The crystal structure of the elusive huemulite
The crystal structures of natural huemulite from the West Sunday mine, Utah, USA, and synthetic huemulite, Na4Mg(V10O 28)·24H2O, have been solved and refined to R 1 = 0.0313 (for 3535 unique F0 > AσF reflections) and 0.0246 (for 3672 unique F0 > 4σF reflections), respectively. Huemulit...
Guardado en:
| Autor principal: | |
|---|---|
| Otros Autores: | , |
| Formato: | Capítulo de libro |
| Lenguaje: | Inglés |
| Publicado: |
2011
|
| Acceso en línea: | Registro en Scopus DOI Handle Registro en la Biblioteca Digital |
| Aporte de: | Registro referencial: Solicitar el recurso aquí |
| LEADER | 12142caa a22012257a 4500 | ||
|---|---|---|---|
| 001 | PAPER-10545 | ||
| 003 | AR-BaUEN | ||
| 005 | 20230518204036.0 | ||
| 008 | 140217s2011 xx ||||fo|||| 00| 0 eng|d | ||
| 024 | 7 | |2 scopus |a 2-s2.0-80052478723 | |
| 040 | |a Scopus |b spa |c AR-BaUEN |d AR-BaUEN | ||
| 030 | |a CAMIA | ||
| 100 | 1 | |a Colombo, F. | |
| 245 | 1 | 4 | |a The crystal structure of the elusive huemulite |
| 260 | |c 2011 | ||
| 270 | 1 | 0 | |m Colombo, F.; CONICET-Cátedra de Geología General, Facultad de Ciencias Exactas, Físicas y Naturales, Universidad National de Córdoba, Av. Vélez Sarsfield 1611, (X50I6GCA) Córdoba, Argentina |
| 506 | |2 openaire |e Política editorial | ||
| 504 | |a Adams, S., Relationship between bond valence and bond softness of alkali halides and chalcogenides (2001) Acta Crystallographica Section B: Structural Science, 57 (3), pp. 278-287. , DOI 10.1107/S0108768101003068 | ||
| 504 | |a Allen, F.H., The Cambridge Structural Database: A quarter of a million crystal structures and rising (2002) Acta Crystallographica Section B: Structural Science, 58 (3 PART 1), pp. 380-388. , DOI 10.1107/S0108768102003890 | ||
| 504 | |a Allmann, R., Beziehungen zwischen Bindungslängen und Bindungsstärtken in Oxidstrukturen (1975) Monatsh. Chem., 106, pp. 779-793 | ||
| 504 | |a Altomare, A., Cascarano, G., Glacovazzo, C., Guagliardi, A., Burla, M.C., Polidori, G., Camalli, M., SIR92 - A program for automatic solution of crystal structures by direct methods (1994) J. Appl. Crystallogr., 27, p. 435 | ||
| 504 | |a Brese, N.E., O'Keeffe, M., Bond-valence parameters for solids (1991) Acta Crystallogr., B47, pp. 192-197 | ||
| 504 | |a Brown, I.D., The bond-valence method: An empirical approach to chemical structure and bonding (1981) Structure and Bonding in Crystals II, pp. 1-30. , M. O'Keeffe & A. Navrotsky, eds.. Academic Press, New York, N. Y | ||
| 504 | |a Brown, I.D., Recent developments in the methods and applications of the bond valence model (2009) Chem. Rev., 109, pp. 6858-6919 | ||
| 504 | |a Brown, I.D., Altermatt, D., Bond-valence parameters obtained from a systematic analysis of the Inorganic Crystal Structure Database (1985) Acta Crystallogr., B41, pp. 244-247 | ||
| 504 | |a Echigo, T., Kimata, M., Crystal chemistry and genesis or organic minerals: A review of oxalate and polycyclic aromatic hydrocarbon minerals (2010) Can. Mineral., 48, pp. 1329-1357 | ||
| 504 | |a Evans Jr., H.T., Garrels, R.M., Thermodynamic equilibria of vanadium in aqueous systems as applied to the interpretation of the Colorado Plateau ore deposits (1958) Geochim. Cosmochim. Acta, 15, pp. 131-149 | ||
| 504 | |a Gordillo, C.E., Linares, E., Toubes, R.O., Winchell, H., Huemulite, Na4MgV10O28·24H 2O, a new hydrous sodium and magnesium vanadate from Huemul mine, Mendoza Province, Argentina (1966) Am. Mineral., 51, pp. 1-13 | ||
| 504 | |a Hawthorne, F.C., Graphical enumeration of polyhedral clusters (1983) Acta Crystallogr., A39, pp. 724-736 | ||
| 504 | |a Hawthorne, F.C., Bond topology, bond valence and structure stability. In The Stability of Minerals (1992) The Mineralogical Society, Ser., 3, pp. 25-87. , G. D. Price & N. L. Ross, eds | ||
| 504 | |a Hawthorne, F.C., Structure and chemistry of phosphate minerals (1998) Mineral. Mag., 62, pp. 141-164 | ||
| 504 | |a Hawthorne, F.C., Schindler, M., Understanding the weakly bonded constituents in oxysalt minerals (2008) Z. Kristallogr., 223, pp. 41-68 | ||
| 504 | |a Hughes, J.M., Schindler, M., Francis, C.A., The C2/m disordered structure of pascoite, Ca3[V10 O28]17H2O: Bonding between structural units and interstitial complexes in compounds containing the [V10O 28]6- decavanadate polyanion (2005) Canadian Mineralogist, 43 (4), pp. 1379-1386 | ||
| 504 | |a Hughes, J.M., Schindler, M., Rakovan, J., Cureton, F.E., The crystal structure of hummerite, KMg(V5O 14)8H2O: Bonding between the [V10O 28]6- structural unit and the {K2Mg 2(H2O)16}6+ interstitial complex (2002) Canadian Mineralogist, 40 (5), pp. 1429-1435 | ||
| 504 | |a Hughes, J.M., Wise, W.S., Gunter, M.E., Morton, J.P., Rakovan, J., Lasalite, Na2Mg2[V10O 28]·20H2O, a new decavanadate mineral species from the Vanadium Queen mine, La Sal District, Utah: Description, atomic arrangement, and relationship to the pascoite group of minerals (2008) Can. Mineral., 46, pp. 1365-1372 | ||
| 504 | |a (2008) Inorganic Crystal Structure Database, , http://www.fiz-karlsruhe.de/icsd.html, ICSD, FIZ - Karlsruhe, Germany & the National Institute of Standards and Technology NIST, USA | ||
| 504 | |a Kampf, A.R., Steele, I.M., Magnesiopascoite, a new member of the pascoite group: Description and crystal structure (2008) Can. Mineral., 46, pp. 679-686 | ||
| 504 | |a Marvin, R., Magin Jr., G.B., Syntheses of calcium vanadate minerals and related compounds VIII (1959) US. Geol. Surv., Prof. Pap., 320, pp. 103-111 | ||
| 504 | |a Miras, H.N., Raptis, R.G., Lalioti, N., Sigalas, M.P., Baran, P., Kabanos, T.A., A novel series of vanadium-sulfite polyoxometalates: Synthesis, structural, and physical studies (2005) Chemistry - A European Journal, 11 (8), pp. 2295-2306. , DOI 10.1002/chem.200400203 | ||
| 504 | |a Schindler, M., Hawthorne, F.C., A bond-valence approach to the structure, chemistry and paragenesis of hydroxy-hydrated oxysalt minerals. II. Crystal structure and chemical composition of borate minerals (2001) Canadian Mineralogist, 39 (5), pp. 1243-1256 | ||
| 504 | |a Schindler, M., Hawthorne, F.C., A bond-valence approach to the structure, chemistry and paragenesis of hydroxy-hydrated oxysalt minerals. III. Paragenesis of borate minerals (2001) Canadian Mineralogist, 39 (5), pp. 1257-1274 | ||
| 504 | |a Schindler, M., Hawthorne, F.C., A bond-valence approach to the structure, chemistry and paragenesis of hydroxy-hydrated oxysalt minerals. I. Theory (2001) Canadian Mineralogist, 39 (5), pp. 1225-1242 | ||
| 504 | |a Schindler, M., Hawthorne, F.C., A bond-valence approach to the uranyl-oxide hydroxy-hydrate minerals: Chemical composition and occurrence (2004) Canadian Mineralogist, 42 (6), pp. 1601-1627 | ||
| 504 | |a Schindler, M., Hawthorne, F.C., Baur, W.H., A crystal-chemical approach to the composition and occurrence of vanadium minerals (2000) Canadian Mineralogist, 38 (6), pp. 1443-1456 | ||
| 504 | |a Schindler, M., Hawthorne, F.C., Baur, W.H., Crystal chemical aspects of vanadium: Polyhedral geometries, characteristic bond valences, and polymerization of (VOn) polyhedra (2000) Chem. Mater, 12, pp. 1248-1259 | ||
| 504 | |a Sheldrick, G.M., A short history of SHELX (2008) Acta Crystallogr., A64, pp. 112-122 | ||
| 504 | |a Spek, A.L., Single-crystal structure validation with the program PLATON (2003) J. Appl. Crystallogr., 36, pp. 7-13 | ||
| 504 | |a Sun, Z.-G., Long, L.-S., Ren, Y.-P., Huang, R.-B., Zheng, L.-S., Ng, S.W., Tetradecaaquatetrasodium hexaaquanickel (II) decavanadate (V) trihydratc (2002) Acta Crystallogr., E58, pp. 34-36 | ||
| 504 | |a Tytko, K.H., Mehmke, J., Kurad, D., Bond length - Bond valence relationships with particular reference to polyoxometalate chemistry (1999) Structure and Bonding, 93, pp. 1-66 | ||
| 504 | |a Wanty, R.B., Goldhaber, M.B., Themodynamics and kynetics of reactions involving vanadium in natural systems: Accumulation of vanadium in sedimentary rocks (1992) Geochim. Cosmochim. Acta, 56, pp. 1471-1483 | ||
| 504 | |a Wood, R.M., Palenik, G.J., Bond valence sums in coordination chemistry. Sodium-oxygen complexes (1999) Inorg. Chem., 38, pp. 3926-3930 | ||
| 520 | 3 | |a The crystal structures of natural huemulite from the West Sunday mine, Utah, USA, and synthetic huemulite, Na4Mg(V10O 28)·24H2O, have been solved and refined to R 1 = 0.0313 (for 3535 unique F0 > AσF reflections) and 0.0246 (for 3672 unique F0 > 4σF reflections), respectively. Huemulite is triclinic, space group P1̄, Z = 1; unit-cell dimensions of the natural sample are a 9.0453(2), b 11.3337(3),c 11.7372(8) Å, α 105.223(7), β 97.383(7), γ 100.790(7)°, V 1120.30(9) Å3, whereas those of the synthetic sample are a 9.0425(2), b 11.3303(2), c 11.7353(8) Å, α 105.222(7), β 97.377(7), γ 100.791(7)°, V 1119.47(8) Å3. The structure consists of decavanadate oxyanions (V10O28) 6- linked via an interstitial complex composed of isolated [Mg(H 2O)6]2+ octahedra and an [Na4(H 2O)14]4+ cationic group (defining an infinite zigzag chain). There are also four isolated H2O groups, two of them positionally disordered. All except four H atoms have been located, showing a network of hydrogen bonds that further links the interstitial complex and the structural unit, stabilizing the atomic arrangement. The Lewis acidity of the interstitial complex (0.18) is almost coincident with the upper limit of basicity of the structural unit (0.17), thus showing that the valencematching principle is maintained in this structure. It is probable that the X-ray pattern and the unit-cell dimensions in the original description of huemulite were measured using a mixture that included fully hydrated and partially dehydrated material. Huemulite is a member of the pascoite group, which is closely related to a synthetic family of general formula Na4M(V10O 28)·23H2O (M: Ni, Mg).The unit cell and atomic positions of huemulite are related to those of the synthetic family by the transformation matrix M = [100/011/011̄]. However, some of the symmetry restrictions (e.g., inversion centers, cell centering) present in huemulite are relaxed, with the consequence that fewer atoms are symmetry-related in the synthetic materials. |l eng | |
| 593 | |a CONICET-Cátedra de Geología General, Facultad de Ciencias Exactas, Físicas y Naturales, Universidad National de Córdoba, Av. Vélez Sarsfield 1611, (X50I6GCA) Córdoba, Argentina | ||
| 593 | |a Departamento de Física, Lab. TANDAR, Comisión National de Energía Atómica, Av. Gral Paz 1499, (BI650KNA) San Martín, Buenos Aires, Argentina | ||
| 593 | |a Mineral Sciences Department, Natural History Museum of Los Angeles County, 900 Exposition Boulevard, Los Angeles, CA 90007, United States | ||
| 690 | 1 | 0 | |a DECAVANADATE |
| 690 | 1 | 0 | |a HUEMULITE |
| 690 | 1 | 0 | |a HYDROGEN BONDING |
| 690 | 1 | 0 | |a PASCOITE FAMILY |
| 690 | 1 | 0 | |a VALENCE-MATCHING PRINCIPLE |
| 690 | 1 | 0 | |a ATOMIC ARRANGEMENT |
| 690 | 1 | 0 | |a ATOMIC POSITIONS |
| 690 | 1 | 0 | |a CATIONIC GROUPS |
| 690 | 1 | 0 | |a DECAVANADATE |
| 690 | 1 | 0 | |a HUEMULITE |
| 690 | 1 | 0 | |a INTERSTITIAL COMPLEXES |
| 690 | 1 | 0 | |a INVERSION CENTER |
| 690 | 1 | 0 | |a LEWIS ACIDITY |
| 690 | 1 | 0 | |a OXYANIONS |
| 690 | 1 | 0 | |a PASCOITE |
| 690 | 1 | 0 | |a SPACE GROUPS |
| 690 | 1 | 0 | |a STRUCTURAL UNIT |
| 690 | 1 | 0 | |a SYNTHETIC MATERIALS |
| 690 | 1 | 0 | |a TRANSFORMATION MATRICES |
| 690 | 1 | 0 | |a UNIT CELLS |
| 690 | 1 | 0 | |a UNIT-CELL DIMENSIONS |
| 690 | 1 | 0 | |a UPPER LIMITS |
| 690 | 1 | 0 | |a UTAH , USA |
| 690 | 1 | 0 | |a VALENCE-MATCHING PRINCIPLE |
| 690 | 1 | 0 | |a X-RAY PATTERNS |
| 690 | 1 | 0 | |a ZIGZAG CHAINS |
| 690 | 1 | 0 | |a ATOMS |
| 690 | 1 | 0 | |a HYDROGEN |
| 690 | 1 | 0 | |a HYDROGEN BONDS |
| 690 | 1 | 0 | |a LINEAR TRANSFORMATIONS |
| 690 | 1 | 0 | |a CRYSTAL ATOMIC STRUCTURE |
| 690 | 1 | 0 | |a CHEMICAL BONDING |
| 690 | 1 | 0 | |a CRYSTAL CHEMISTRY |
| 690 | 1 | 0 | |a CRYSTAL STRUCTURE |
| 690 | 1 | 0 | |a HUEMULITE |
| 690 | 1 | 0 | |a LATTICE DYNAMICS |
| 690 | 1 | 0 | |a PASCOITE |
| 690 | 1 | 0 | |a SYMMETRY |
| 690 | 1 | 0 | |a UNITED STATES |
| 690 | 1 | 0 | |a UTAH |
| 700 | 1 | |a Baggio, R. | |
| 700 | 1 | |a Kampf, A.R. | |
| 773 | 0 | |d 2011 |g v. 49 |h pp. 849-864 |k n. 3 |p Can. Mineral. |x 00084476 |w (AR-BaUEN)CENRE-833 |t Canadian Mineralogist | |
| 856 | 4 | 1 | |u http://www.scopus.com/inward/record.url?eid=2-s2.0-80052478723&partnerID=40&md5=e56b397873e900df447abd0f660b61a8 |y Registro en Scopus |
| 856 | 4 | 0 | |u https://doi.org/10.3749/canmin.49.3.849 |y DOI |
| 856 | 4 | 0 | |u https://hdl.handle.net/20.500.12110/paper_00084476_v49_n3_p849_Colombo |y Handle |
| 856 | 4 | 0 | |u https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_00084476_v49_n3_p849_Colombo |y Registro en la Biblioteca Digital |
| 961 | |a paper_00084476_v49_n3_p849_Colombo |b paper |c PE | ||
| 962 | |a info:eu-repo/semantics/article |a info:ar-repo/semantics/artículo |b info:eu-repo/semantics/publishedVersion | ||
| 999 | |c 71498 | ||