| Project/Area Number |
63580046
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| Research Category |
Grant-in-Aid for General Scientific Research (C)
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| Allocation Type | Single-year Grants |
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| Research Field |
結晶学
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| Research Institution | Osaka Kyoiku University |
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Principal Investigator |
TAKAKI Yoshito Osaka Kyoiku Univ., Faculty of Education Professor, 教育学部, 教授 (40030267)
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| Co-Investigator(Kenkyū-buntansha) |
NAKATA Kazuaki Osaka Kyoiku Univ., Faculty of Education Asst. Professor, 教育学部, 助教授 (80030443)
YAMAGUCHI Hiroshi Osaka Kyoiku Univ., Faculty of Education Asst. Professor, 教育学部, 助教授 (60030441)
KATO Yoshihiro Osaka Kyoiku Univ., Faculty of Education Asst. Professor, 教育学部, 助教授 (70030343)
TANIGUCHI Tomohiko Osaka Kyoiku Univ., Faculty of Education Professor, 教育学部, 教授 (60030376)
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| Project Period (FY) |
1988 – 1990
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| Project Status |
Completed (Fiscal Year 1990)
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| Budget Amount *help |
¥1,700,000 (Direct Cost: ¥1,700,000)
Fiscal Year 1990: ¥200,000 (Direct Cost: ¥200,000)
Fiscal Year 1989: ¥600,000 (Direct Cost: ¥600,000)
Fiscal Year 1988: ¥900,000 (Direct Cost: ¥900,000)
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| Keywords | Computer programming / X-ray powder diffraction / Unit-cell constants / Space group / Personal computer / プログラム / 結晶構造解析 / 粉末回折図形 / 密度測定 / パソコン / X線粉末回析 / 優先配向 / 線吸収係数 |
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| Research Abstract |
Development of the computer programs for obtaining unit-cell constants and space groups has been performed. The results are as follows :
The main programs for obtaining unit-cell constants and space groups from X-ray powder diffraction data are those of CELL series and CELL-Q series. These programs can be used for all lattice types except for the triclinic lattices. CELL-Q series are the programs for obtaining unit-cell constants and lattice types from diffraction data containing impurities. The other supporting programs developed are : CELL-S series, the programs for obtaining the most reliable unitーcell constants from approximate unit-cell constants and space group (or lattice type) ; CELL-2 series, the programs for obtaining precise space group with the unit-cell constants obtained from CELL- or CELL-Q series ; HKL series, the programs for calculating diffraction angles 2rheta and d-values for the diffraction indices hkl from given unit-cell constants and space group.
Since originally developed algorithms are used in the programs, it is not necessary to collect highly accurate low-angle diffraction data for obtaining unit-cell constants. The programs (written in N_<88>-BASIC) execute on a personal computer (NEC, PC-9801 series), and therefore, it is expected that these programs will be used by many investigators at hand.
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