DEGEO - Departamento de Geologia
URI permanente desta comunidadehttp://www.hml.repositorio.ufop.br/handle/123456789/8
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25 resultados
Resultados da Pesquisa
Item The application of high-temperature X-ray diffraction and infrared emission spectroscopy to the thermal decomposition of krohnkite.(2016) Testasicca, Leonardo Pena; Frost, Ray Leslie; Ruan, Xiuxiu; Lim, Jéssica; Belotti, Fernanda Maria; Cipriano, Ricardo Augusto ScholzHigh-temperature X-ray diffraction and infrared emission spectroscopy have been applied to measure the thermal stability of the sulphate mineral kro¨hnkite Na2Cu(SO4)2 2H2O. Kro¨hnkite shows a low thermal stability. The mineral decomposes into a complex mixture of sulphates below 500 C and sulphides below 650 C, before melting. Broad emission infrared bands at 3350 and 3105 cm-1 are assigned to the stretching vibration of the water units. The intensity of these two bands decreases as the temperature is raised. The intensity of these bands is lost by 250 C. The sharp IES band at 992 cm-1 is assigned to the m1 SO4 2- symmetric stretching vibration. Intensity in this band is lost by 200 C. New IES bands are noted. The important aspect of this work is the use of hightemperature X-ray diffraction to determine the thermal decomposition of a mineral, in this case krohnkite.Item Infrared and Raman spectroscopic characterization of the phosphate mineral kosnarite KZr2(PO4)3 in comparison with other pegmatitic phosphates.(2012) Frost, Ray Leslie; Xi, Yunfei; Cipriano, Ricardo Augusto Scholz; Belotti, Fernanda MariaIn this research, we have used vibrational spectroscopy to study the phosphate mineral kosnarite KZr2(PO4)3. Interest in this mineral rests with the ability of zirconium phosphates (ZP) to lock in radioactive elements. ZP have the capacity to concentrate and immobilize the actinide fraction of radioactive phases in homogeneous zirconium phosphate phases. The Raman spectrum of kosnarite is characterized by a very intense band at 1,026 cm-1 assigned to the symmetric stretching vibration of the PO4 3- m1 symmetric stretching vibration. The series of bands at 561, 595 and 638 cm-1 are assigned to the m4 out-of-plane bending modes of the PO4 3- units. The intense band at 437 cm-1 with other bands of lower wavenumber at 387, 405 and 421 cm-1 is assigned to the m2 in-plane bending modes of the PO4 3- units. The number of bands in the antisymmetric stretching region supports the concept that the symmetry of the phosphate anion in the kosnarite structure is preserved. The width of the infrared spectral profile and its complexity in contrast to the wellresolved Raman spectrum show that the pegmatitic phosphates are better studied with Raman spectroscopy.Item Chemistry, Raman and infrared spectroscopic characterization of the phosphate mineral reddingite : (MnFe)3(PO4)2(H2O,OH)3, a mineral found in lithium-bearing pegmatite.(2012) Frost, Ray Leslie; Xi, Yunfei; Cipriano, Ricardo Augusto Scholz; Belotti, Fernanda Maria; Lagoeiro, Leonardo EvangelistaDetailed investigation of an intermediate member of the reddingite–phosphoferrite series, using infrared and Raman spectroscopy, scanning electron microcopy and electron microprobe analysis, has been carried out on a homogeneous sample from a lithium-bearing pegmatite named Cigana mine, near Conselheiro Pena, Minas Gerais, Brazil. The determined formula is ðMn1:60Fe1:21Ca0:01 Mg0:01ÞP2:83ðPO4Þ2:12 ðH2O2:85F0:01ÞP2:86, indicating predominance in the reddingite member. Raman spectroscopy coupled with infrared spectroscopy supports the concept of phosphate, hydrogen phosphate and dihydrogen phosphate units in the structure of reddingite-phosphoferrite. Infrared and Raman bands attributed to water and hydroxyl stretching modes are identified. Vibrational spectroscopy adds useful information to the molecular structure of reddingite– phosphoferrite.Item SEM, EDX and vibrational spectroscopic study of the phosphate mineral ushkovite MgFe2 3+(PO4)2(OH)2 8H2O – implications of the molecular structure.(2015) López, Andrés; Cipriano, Ricardo Augusto Scholz; Frost, Ray Leslie; Belotti, Fernanda MariaThe mineral ushkovite has been analyzed using a combination of electron microscopy with EDX and vibrational spectroscopy. Chemical analysis shows the mineral contains P, Mg with very minor Fe. Thus, the formula of the studied ushkovite is Mg3 2+(PO4)2 8H2O. The Raman spectrum shows an intense band at 953 cm 1 assigned to the m1 symmetric stretching mode. In the infrared spectra complexity exists with multiple antisymmetric stretching vibrations observed, due to the reduced tetrahedral symmetry. This loss of degeneracy is also reflected in the bending modes. Strong infrared bands around 827 cm 1 are attributed to water librational modes. The Raman spectra of the hydroxyl-stretching region are complex with overlapping broad bands. Hydroxyl stretching vibrations are identified at 2881, 2998, 3107, 3203, 3284 and 3457 cm 1. The wavenumber band at 3457 cm 1 is attributed to the presence of FeOH groups. This complexity is reflected in the water HOH bending modes where a strong infrared band centered around 1653 cm 1 is found. Such a band reflects the strong hydrogen bonding of the water molecules to the phosphate anions in adjacent layers. Spectra show three distinct OH bending bands from strongly hydrogen-bonded, weakly hydrogen bonded water and non-hydrogen bonded water. Vibrational spectroscopy enhances our knowledge of the molecular structure of ushkovite.Item The molecular structure of the borate mineral szaibelyite MgBO2(OH) : a vibrational spectroscopic study.(2015) Frost, Ray Leslie; Cipriano, Ricardo Augusto Scholz; López, Andrés; Belotti, Fernanda MariaWe have studied the borate mineral szaibelyite MgBO2(OH) using electron microscopy and vibrational spectroscopy. EDS spectra show a phase composed of Mg with minor amounts of Fe. Both tetrahedral and trigonal boron units are observed. The nominal resolution of the Raman spectrometer is of the order of 2 cm 1 and as such is sufficient enough to identify separate bands for the stretching bands of the two boron isotopes. The Raman band at 1099 cm 1 with a shoulder band at 1093 cm 1 is assigned to BO stretching vibration. Raman bands at 1144, 1157, 1229, 1318 cm 1 are attributed to the BOH in-plane bending modes. Raman bands at 836 and 988 cm 1 are attributed to the antisymmetric stretching modes of tetrahedral boron. The infrared bands at 3559 and 3547 cm 1 are assigned to hydroxyl stretching vibrations. Broad infrared bands at 3269 and 3398 cm 1 are assigned to water stretching vibrations. Infrared bands at 1306, 1352, 1391, 1437 cm 1 are assigned to the antisymmetric stretching vibrations of trigonal boron. Vibrational spectroscopy enables aspects of the molecular structure of the borate mineral szaibelyite to be assessed.Item A vibrational spectroscopic study of the phosphate mineral vantasselite Al4(PO4)3(OH)3 9H2O.(2015) Frost, Ray Leslie; Cipriano, Ricardo Augusto Scholz; Belotti, Fernanda Maria; López, Andrés; Theiss, Frederick L.We have studied the phosphate mineral vantasselite Al4(PO4)3(OH)3 9H2O using a combination of SEM with EDX and Raman and infrared spectroscopy. Qualitative chemical analysis shows Al, Fe and P. Raman bands at 1013 and 1027 cm 1 are assigned to the PO43 m1 symmetric stretching mode. The observation of two bands suggests the non-equivalence of the phosphate units in the vantasselite structure. Raman bands at 1051, 1076 and 1090 cm 1 are attributed to the PO43 m3 antisymmetric stretching vibration. A comparison is made with the spectroscopy of wardite. Strong infrared bands at 1044, 1078, 1092, 1112, 1133, 1180 and 1210 cm 1 are attributed to the PO4 3 m3 antisymmetric stretching mode. Some of these bands may be due to dAl2OH deformation modes. Vibrational spectroscopy offers a mechanism for the study of the molecular structure of vantasselite.Item A vibrational spectroscopic study of the anhydrous phosphate mineral sidorenkite Na3Mn(PO4)(CO3).(2015) Frost, Ray Leslie; López, Andrés; Cipriano, Ricardo Augusto Scholz; Belotti, Fernanda Maria; Xi, YunfeiSidorenkite is a very rare low-temperature hydrothermal mineral, formed very late in the crystallization of hyperagpaitic pegmatites in a differentiated alkalic massif (Mt. Alluaiv, Kola Peninsula, Russia). Sidorenkite Na3Mn(PO4)(CO3) is a phosphate–carbonate of sodium and manganese. Such a formula with two oxyanions lends itself to vibrational spectroscopy. The sharp Raman band at 959 cm 1 and 1012 cm 1 are assigned to the PO43 stretching modes, whilst the Raman bands at 1044 cm 1 and 1074 cm 1 are attributed to the CO32 stretching modes. It is noted that no Raman bands at around 800 cm 1 for sidorenkite were observed. The infrared spectrum of sidorenkite shows a quite intense band at 868 cm 1 with other resolved component bands at 850 and 862 cm 1. These bands are ascribed to the CO32 out-of-plane bend (m2) bending mode. The series of Raman bands at 622, 635, 645 and 704 cm 1 are assigned to the m4 phosphate bending modes. The observation of multiple bands supports the concept of a reduction in symmetry of the carbonate anion from D3h or even C2v.Item Raman, infrared and near-infrared spectroscopic characterization of the herderite-hydroxylherderite mineral series.(2014) Frost, Ray Leslie; Cipriano, Ricardo Augusto Scholz; López, Andrés; Xi, Yunfei; Queiroz, Camila de Siqueira; Belotti, Fernanda Maria; Cândido Filho, MauroNatural single-crystal specimens of the herderite–hydroxylherderite series from Brazil, with general formula CaBePO4(F,OH), were investigated by electron microprobe, Raman, infrared and near-infrared spectroscopies. The minerals occur as secondary products in granitic pegmatites. Herderite and hydroxylherderite minerals show extensive solid solution formation. The Raman spectra of hydroxylherderite are characterized by bands at around 985 and 998 cm_1, assigned to m1 symmetric stretching mode of the HOPO3_ 3 and PO3_ 4 units. Raman bands at around 1085, 1128 and 1138 cm_1 are attributed to both the HOP and PO antisymmetric stretching vibrations. The set of Raman bands observed at 563, 568, 577, 598, 616 and 633 cm_1 are assigned to the m4 out of plane bending modes of the PO4 and H2PO4 units. The OH Raman stretching vibrations of hydroxylherderite were observed ranging from 3626 cm_1 to 3609 cm_1. The infrared stretching vibrations of hydroxylherderites were observed between 3606 cm_1 and 3599 cm_1. By using a Libowitzky type function, hydrogen bond distances based upon the OH stretching bands were calculated. Characteristic NIR bands at around 6961 and 7054 cm_1 were assigned to the first overtone of the fundamental, whilst NIR bands at 10,194 and 10,329 cm_1 are assigned to the second overtone of the fundamental OH stretching vibration. Insight into the structure of the herderite–hydroxylherderite series is assessed by vibrational spectroscopy.Item Structural characterization and vibrational spectroscopy of the arsenate mineral wendwilsonite.(2014) Frost, Ray Leslie; Cipriano, Ricardo Augusto Scholz; López, Andrés; Belotti, Fernanda Maria; Xi, YunfeiIn this paper, we have investigated on the natural wendwilsonite mineral with the formulae Ca2(Mg,Co)(AsO4)2_2(H2O). Raman spectroscopy complimented with infrared spectroscopy has been used to determine the molecular structure of the wendwilsonite arsenate mineral. A comparison is made with the roselite mineral group with formula Ca2B(AsO4)2_2H2O (where B may be Co, Fe2+, Mg, Mn, Ni, Zn). The Raman spectra of the arsenate related to tetrahedral arsenate clusters with stretching region shows strong differences between that of wendwilsonite and the roselite arsenate minerals which is attributed to the cation substitution for calcium in the structure. The Raman arsenate (AsO4)3_ stretching region shows strong differences between that of wendwilsonite and the roselite arsenate minerals which is attributed to the cation substitution for calcium in the structure. In the infrared spectra complexity exists of multiple to tetrahedral (AsO4)3_ clusters with antisymmetric stretching vibrations observed indicating a reduction of the tetrahedral symmetry. This loss of degeneracy is also reflected in the bending modes. Strong Raman bands around 450 cm_1 are assigned to m4 bending modes. Multiple bands in the 350–300 cm_1 region assigned to m2 bending modes provide evidence of symmetry reduction of the arsenate anion. Three broad bands for wendwilsonite found at 3332, 3119 and 3001 cm_1 are assigned to OH stretching bands. By using a Libowitzky empirical equation, hydrogen bond distances of 2.65 and 2.75 Å are estimated. Vibrational spectra enable the molecular structure of the wendwilsonite mineral to be determined and whilst similarities exist in the spectral patternsb with the roselite mineral group, sufficient differences exist to be able to determine the identification of the minerals.Item Infrared and Raman spectroscopic characterization of the carbonate mineral huanghoite - and in comparison with selected rare earth carbonates.(2013) Frost, Ray Leslie; López, Andrés; Cipriano, Ricardo Augusto Scholz; Xi, Yunfei; Belotti, Fernanda MariaRaman spectroscopy complimented with infrared spectroscopy has been used to study the rare earth based mineral huanghoite with possible formula given as BaCe(CO3)2F and compared with the Raman spectra of a series of selected natural halogenated carbonates from different origins including bastnasite, parisite and northupite. The Raman spectrum of huanghoite displays three bands are at 1072, 1084 and 1091 cm^-1 attributed to the (CO3)^2- symmetric stretching vibration. The observation of three symmetric stretching vibrations is very unusual. The position of (CO3)^2- symmetric stretching vibration varies with mineral composition. Infrared spectroscopy of huanghoite show bands at 1319, 1382, 1422 and 1470 1091 cm^-1. No Raman bands of huanghoite were observed in these positions. Raman spectra of bastnasite, parisite and northupite show a single band at 1433, 1420 and 1554 1091 cm^-1 assigned to the m3 (CO3)^2- antisymmetric stretching mode. The observation of additional Raman bands for the m3 modes for some halogenated carbonates is significant in that it shows distortion of the carbonate anion in the mineral structure. Four Raman bands for huanghoite are observed at 687, 704, 718 and 730 1091 cm^-1 and assigned to the (CO3)^2- m2 bending modes. Raman bands are observed for huanghoite at around 627 1091 cm^-1 and are assigned to the (CO3)^2- m4 bending modes. Raman bands are observed for the carbonate m4 in phase bending modes at 722 1091 cm^-1 for bastnasite, 736 and 684 1091 cm^-1 for parisite, 714 1091 cm^-1 for northupite. Raman bands for huanghoite observed at 3259, 3484 and 3589 1091 cm^-1 are attributed to water stretching bands. Multiple bands are observed in the OH stretching region for bastnasite and parisite indicating the presence of water and OH units in their mineral structure. Vibrational spectroscopy enables new information on the structure of huanghoite to be assessed.
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