This document provides instructions for using the RIETAN-FP VENUS program. It includes: 1) An overview of the program and how to install it on Windows. 2) Descriptions of the macros available in RIETAN-FP VENUS for performing tasks like structure refinement, visualization, and data conversion. 3) Information on the file formats used and generated by the various macros. The document aims to help users understand and make full use of the capabilities of RIETAN-FP VENUS for crystal structure analysis.

1. RIETAN-FP VENUS
∗
305-0044 1-1
2011 1 5
1
RIETAN-FP VENUS Windows *1
RIETAN-FP VENUS*2 PRIMA ALBA VESTA
2
2.1 Readme
Windows Windows versions.zip
Readme win.pdf Windows
Readme win.pdf
2.2
v8.02 C: Program Files Hidemaru
v6.14
∗ E-mail: IZUMI.Fujio@nims.go.jp
*1 http://hide.maruo.co.jp/software/hidemaru.html
*2 http://homepage.mac.com/fujioizumi/visualization/VENUS.html
1

2. 64 Windows 64
32 C: Program Files Hidemaru (x86)
Windows DLL (Dynamic Link Library) DLL*3
Readme win.pdf Windows RIETAN VENUS
DengakuDLL.dll DLL C: Program Files Hidemaru
DLL HTML C: Program
Files RIETAN VENUS Macros DengakuDLL manual
2.3
2.3.1 RIETAN-FP VENUS
Readme win.pdf Windows versions
RIETAN VENUS C: Program Files
C: Program Files RIETAN VENUS
2.3.2
Web URL 4 C: Program
Files
• VESTA: C: Program Files VESTA
• EXPO2004: C: Program Files EXPO2004
• SUPERFLIP: C: Program Files SUPERFLIP
• PowderX: C: Program Files PowderX
• Powder 4: C: Program Files Powder4
• EDMA: C: Program Files EDMA
VESTA VENUS*4
VESTA C: Program Files
2.4 Windows
Windows
OS
Windows XP [ ]
Windows Vista [
]
*3 http://www.ceres.dti.ne.jp/˜sugiura/
*4 http://homepage.mac.com/fujioizumi/visualization/VENUS.html
2

3. 4
• pdf Adobe Reader PDF
• itx Igor Pro
• xls Microsoft Excel OpenOffice.org Calc
RIETAN-FP No. 28
Igor Pro*5 No. 2 Plot
Space groups.xls No. 29, Space groups
3
3.1
/
[ ] C: Program Files Hidemaru *.reg
/
[ ]
3.2
3.2.1
... ... ...
C: Program Files RIETAN VENUS Macros RIETAN-FP.key
/ ...
*5 http://www.wavemetrics.com/
3

4. [ ] C: Program Files RIETAN VENUS Macros
RIETAN-FP.reg
• C: Program Files RIETAN VENUS Macros
• C: Program Files RIETAN VENUS Macros
3.2.2 PC
PC CPU
[ ]
...
[ ] [ ] PC
*.lst X
100
4
No. 1 30 1
2 1 Ctrl-E
25 3
4

5. 1 RIETAN-FP VENUS
2 RIETAN-FP VENUS
4.1 No. 1 10
10
1. RIETAN.mac (RIETAN): RIETAN-FP
5

6. 3 RIETAN-FP VENUS
2. Plot.mac (Plot): Igor Pro RietView*6
*.itx
3. ORFFE.mac (ORFFE): ORFFE
4. PRIMA.mac (PRIMA): PRIMA MEM
5. ALBA.mac (ALBA): ALBA
6. lst2cif.mac (lst2cif ): RIETAN-FP CIF*7 *.lst *.cif
7. res2ins.mac (res2ins...): res2ins *.res EXPO2004*8
*.ins
8. Alchemy.mac (Alchemy): Alchemy *.fos RIETAN-FP
*.mem
9. EXPO.mac (EXPO...): EXPO2004
10. SUPERFLIP.mac (SUPERFLIP): Charge flipping SUPERFLIP*9
VESTA*10 3D
RIETAN No. 1 *.ins.BAK
Plot No. 2 RietView *.itx
Igor Pro itx Igor Pro Plot.mac 9 RietView
*.itx
*6 http://members.at.infoseek.co.jp/DrHell/labo/index.html
*7 http://www.iucr.org/ data/iucr/cif/standard/cifstd1.html
*8 http://www.ic.cnr.it/
*9 http://superspace.epfl.ch/superflip/
*10 http://www.geocities.jp/kmo mma/crystal/jp/vesta.html
6

7. 4 *.prf
openbyshell $itx; // Open by Igor Pro
PRIMA No. 4 PRIMA *.prf
( ).prf ( ).prf
PRIMA Macros
template.prf *.prf
4 *.prf *.prf
PRIMA template.prf
PRIMA 64 PRIMA64.exe
ALBA No. 5 *.alb *.txt
SUPERFLIP No. 10 inflip
*.inflip
3D *.xplor
4.2 No. 11 17
7 [3D ] F1 F7
Ctrl-E
11. VESTA.mac (VESTA): VESTA
3D
12. VESTA ins.mac (VESTA/ins): VESTA *.ins 3D
13. VESTA lst.mac (VESTA/lst): VESTA *.lst 3D
7

8. 14. VESTA cif.mac (VESTA/cif ): VESTA *.cif 3D
15. VESTA den (VESTA/den): VESTA *.den
3D
16. VESTA pri (VESTA/pri): VESTA *.pri
3D
17. VESTA vesta (VESTA/vesta): VESTA *.vesta 3D
VESTA No. 11 VESTA
*.ins, *.lst, *.cif, *.den, *.vesta
F3 [ ] VESTA/lst
No. 13 [ ] Ctrl-G
VESTA VESTA lst *.lst Manipulation Select
Wyckoff
4.3 No. 21 30
[ ] No. 21 28
No. 21 Ctrl-E Ctrl-T
No. 22 27 Ctrl-E
No. 28 F8
Ctrl-E
21. ExtDriver.mac ( ): *11 5.4
22. XY RIETAN.mac (XY RIETAN): General Igor
2θ RIETAN *.int *
23. XY RIETAN.mac (RIETAN General): RIETAN
General *.int *
24. PowderX.mac (PowderX...): PowderX*12
25. Powder4.mac (Powder 4...): Powder 4*13
26. EDMA.mac (EDMA): EDMA*14
27. MADEL.mac (MADEL):
MADEL
28. Manual.mac ( ): RIETAN-FP PDF RIETAN-FP manual.pdf
29. Space groups.mac (Space groups): Hermann-Mauguin Excel
97-2004 Space groups.xls
30. BVP.mac (Bond valence parameters): Bond valence parameter CIF
*11 http://hide.maruo.co.jp/lib/macro/extdriver001.html
*12 http://www.ccp14.ac.uk/tutorial/powderx/index.html
*13 http://www.ccp14.ac.uk/ccp/web-mirrors/ndragoe/html/software.html
*14 http://superspace.epfl.ch/superflip/
8

9. *15 (bvparm2009.cif)
XY RIETAN No. 22
*.int *.int.BAK
XY RIETAN *.int EXPO2004 RIETAN-FP
8.4.1
MADEL No. 27 RIETAN VENUS examples YBa2Cu4O8
YBa2Cu4O8.pme YBa2Cu4O8.mad
mad VESTA
MADEL *.pme
2.4 Space groups No. 29 C: Program Files
RIETAN VENUS Macros Space groups.xls Excel Calc OpenOffice.org*16
“2” “International
Tables for Crystallography,” Vol. A 2 STRUCTURE TIDY
4.4 No. 31 33
[ ]
No. 31 F9
No. 32 F10
No. 33 Ctrl-Q
31. openExplorer.mac ( ): *17
32. Command Prompt.mac ( ):
33. quote2.mac ( ): *18
No. 31
PRIMA Igor Pro * eps.pat Igor Pro
No. 33 100
RIETAN-FP VENUS C: Program
Files RIETAN VENUS Macros quote2.ini
*15 http://www.ccp14.ac.uk/ccp/web-mirrors/i d brown/bond valence param/
*16 http://ja.openoffice.org/
*17 http://hide.maruo.co.jp/lib/macro/openexplorer.html
*18 http://hide.maruo.co.jp/lib/macro/enter code.html
9

10. 5
5.1
Fapatite.ins Cu3Fe4P6.ins If Select
If, then, else, end if, Select case, case, end select, Go to
5.2
Manual No. 27 *.ins
sample.xyz
sample.xyz sample.ins ORFFE No. 3
RIETAN No. 1 lst2cif No. 6
1) *.ins
*.ins *.ins
( ) *.ins RIETAN-FP
2) *.ins
RIETAN-FP
RIETAN-FP *.ins
5.3
• RIETAN: *.ins, *.lst, *.xyz ( ), *.ffo
• ORFFE: *.xyz ( ), *.dst
• PRIMA: *.out
• ALBA: *.out
• lst2cif : *.cif
• res2ins: *.ins
• Alchemy: *.mem
• EXPO: *.exp *.ffx Le Bail
• SUPERFLIP: *.sflog, *.xplor VESTA 3D
• XY RIETAN: *.int
• EDMA: *.cif, *.coo
*.lst, *.dst, *.out, *.mem, *.sflog
10

11. 5.4
No. 21
Ctrl+T
No. 1 8, 14, 15, 17, STRUCTURE TIDY.mac C: Program
Files RIETAN VENUS Macros
ffo
ffx EXPO
extra.hkl ext2ffi.mac ext2ffi.mac
*.ffi *.ffi
STRUCTURE TIDY sti
STRUCTURE TIDY.mac STRUCTURE TIDY
*.sto STRUCTURE TIDY
RIETAN-FP manual.pdf 8.3.10 *.sti
• 1 *19
• 2 0 1
• 3 a, b, c, α, β, γ
• 4 3 *20
• 2 end
STRUCTURE TIDY “end”
RIETAN VENUS examples YBa2Cu4O8
YBa2Cu4O8.sti YBa2Cu4O8.sto RIETAN VENUS examples Zr2Fe12P7
Zr2Fe12P7.sti Zr2Fe12P7.sto
5.5
Ctrl+E 3
5.6
/
&
X
*19 Space groups .
*20 2 6 O2 Fe3
H123a
11

12. 5
5.7
v8.0
5 [
] [ ]
6
*.mac
[ ]
12

13. [ ]
[ ]
7
• “ Ver7 ,” Iranoan, (2007), 7 .
7.1
n n=4 7
[ ] /
[ ] [ ]
[ ]
7.2
/
ctrl, Alt
/ n OK
7.3
Ctrl+E [ ] ( )
7.4
[ ] [ ] [ ] [ / ]
[ ] [ ]
13

14. Mn n: 1, 2, 3,
[ ] [ ] [ ]
7.5
run, runsync, runsync2 “+”
runsync runsync2
"
7.6
[ ] [ ]
7.7
[ ] [ ] [ ...]
14