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題名 | The Crystal Structure of Vesuvianites from Taiwan=臺灣玉里符山石的晶體結構解析 |
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作者 | 李建興; 余樹楨; | 書刊名 | 中國地質學會會刊 |
卷期 | 39:1 1996.01[民85.01] |
頁次 | 頁105-116 |
分類號 | 358.1 |
關鍵詞 | 綠色符山石; 棕色符山石; 晶體結構; 差異傅利葉分析; Green vesuvianite; Brown vesuvianite; Crystal structure; Difference fourier analysis; |
語文 | 英文(English) |
中文摘要 | 臺灣東部玉里地區發現的符山石計有棕色與綠色兩種。棕色符山石鈦含量偏高; 而鈦含量之遞增與鋁合量之遞減成正相關關係。另一方面綠色符山石鈦含量極低。 兩種不同顏色的符山石同屬P4/nnc對稱,晶室參數分別為□=15.547(2)□,□=11.833 (2)□(棕色);□=15.508(2)□,□=11.815(2)□(綠色)。晶體結構精化後之 誤差值(R值)分別為6.72%(棕色)與 6.60%(綠色)。兩種符山石分析所得結構幾乎一 致,且與Coda等人(1970)所報告的接近。精化結果顯示氫原子離氧(11)距離為0.6□。 同時富利葉殘存電子密度計算及鍵價計算皆指示有一氫原子附於氧(10)旁邊形成氫氧基。 符山石結構中的陽離子四面體位置為矽所佔;六面體位置為鋁、鐵、鎂、鈦等中型離子所 估,其中B位置(含鐵、鋁、鎂)為五配位數位置;八面體位置大部份為鈣原子所佔,少 量鈉原子亦佔在八面體位置中。此外,沿四重旋轉軸的B位置(五配位)及C位置(六配 位)由於相連且距離僅1.4□,故呈現半充填狀態。 |
英文摘要 | The crystal structure of two vesuvianites in rodingite from the Yu-li area Taiwan, were determined from data collected on a Nonius CAD-4 four-circle diffractometer. Two samples are brown and green in color, respectively. The results indicate that the brown vesuvianites have high Ti content and that the increase in Ti is fairly well correlated with the decrease in Al. In contrast, the green ones are characterized by a very low Ti concentration. Very low fluorine and boron content in these two samples were also noted. The two samples belong to the space group of P4/nnc and have similar chemistry and cell parameters (□=15.547, 15.508□;□=11.833, 11.815□. Full-matrix least squares refinement of the structure, including anisotropic temperature factors, gave conventional and weighted R values of 6.72, 3.61 and 6. 60, 4.49 %, respectively for these two specimens. The structures are virtually identical, and very similar to that proposed by Coda et al. (1970). The refinement results show the position for the H atom at the distance of about 0.6□ from O(11). According to the analysis of a difference Fourier synthesis, the bond-valence calculations and relationship between B-O(10) and O(10)-O(10) distance, it demonstrates that another H atom should bond to O(10). Cations in vesuvianites are mainly confined to the 6-fold AlFe-sites (Al, Fe, Mg, Ti) and 5-fold B-sites (Fe, Al, Mg). The 4-fold sites are filled with Si, the 8-fold sites with Ca (minor Na), and the 6-fold A-sites with Al. Furthermore, along the 4-fold axis of the structure, adjacent B-sites (tetrahedral pyramid) and C-sites (square antiprism) are half occupied because of the close cation-cation distance of about 1.4□. |
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