 'z+3/4, y+3/4, -x'
4 '-z, -y, -x'
5 'y+3/4, x+3/4, -z'
6 '-y, x+3/4, z+3/4'
7 'y+3/4, -x, z+3/4'
8 '-y, -x, -z'
9 'x+3/4, -z, y+3/4'
10 'x+3/4, z+3/4, -y'
11 '-x, z+3/4, y+3/4'
12 '-x, -z, -y'
13 '-z, x+3/4, y+3/4'
14 'z+3/4, x+3/4, -y'
15 'z+3/4, -x, y+3/4'
16 '-z, -x, -y'
17 'y+3/4, -z, x+3/4'
18 '-y, z+3/4, x+3/4'
19 'y+3/4, z+3/4, -x'
20 '-y, -z, -x'
21 'x+3/4, y+3/4, -z'
22 'x+3/4, -y, z+3/4'
23 '-x, y+3/4, z+3/4'
24 '-x, -y, -z'
25 'z, -y+1/4, -x+1/4'
26 '-z+1/4, y, -x+1/4'
27 '-z+1/4, -y+1/4, x'
28 'z, y, x'
29 '-y+1/4, -x+1/4, z'
30 'y, -x+1/4, -z+1/4'
31 '-y+1/4, x, -z+1/4'
32 'y, x, z'
33 '-x+1/4, z, -y+1/4'
34 '-x+1/4, -z+1/4, y'
35 'x, -z+1/4, -y+1/4'
36 'x, z, y'
37 'z, -x+1/4, -y+1/4'
38 '-z+1/4, -x+1/4, y'
39 '-z+1/4, x, -y+1/4'
40 'z, x, y'
41 '-y+1/4, z, -x+1/4'
42 'y, -z+1/4, -x+1/4'
43 '-y+1/4, -z+1/4, x'
44 'y, z, x'
45 '-x+1/4, -y+1/4, z'
46 '-x+1/4, y, -z+1/4'
47 'x, -y+1/4, -z+1/4'
48 'x, y, z'
49 '-z, y+1/4, x+1/4'
50 'z+3/4, -y+1/2, x+1/4'
51 'z+3/4, y+1/4, -x+1/2'
52 '-z, -y+1/2, -x+1/2'
53 'y+3/4, x+1/4, -z+1/2'
54 '-y, x+1/4, z+1/4'
55 'y+3/4, -x+1/2, z+1/4'
56 '-y, -x+1/2, -z+1/2'
57 'x+3/4, -z+1/2, y+1/4'
58 'x+3/4, z+1/4, -y+1/2'
59 '-x, z+1/4, y+1/4'
60 '-x, -z+1/2, -y+1/2'
61 '-z, x+1/4, y+1/4'
62 'z+3/4, x+1/4, -y+1/2'
63 'z+3/4, -x+1/2, y+1/4'
64 '-z, -x+1/2, -y+1/2'
65 'y+3/4, -z+1/2, x+1/4'
66 '-y, z+1/4, x+1/4'
67 'y+3/4, z+1/4, -x+1/2'
68 '-y, -z+1/2, -x+1/2'
69 'x+3/4, y+1/4, -z+1/2'
70 'x+3/4, -y+1/2, z+1/4'
71 '-x, y+1/4, z+1/4'
72 '-x, -y+1/2, -z+1/2'
73 'z, -y+3/4, -x+3/4'
74 '-z+1/4, y+1/2, -x+3/4'
75 '-z+1/4, -y+3/4, x+1/2'
76 'z, y+1/2, x+1/2'
77 '-y+1/4, -x+3/4, z+1/2'
78 'y, -x+3/4, -z+3/4'
79 '-y+1/4, x+1/2, -z+3/4'
80 'y, x+1/2, z+1/2'
81 '-x+1/4, z+1/2, -y+3/4'
82 '-x+1/4, -z+3/4, y+1/2'
83 'x, -z+3/4, -y+3/4'
84 'x, z+1/2, y+1/2'
85 'z, -x+3/4, -y+3/4'
86 '-z+1/4, -x+3/4, y+1/2'
87 '-z+1/4, x+1/2, -y+3/4'
88 'z, x+1/2, y+1/2'
89 '-y+1/4, z+1/2, -x+3/4'
90 'y, -z+3/4, -x+3/4'
91 '-y+1/4, -z+3/4, x+1/2'
92 'y, z+1/2, x+1/2'
93 '-x+1/4, -y+3/4, z+1/2'
94 '-x+1/4, y+1/2, -z+3/4'
95 'x, -y+3/4, -z+3/4'
96 'x, y+1/2, z+1/2'
97 '-z+1/2, y+3/4, x+1/4'
98 'z+1/4, -y, x+1/4'
99 'z+1/4, y+3/4, -x+1/2'
100 '-z+1/2, -y, -x+1/2'
101 'y+1/4, x+3/4, -z+1/2'
102 '-y+1/2, x+3/4, z+1/4'
103 'y+1/4, -x, z+1/4'
104 '-y+1/2, -x, -z+1/2'
105 'x+1/4, -z, y+1/4'
106 'x+1/4, z+3/4, -y+1/2'
107 '-x+1/2, z+3/4, y+1/4'
108 '-x+1/2, -z, -y+1/2'
109 '-z+1/2, x+3/4, y+1/4'
110 'z+1/4, x+3/4, -y+1/2'
111 'z+1/4, -x, y+1/4'
112 '-z+1/2, -x, -y+1/2'
113 'y+1/4, -z, x+1/4'
114 '-y+1/2, z+3/4, x+1/4'
115 'y+1/4, z+3/4, -x+1/2'
116 '-y+1/2, -z, -x+1/2'
117 'x+1/4, y+3/4, -z+1/2'
118 'x+1/4, -y, z+1/4'
119 '-x+1/2, y+3/4, z+1/4'
120 '-x+1/2, -y, -z+1/2'
121 'z+1/2, -y+1/4, -x+3/4'
122 '-z+3/4, y, -x+3/4'
123 '-z+3/4, -y+1/4, x+1/2'
124 'z+1/2, y, x+1/2'
125 '-y+3/4, -x+1/4, z+1/2'
126 'y+1/2, -x+1/4, -z+3/4'
127 '-y+3/4, x, -z+3/4'
128 'y+1/2, x, z+1/2'
129 '-x+3/4, z, -y+3/4'
130 '-x+3/4, -z+1/4, y+1/2'
131 'x+1/2, -z+1/4, -y+3/4'
132 'x+1/2, z, y+1/2'
133 'z+1/2, -x+1/4, -y+3/4'
134 '-z+3/4, -x+1/4, y+1/2'
135 '-z+3/4, x, -y+3/4'
136 'z+1/2, x, y+1/2'
137 '-y+3/4, z, -x+3/4'
138 'y+1/2, -z+1/4, -x+3/4'
139 '-y+3/4, -z+1/4, x+1/2'
140 'y+1/2, z, x+1/2'
141 '-x+3/4, -y+1/4, z+1/2'
142 '-x+3/4, y, -z+3/4'
143 'x+1/2, -y+1/4, -z+3/4'
144 'x+1/2, y, z+1/2'
145 '-z+1/2, y+1/4, x+3/4'
146 'z+1/4, -y+1/2, x+3/4'
147 'z+1/4, y+1/4, -x'
148 '-z+1/2, -y+1/2, -x'
149 'y+1/4, x+1/4, -z'
150 '-y+1/2, x+1/4, z+3/4'
151 'y+1/4, -x+1/2, z+3/4'
152 '-y+1/2, -x+1/2, -z'
153 'x+1/4, -z+1/2, y+3/4'
154 'x+1/4, z+1/4, -y'
155 '-x+1/2, z+1/4, y+3/4'
156 '-x+1/2, -z+1/2, -y'
157 '-z+1/2, x+1/4, y+3/4'
158 'z+1/4, x+1/4, -y'
159 'z+1/4, -x+1/2, y+3/4'
160 '-z+1/2, -x+1/2, -y'
161 'y+1/4, -z+1/2, x+3/4'
162 '-y+1/2, z+1/4, x+3/4'
163 'y+1/4, z+1/4, -x'
164 '-y+1/2, -z+1/2, -x'
165 'x+1/4, y+1/4, -z'
166 'x+1/4, -y+1/2, z+3/4'
167 '-x+1/2, y+1/4, z+3/4'
168 '-x+1/2, -y+1/2, -z'
169 'z+1/2, -y+3/4, -x+1/4'
170 '-z+3/4, y+1/2, -x+1/4'
171 '-z+3/4, -y+3/4, x'
172 'z+1/2, y+1/2, x'
173 '-y+3/4, -x+3/4, z'
174 'y+1/2, -x+3/4, -z+1/4'
175 '-y+3/4, x+1/2, -z+1/4'
176 'y+1/2, x+1/2, z'
177 '-x+3/4, z+1/2, -y+1/4'
178 '-x+3/4, -z+3/4, y'
179 'x+1/2, -z+3/4, -y+1/4'
180 'x+1/2, z+1/2, y'
181 'z+1/2, -x+3/4, -y+1/4'
182 '-z+3/4, -x+3/4, y'
183 '-z+3/4, x+1/2, -y+1/4'
184 'z+1/2, x+1/2, y'
185 '-y+3/4, z+1/2, -x+1/4'
186 'y+1/2, -z+3/4, -x+1/4'
187 '-y+3/4, -z+3/4, x'
188 'y+1/2, z+1/2, x'
189 '-x+3/4, -y+3/4, z'
190 '-x+3/4, y+1/2, -z+1/4'
191 'x+1/2, -y+3/4, -z+1/4'
192 'x+1/2, y+1/2, z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
Li1+ 1
Co2+ 2
V5+ 5
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
Li1 Li1+ 16 d 0.5 0.5 0.5 . 0.5 0
Co1 Co2+ 16 d 0.5 0.5 0.5 . 0.5 0
V1 V5+ 8 a 0.125 0.125 0.125 . 1. 0
O1 O2- 32 e 0.245(1) 0.245(1) 0.245(1) . 1. 0
#End of TTdata_78561-ICSD

赞一下

回复此楼

2楼2014-05-30 21:00:37

已阅回复此楼关注TA 给TA发消息送TA红花 TA的回帖

普通回帖

DearLuo

木虫 (正式写手)

To be the one.

应助: 58 (初中生)
金币: 2293.8
散金: 45
红花: 7
帖子: 648
在线: 690.6小时
虫号: 1985449
注册: 2012-09-08
性别: GG
专业: 电化学

引用回帖:

2楼: Originally posted by wgzhang82 at 2014-05-30 21:00:37
不好意思，不会上传附件。只好把cif文件内容复制到这里了。
LiNiVO4
#(C) 2014 by Fachinformationszentrum Karlsruhe. All rights reserved.
data_162751-ICSD
_database_code_ICSD 162751
_audit_creation_ ...

救星终于来了，能不能再劳烦您找一下看有没有 LiVTiO4 的cif.

非常感谢！

赞一下

回复此楼

教养，学识，实践！

3楼2014-05-30 21:39:32

已阅回复此楼关注TA 给TA发消息送TA红花 TA的回帖