DEGEO - Departamento de Geologia
URI permanente desta comunidadehttp://www.hml.repositorio.ufop.br/handle/123456789/8
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Resultados da Pesquisa
Item Vibrational spectroscopic characterization of the phosphate mineral althausite Mg2(PO4)(OH,F,O) - implications for the molecular structure.(2014) Frost, Ray Leslie; López, Andrés; Xi, Yunfei; Cipriano, Ricardo Augusto ScholzNatural single-crystal specimens of althausite from Brazil, with general formula Mg2(PO4)(OH,F,O) were investigated by Raman and infrared spectroscopy. The mineral occurs as a secondary product in granitic pegmatites. The Raman spectrum of althausite is characterized by bands at 1020, 1033 and 1044 cm_1, assigned to m1 symmetric stretching modes of the HOPO3_ 3 and PO3_ 4 units. Raman bands at around 1067, 1083 and 1138 cm_1 are attributed to both the HOP and PO antisymmetric stretching vibrations. The set of Raman bands observed at 575, 589 and 606 cm_1 are assigned to the m4 out of plane bending modes of the PO4 and H2PO4 units. Raman bands at 439, 461, 475 and 503 cm_1 are attributed to the m2 PO4 and H2PO4 bending modes. Strong Raman bands observed at 312, 346 cm_1 with shoulder bands at 361, 381 and 398 cm_1 are assigned to MgO stretching vibrations. No bands which are attributable to water were found. Vibrational spectroscopy enables aspects of the molecular structure of althausite to be assessed.Item Vibrational spectroscopy of the borate mineral tunellite SrB6O9(OH)2 3(H2O) - implications for the molecular structure.(2014) Frost, Ray Leslie; López, Andrés; Cipriano, Ricardo Augusto Scholz; Xi, YunfeiTunellite is a strontium borate mineral with formula: SrB6O9(OH)2_3(H2O) and occurs as colorless crystals in the monoclinic pyramidal crystal system. An intense Raman band at 994 cm_1 was assigned to the BO stretching vibration of the B2O3 units. Raman bands at 1043, 1063, 1082 and 1113 cm_1 are attributed to the in-plane bending vibrations of trigonal boron. Sharp Raman bands observed at 464, 480, 523, 568 and 639 cm_1 are simply defined as trigonal and tetrahedral borate bending modes. The Raman spectrum clearly shows intense Raman bands at 3567 and 3614 cm_1, attributed to OH units. The molecular structure of a natural tunellite has been assessed by using vibrational spectroscopy.Item The molecular structure of the borate mineral inderite Mg(H4B3O7)(OH)-5H2O - a vibrational spectroscopic study.(2013) Frost, Ray Leslie; López, Andrés; Xi, Yunfei; Lima, Rosa Malena Fernandes; Cipriano, Ricardo Augusto Scholz; Granja, AmandaWe have undertaken a study of the mineral inderite Mg(H4B3O7)(OH)_5H2O a hydrated hydroxy borate mineral of magnesium using scanning electron microscopy, thermogravimetry and vibrational spectroscopic techniques. The structure consists of ½B3O3ðOHÞ5_2_ soroborate groups and Mg(OH)2(H2O)4 octahedra interconnected into discrete molecules by the sharing of two OH groups. Thermogravimetry shows a mass loss of 47.2% at 137.5 _C, proving the mineral is thermally unstable. Raman bands at 954, 1047 and 1116 cm_1 are assigned to the trigonal symmetric stretching mode. The two bands at 880 and 916 cm_1 are attributed to the symmetric stretching mode of the tetrahedral boron. Both the Raman and infrared spectra of inderite show complexity. Raman bands are observed at 3052, 3233, 3330, 3392 attributed to water stretching vibrations and 3459 cm_1 with sharper bands at 3459, 3530 and 3562 cm_1 assigned to OH stretching vibrations. Vibrational spectroscopy is used to assess the molecular structure of inderite.Item Infrared and Raman spectroscopic characterization of the silicate-carbonate mineral carletonite - KNa4Ca4Si8O18(CO3)4(OH,F) H2O.(2013) Frost, Ray Leslie; Xi, Yunfei; Cipriano, Ricardo Augusto Scholz; López, Andrés; Belotti, Fernanda MariaAn assessment of the molecular structure of carletonite a rare phyllosilicate mineral with general chemical formula given as KNa4Ca4Si8O18(CO3)4(OH,F).H2O has been undertaken using vibrational spectroscopy. Carletonite has a complex layered structure. Within one period of c, it contains a silicate layer of composition NaKSi8O18 H2O, a carbonate layer of composition NaCO3 0.5H2O and two carbonate layers of composition NaCa2CO3(F,OH)0.5. Raman bands are observed at 1066, 1075 and 1086 cm 1. Whether these bands are due to the CO2 3 m1 symmetric stretching mode or to an SiO stretching vibration is open to question. Multiple bands are observed in the 300–800 cm 1 spectral region, making the attribution of these bands difficult. Multiple water stretching and bending modes are observed showing that there is much variation in hydrogen bonding between water and the silicate and carbonate surfaces.Item The molecular structure of the phosphate mineral beraunite Fe^2+Fe5^3+(PO4)4(OH)5.4H2O – A vibrational spectroscopic study.(2014) Frost, Ray Leslie; López, Andrés; Cipriano, Ricardo Augusto Scholz; Xi, Yunfei; Lana, Cristiano de CarvalhoThe mineral beraunite from Boca Rica pegmatite in Minas Gerais with theoretical formula Fe^2+ Fe5^ 3+(PO4)4(OH)5.4H2O has been studied using a combination of electron microscopy with EDX and vibrational spectroscopic techniques. Raman spectroscopy identifies an intense band at 990 cm^-1 and 1011 cm^-1. These bands are attributed to the PO4^-3 v1 symmetric stretching mode. The v3 antisymmetric stretching modes are observed by a large number of Raman bands. The Raman bands at 1034, 1051, 1058, 1069 and 1084 together with the Raman bands at 1098, 1116, 1133, 1155 and 1174 cm^-1 are assigned to the v3 antisymmetric stretching vibrations of PO4^-3 and the HOPO3^-2 units. The observation of these multiple Raman bands in the symmetric and antisymmetric stretching region gives credence to the concept that both phosphate and hydrogen phosphate units exist in the structure of beraunite. The series of Raman bands at 567, 582, 601, 644, 661, 673, and 687 cm^-1 are assigned to the PO4^-3 v2 bending modes. The series of Raman bands at 437, 468, 478, 491, 503 cm^-1 are attributed to the PO4^-3 and HOPO3^-2 v4 bending modes. No Raman bands of beraunite which could be attributed to the hydroxyl stretching unit were observed. Infrared bands at 3511 and 3359 cm^-1 are ascribed to the OH stretching vibration of the OH units. Very broad bands at 3022 and 3299 cm^-1 are attributed to the OH stretching vibrations of water. Vibrational spectroscopy offers insights into the molecular structure of the phosphate mineral beraunite.Item Vibrational spectroscopic characterization of the phosphate mineral barbosalite Fe2+ Fe23+ (PO4)2(OH)2 : implications for the molecular structure.(2013) Frost, Ray Leslie; Xi, Yunfei; López, Andrés; Cipriano, Ricardo Augusto Scholz; Lana, Cristiano de Carvalho; Souza, Bárbara Emilly Vieira Firmino eNatural single-crystal specimens of barbosalite from Brazil, with general formula Fe^2+ Fe2^3+ (PO4)2(OH)2 were investigated by Raman and infrared spectroscopy. The mineral occurs as secondary products in granitic pegmatites. The Raman spectrum of barbosalite is characterized by bands at 1020, 1033 and 1044 cm^-1 cm^-1, assigned to m1 symmetric stretching mode of the HOPO3^-3 and PO3^-4 units. Raman bands at around 1067, 1083 and 1138 cm^-1 are attributed to both the HOP and PO antisymmetric stretching vibrations. The set of Raman bands observed at 575, 589 and 606 cm^-1 are assigned to the v4 out of plane bending modes of the PO4 and H2PO4 units. Raman bands at 439, 461, 475 and 503 cm^-1 are attributed to the v2 PO4 and H2PO4 bending modes. Strong Raman bands observed at 312, 346 cm^-1 with shoulder bands at 361, 381 and 398 cm^-1 are assigned to FeO stretching vibrations. No bands which are attributableto water vibrations were found. Vibrational spectroscopy enables aspects of the molecular structure of barbosalite to be assessed.