|
Crystal Structures Solved from Powder Diffraction Data |
||||||||
|
by Peter Y. Zavalij |
||||||||
|
No. |
Formula |
Sp.gr. |
V |
RF2 |
Rp |
Natoms |
Nhkl |
Remarks |
|
1 |
NaMo5.5O16.5(OH).0.5H2O |
P63/m |
364 |
4.0 |
6.3 |
5 |
118 |
S |
|
2 |
AgMo5.5O16.5(OH).H2O |
P63/m |
363 |
4.7 |
6.3 |
6 |
118 |
S |
|
3 |
tmaMo4O12 |
C2/m |
1435 |
9.6 |
10.3 |
13 |
279 |
S! |
|
4 |
AgxWO3, pyrochlore |
Fd3m |
1124 |
9.7 |
18.3 |
4 |
45 |
R |
|
5 |
NaxWO3 |
Fd3m |
1050 |
2.4 |
3 |
18 |
R |
|
|
6 |
(NH4)xWO3 |
Fd3m |
1054 |
5.1 |
8.8 |
3 |
21 |
R |
|
7 |
(CH3NH3)xWO3 |
Fd3m |
1108 |
4.4 |
8.3 |
4 |
21 |
R |
|
8 |
AgxWO3, hexagonal |
P6/mmm |
182 |
9.0 |
13.8 |
5 |
46 |
R |
|
9 |
Rb2CuBr3-xIx |
Pnam |
800 |
5.4 |
9.8 |
6 |
151 |
R |
|
10 |
Mo5.25O14.25(OH)3.1.36H2O |
P63/m |
362 |
3.9 |
7.5 |
6 |
256 |
S |
|
11 |
NH4Mo5.3O15.5(OH)1.8.0.85H2O |
P63/m |
358 |
3.7 |
5.3 |
5 |
116 |
S |
|
12 |
Mn6(PO4)4.3H2O |
C2/c |
1328 |
9.3 |
13.4 |
16 |
250 |
S |
|
12 |
LixV2O4.H2O |
I4/mmm |
217 |
4.0 |
8.3 |
3 |
42 |
S, X+N |
|
14 |
Fe2P2O7.2H2O |
P21/n |
674 |
6.0 |
15.5 |
13 |
272 |
R |
|
15 |
KxMnO2 |
R-3m |
151 |
5.7 |
3 |
29 |
S |
|
|
16 |
tmaV3O7 |
P21/n |
1020 |
5.2 |
7.8 |
15 |
424 |
S |
|
17 |
LixV2O4 |
P4/nmm |
92 |
12.6 |
16.0 |
3 |
20 |
S |
|
18 |
NiMnO2OH |
Cmc21 |
221 |
6.0 |
5.0 |
5 |
102 |
S, X+N |
|
19 |
(CH3NH3)2Mo7O22 |
C2/c |
2092 |
3.8 |
4.7 |
13 |
1086 |
S |
|
20 |
Zn3(OH)2V2O7.2H2O |
P-3m1 |
228 |
3.8 |
5.2 |
6 |
152 |
S |
|
21 |
Zn1/4V2/3O2 |
R-3m |
117 |
4.9 |
11.2 |
3 |
33 |
S |
|
22 |
VO(CH3COO)2 |
Cmc21 |
670 |
7.0 |
9.8 |
6 |
155 |
S |
|
23 |
tmaV8O20 |
C2/m |
523 |
6.8 |
6.7 |
11 |
182 |
S |
|
24 |
Al2(OH)3VO4 |
C2/m |
547 |
9.1 |
6.5 |
8 |
241 |
S |
|
25 |
WO2(O2)(OH2).1.66H2O |
C2/m |
432 |
9.0 |
6.1 |
6 |
125 |
S |
|
26 |
(CH3NH3)V4O10 |
C2/m |
468 |
5.9 |
9.1 |
10 |
127 |
S |
|
27 |
WO2(O2)(OH2) |
P21/n |
335 |
4.5 |
6.9 |
6 |
143 |
S |
|
28 |
VO(OCH2CH2O) |
C2/c |
860 |
6.1 |
10.5 |
6 |
261 |
S |
|
29 |
(V8-xO16)Clx.nH2O |
I4/m |
329 |
2.3 |
8.0 |
6 |
66 |
S |
|
30 |
Mn7-2/3x(OH)3(VO4)4-2x(V2O7)x |
P63mc |
796 |
8.7 |
8.5 |
10 |
302 |
S |
|
31 |
MnV2O5 |
Pnma |
394 |
4.5 |
5.2 |
8 |
373 |
S |
|
32 |
FeV8O20 |
C2/m |
580 |
14.5 |
22.9 |
11 |
160 |
S |
|
33 |
tea2Mo6O19 |
P4/mnc |
1646 |
6.9 |
8.9 |
10 |
268 |
S |
|
34-35 |
Au-Ni-Sn |
Ccca |
473 |
8.5 |
14.9 |
2 |
125 |
R |
|
36 |
Li2Sn(OH)6 |
P21/n |
257 |
15.9 |
17.7 |
5 |
486 |
S |
|
37-44 |
Zr - hydrides |
|||||||
|
46 |
FePO4, monoclinic |
P21/n |
329 |
3.2 |
5.2 |
6 |
301 |
S |
|
47 |
eaLiV4O10 |
P-1 |
223 |
4.8 |
5.1 |
10 |
117 |
S, Sync |
|
48 |
teaV8O20 |
C2/m |
577 |
9.2 |
10.5 |
12 |
168 |
S |
|
49 |
KB(C2O4)2 |
Cmcm |
744 |
7.0 |
7.2 |
8 |
145 |
S |
|
50 |
NaB(C2O4)2 |
Cmcm |
657 |
4.8 |
6.9 |
8 |
136 |
R |
|
51 |
LiB(C2O4)2 |
Pnma |
637 |
3.4 |
9.4 |
9 |
114 |
S |
S - solved ab initio
R - the Rietveld refinement
S+N - synchrotron and neutron data