Strukturelle Untersuchungen an Arsenbrackebuschit

Zusammenfassung Röntgenographische Untersuchungen an Einkristallen von Arsenbrackebuschit, Pb₂(Fe, Zn)(OH, OH₂) (AsO₄)₂ (mit FeZn21), ergaben die RaumgruppeP2₁/m mita ₀=7,763(1) Å,b ₀=6.046(1) Å,c ₀=9.022(1)Å, =112,5(1)°,V=391,2(1) ų,Z=2 und _x =6,54 g/cm³. Dreidimensionale Fouriersynthesen und Verfeinerungen nach der Methode der kleinsten Quadrate bis zu einemR-Wert von 0,073 zeigten, daß das neue Mineral strukturell einer Gruppe von Blei-Mineralen der allgemeinen Formel Pb₂ Me(Z) (XO₄) (YO₄) — mitMe=Cu²⁺, Mn²⁺, Zn²⁺, Fe³⁺;X=S, Cr, V, As;Y=P, As, V;Z=OH, OH₂ — zuzuordnen ist. Vertreter dieser Gruppe sind z. B. Tsumebit Pb₂Cu(OH) (SO₄) (PO₄), Vauquelinit Pb₂Cu(OH) (CrO₄) (PO₄) und auch Brackebuschit Pb₂(Mn, Fe) (OH₂) (VO₄)₂. Strukturelle Verwandtschaft besteht mit Tsumcorit Pb(Zn, Fe)₂(OH, OH₂)₂(AsO₄)₂, einem weiteren Blei-Arsenat der gleichen Lagerstätte.

---

Structural investigation of arsenbrackebuschite

Summary X-ray single crystal work on arsenbrackebuschite, Pb₂(Fe, Zn) (OH, OH₂) (AsO₄)₂ (with FeZn21), gave space groupP2₁/m witha ₀=7.763(1),b ₀=6.046(1),c ₀=9.022(1) Å, =112.5(1)°,V=391.2(1) ų,Z=2 and _x =6,54 g/cm³. 3-dimensional Fourier syntheses and least-squares refinement (finalR=0.073) showed that the new mineral belongs to a group of lead minerals with the general formula Pb₂ Me(Z) (XO₄) (YO₄)Me=Cu²⁺, Mn²⁺, Zn²⁺, Fe²⁺, Fe³⁺;X=S, Cr, V, As; Y=P, As, V;Z=OH, OH₂. Members of this group, are for example tsumebite, Pb₂Cu(OH) (SO₄)(PO₄), vauquelinite, Pb₂Cu(OH) (CrO₄) (PO₄), and brackebuschite, Pb₂ (Mn, Fe) (OH₂) (VO₄)₂. A structural relationship exists to tsumcorite, Pb(Zn, Fe)₂(OH, OH₂)₂ (AsO₄)₂, another lead-arsenate from Tsumeb.

---

---

Mit 2 Abbildungen     

Efficient finite-difference modelling of seismic waves using locally adjustable time steps

Conventional finite-difference modelling algorithms for seismic forward modelling are based on a time-stepping scheme with a constant (global) time step. Large contrasts in the velocity model or in the spatial sampling rate cause oversampling in time for some regions of the model. The use of locally adjustable time steps can save large amounts of computation time for certain modelling configurations. The computation of spatial derivatives across the transition zone between regions of the model with different temporal sampling requires the definition of the wavefield at corresponding time levels on both sides of the transition zone. This condition can be obtained by extrapolation in time, which is inaccurate, or by multiple time integration in the transition zone. The error in the latter solution is of the same order as the conventional time-stepping scheme because both methods are based on the same iteration formula. The technique of multiple time integration simply requires the use of different sizes of time step. It is applicable only for certain factors of variation of the time step.     

Orschallite,Ca3(SO3)2 · SO4 · 12H2O,a new calcium-sulfite-sulfate-hydrate mineral

Summary The new mineral orschallite, Ca₃(SO₃)₂SO₄ · 12H₂O, was found at the Hannebacher Ley near Hannebach, Eifel, Germany. Crystal structure analysis of the mineral, chemical analysis and water determination on synthetic material gave the composition Ca₃(SO₃)₂SO₄ · 12H₂O. The mineral crystallizes in space group with a = 11.350(1), c = 28.321(2) Å, V = 3159.7 ų, Z = 6, D_c = 1.87 Mg/m³, D_m = 1.90(3) Mg/m³. It is uniaxial positive with the optical constants = 1.4941, = 1.4960(4). The strongest lines in the powder pattern are (d-value (Å), I, hkl) 5.73, 100, 1 0 4/8.11, 80, 0 1 2/2.69, 80, 3 0 6/3.63, 60, 1 1 6/3.28, 40, 3 0 0. Refinement of the crystal structure led to a weighted residual of R_w = 0.043 for 600 observed reflections with I > 2(I) and 52 variable parameters.

---

Orschallit, Ca₃(SO₃)₂SO₄ · 12H₂O, ein neues Kalzium-Sulfat-Sulfat-Hydrat-Mineral

Zusammenfassung Das neue Mineral Orschallit, Ca₃(SO₃)₂SO₄ · 12H₂O, wurde in der Hannebacher Ley bei Hannebach, Eifel, Deutschland gefunden. Eine Analyse der Kristallstruktur an einem Einkristall des natürlichen Materials, chemische Analyse und Wasserbestimmung an synthetischem Material ergaben die Zusammensetzung Ca₃(SO₃)₂SO₄ · 12H₂O. Das Mineral kristallisiert in der Raumgruppe mit a = 11.350(1), c = 28.321(2) Å, V = 3159.7 ų, Z = 6, D_c = 1.87 Mg/m³, D_m = 1.90(3) Mg/m³. Es ist optisch einachsig mit den optischen Konstanten = 1.4941, = 1.4960(4). Die stärksten Linien des Pulver-diagramms liegen bei (d-Wert (Å), I, hkl) 5.73, 100, 1 0 4/8.11, 80, 0 1 2/2.69, 80, 3 0 6/3.63, 60; 1 1 6/3.28, 40, 3 0 0. Die Verfeinerung der Kristallstruktur ergab einen gewichteten Residualwert R_w = 0.043 für 600 beobachtete Reflexe mit I > 2(I) und 52 variable Parameter.

---

---

With 5 Figures     

Li-bearing, disordered Mg-rich tourmaline from a pegmatite-marble contact in the Austroalpine basement units (Styria, Austria)

Pale-blue to pale-green tourmalines from the contact zone of Permian pegmatites to mica schists and marbles from different localities of the Austroalpine basement units (Rappold Complex) in Styria, Austria, are characterized. All these Mg-rich tourmalines have small but significant Li contents, up to 0.29 wt% Li₂O, and can be characterized as dravite, with FeO contents of ?~?0.9–2.7 wt%. Their chemical composition varies from ^X (Na_0.67Ca_0.19?K_0.02?_0.12) ^Y (Mg_1.26Al_0.97Fe²⁺ _0.36Li_0.19Ti⁴⁺ _0.06Zn_0.01?_0.15) ^Z (Al_5.31?Mg_0.69) (BO₃)₃ Si₆O₁₈ ^V (OH)₃? ^W [F_0.66(OH)_0.34], with a?=?15.9220(3), c?=?7.1732(2) Å to ^X (Na_0.67Ca_0.24?K_0.02?_0.07) ^Y (Mg_1.83Al_0.88Fe²⁺ _0.20Li_0.08Zn_0.01Ti⁴⁺ _0.01?_0.09) ^Z (Al_5.25?Mg_0.75) (BO₃)₃ Si₆O₁₈ ^V (OH)₃? ^W [F_0.87(OH)_0.13], with a?=?15.9354(4), c?=?7.1934(4) Å, and they show a significant Al-Mg disorder between the Y and the Z sites (R1?=?0.013–0.015). There is a positive correlation between the Ca content and?<?Y-O?>?distance for all investigated tourmalines (r?≈?1.00), which may reflect short-range order configurations including Ca and Fe²⁺, Mg, and Li. The tourmalines have X_Mg (X_Mg?=?Mg/Mg?+?Fe_total) values in the range 0.84–0.95. The REE patterns show more or less pronounced negative Eu and positive Yb anomalies. In comparison to tourmalines from highly-evolved pegmatites, the tourmaline samples from the border zone of the pegmatites of the Rappold Complex contain relatively low amounts of total REE (~8–36 ppm) and Th (0.1–1.8 ppm) and have low La_N/Yb_N ratios. There is a positive correlation (r?≈?0.91) between MgO of the tourmalines and the MgO contents of the surrounding mica schists. We conclude that the pegmatites formed by anatectic melting of mica schists and paragneisses in Permian time. The tourmalines crystallized from the pegmatitic melt, influenced by the metacarbonate and metapelitic host rocks.     

Bellbergite—a new mineral with the zeolite structure type EAB

Summary The new mineral bellbergite, (K, Ba, Sr)₂Sr₂Ca₂(Ca, Na)₄Al₁₈Si₁₈O₇₂ · 30H₂O, has been found in Ca-rich xenoliths at the Bellberg volcano near Mayen, Eifel, Germany. It occurs as well formed bipyramids with a length up to 0.3 mm. Possible space groups are P6₃/mmc, P62c and P6₃mc with a = 13.244(1) Å, c = 15.988(2) Å, V = 2429 ų, Z = 1. The density is: D_m, = 2.20(2) Mg/m³, D_c = 2.19 Mg/m³. The empirical formula based on 72 oxygen atoms is: Ba_0.26Na_0.72K_1.33Sr_2.36Ca_5.32Al_17.55Si_18.36O₇₂ · 30H₂O. The mineral is uniaxial negative with = 1.522(2) and = 1.507(2) ( = 589 nm). The strongest lines in the X-ray powder pattern are (d (Å), I, hkl): 3.80 (100) (300, 212, 104), 6.58 (80) (102), 2.95 (70) (312, 214), 2.21 (70) (330), 2.70 (50) (402), 2.50 (50) (410, 314), 1.83 (50) (416). The crystal structure corresponds to the zeolite structure type EAB.

---

Bellbergit—ein neues Mineral mit dem Zeolith-Strukturtyp EAB

Zusammenfassung Das neue Mineral Bellbergit, (K, Ba, Sr)₂Sr₂Ca₂(Ca, Na)₄AlP₁₈OPub₇₂· 30H₂O, wurde in Ca-reichen Xenolithen am Bellberg bei Mayen, Eifel, Deutschland gefunden. Es kommt als gut ausgebildete hexagonale Dipyramiden mit einer Länge von bis zu 0.3 mm vor. Mögliche Raumgruppen sind P6₃/mcc, P62c und P63mc mit a = 13.244(1) Å, c = 15.988(2) Å, V = 2429 ų und Z = 1. Die Dichte beträgt D_m = 2.20(2) Mg/m³, D_c = 2.19 Mg/m³. Die chemische Formel basierend auf 72 Sauerstoffatomen lautet: Ba_0.26Na_0.72K_1.33Sr_2.36Ca_5.32Al_17.55Si_18.36O₇₂ · 30H₂O. Das Mineral ist einachsig negativ mit = 1.522(2) und = 1.507(2) ( = 589nm). Die stärksten Linien des Pulverdiagramms liegen bei (d(Å), I, hkl): 3.80 (100) (300, 212,104), 6.58 (80) (102), 2.95 (70) (312, 214), 2.21 (70) (330), 2.70 (50) (402), 2.50 (50) (410, 314), 1.83 (50) (416). Die Kristallstruktur entspricht dem Zeolith-Strukturtyp EAB.

---

---

With 1 Figure     

Batiferrite, Ba[Ti2Fe10]O19, a new ferrimagnetic magnetoplumbite-type mineral from the Quaternary volcanic rocks of the western Eifel area, Germany

Summary Batiferrite, ideally Ba[Ti₂Fe₁₀]O₁₉, was found in the Quaternary volcanic rocks near üdersdorf, Graulai, and Altburg, western Eifel area, Germany. The new mineral typically occurs as euhedral platy grains in cavities of melilite- and leucite-nephelinite basalts. Associated minerals are hematite, magnetite, titanite, g?tzenite, clinopyroxene, nepheline, and biotite. It exhibits a hexagonal tabular habit flattened on {0001}, diameter 0.5–1 mm, thickness 20–125 μm, and {10&1macr;3}, {10&1macr;0} as observable forms. The mineral is opaque, of black color with submetallic lustre, and shows a ferrimagnetic behavior. VHN₅₀ is 793 with a range of 710–841 from ten indentations. The quantitative reflectance measurements of R_o/R_e on oriented grains in air and oil immersion, respectively, are [%]: for 470 nm 22.1/20.1 and 8.4/7.1, for 546 nm 21.0/19.4 and 7.8/6.6, for 589 nm 20.2/18.8 and 7.4/6.3, and for 650 nm 19.3/18.3 and 6.8/5.9. The bireflectance is distinct (air) to weak (oil), and parallel (0001) a moderate anisotropy with straight extinction can be observed. Typical microprobe analyses give [wt%] K₂O 0.28–0.33, Na₂O 0.17–0.20, SrO 0.46–0.55, BaO 11.80–12.17, MgO 1.27–1.47, Al₂O₃ 0.31–0.33, TiO₂ 13.11–13.63, MnO 2.38–2.57, Fe₂O₃ 61.36–63.12, FeO 5.49–5.86 (Fe³⁺/Fe²⁺ calculated for charge compensation), which is equivalent to (Ba_0.84Na_0.06K_0.06Sr_0.05)_1.01(Fe_8.48 ³⁺Fe_0.86 ²⁺Ti_1.82Mg_0.37Mn_0.37Al_0.06)_11.96O₁₉ as the average composition based on 19 oxygen atoms. Batiferrite is a magnetoplumbite-type mineral with hexagonal symmetry, space group P6 ₃ /mmc (no. 194), a = 5.909(1) ?, c = 23.369(4) ?, V = 706.6(2) ?³, Z = 2, and a calculated density of 5.016 gcm⁻³. The structure was refined to R1 = 0.031 for 278 unique reflections with F_o ² > 4σ (F_o ²) and R1 = 0.079 for all 452 unique observations using single crystal X-ray data. The strongest reflections of the X-ray powder diffraction pattern are [d _obs, I/I_o, (hkl)]: 2.631, 100, (114); 2.799, 80, (107); 1.478, 70, (220); 2.429, 60, (203); 1.672, 50, (217). The new mineral is comparable to the other Ba containing magnetoplumbite-type minerals haggertyite and hawthorneite, the iron content, however, is much higher and in the range of magnetoplumbite. The large cation site (A) is dominated by Ba, and four of the five remaining crystallographic cation sites in the structure are dominated by Fe (M1, 2, 3, 5), the octahedrally coordinated M4-site is dominated by Ti. No oxygen vacancy on the O3-site like in plumboferrite can be observed. Batiferrite is named for its main chemical composition and the relationship to the M-type hexaferrites (polytype 5H).

---

Zusammenfassung Batiferrit, ein neues ferrimagnetisches Mineral des Magnetoplumbit-Typs aus den quart?ren Vulkaniten der West-Eifel, Deutschland Das neue Mineral Batiferrite, mit der Idealformel Ba[Ti₂Fe₁₀]O₁₉, wurde an drei Fundpunkten in den Quart?ren Vulkangesteinen der westlichen Eifel, Deutschland, in der N?he von üdersdorf, Graulai und Altburg gefunden. Das neue Mineral tritt typischerweise bl?ttchenf?rmig in kleinen Hohlr?umen von Melilith- und Leucit-Nephelininit Basalten auf. Vergesellschaftete Minerale sind H?matit, Magnetit, Titanit, G?tzenit, Klinopyroxen, Nephelin und Biotit. Der Habitus ist hexagonal tafelig nach {0001}, mit einem Durchmesser von 0.5–1 mm und einer Dicke von 20–125 μm, zus?tzlich k?nnen die Formen {10&1macr;3} und {10&1macr;0} beobachtet werden. Das Mineral ist opak, hat eine schwarze Farbe mit einem leicht metallischen Glanz, und ist ferromagnetisch. Die H?rte VHN₅₀ ist 793 mit einem Bereich von 710–841 aus 10 Eindruckbestimmungen. Die quantitativen Reflexionsmessungen von R_o/R_e an orientierten K?rnern in Luft beziehungsweise ?limmersion, ergaben [%]: für 470 nm 22.1/20.1 und 8.4/7.1, für 546 nm 21.0/19.4 und 7.8/6.6, für 589 nm 20.2/18.8 und 7.4/6.3, und für 650 nm 19.3/18.3 und 6.8/5.9. Die Bireflexion ist deutlich (Luft) bis schwach (?l) und parallel (0001) kann eine mittlere Anisotropie mit gerader Ausl?schung beobachtet werden. Eine typische Mikrosondenanalyse ergibt [wt%] K₂O 0.28–0.33, Na₂O 0.17–0.20, SrO 0.46–0.55, BaO 11.80–12.17, MgO 1.27–1.47, Al₂O₃ 0.31–0.33, TiO₂ 13.11–13.63, MnO 2.38–2.57, Fe₂O₃ 61.36–63.12, FeO 5.49–5.86 (Fe³⁺/Fe²⁺ berechnet zum Ladungsausgleich), die mittlere chemische Formel auf der Basis von 19 Sauerstoffatomen lautet (Ba_0.84Na_0.06K_0.06Sr_0.05)_1.01 (Fe_8.48 ³⁺Fe_0.86 ²⁺Ti_1.82Mg_0.37Mn_0.37Al_0.06)_11.96O ₁₉. Batiferrit ist ein Mineral der Magnetoplumbitgruppe, hat hexagonale Symmetrie mit der Raumgruppe P6₃/mmc (Nr. 194), a = 5.909(1) ?, c = 23.369(4) ?, V = 706.6(2) ?³, Z = 2, und einer berechneten Dichte von 5.016 gcm⁻³. Die Struktur wurde aus Einkristall-R?ntgendaten bis zu einem R1-Wert von 0.031 für 278 F_o ² > 4σ(F_o ²), und einem R1-Wert von 0.079 für alle 452 F_o ² verfeinert. Die st?rksten Beugungsreflexe der Pulver-R?ntgendaten sind [d_obs, I/I_o, (hkl)]: 2.631, 100, (114); 2.799, 80, (107); 1.478, 70, (220); 2.429, 60, (203); 1.672, 50, (217). Das neue Mineral weist deutliche ?hnlichkeiten zu den anderen beiden Ba-reichen Mineralen Haggertyit und Hawthorneit der Magnetoplumbit-Gruppe auf, jedoch ist der Eisengehalt wesentlich h?her und im Bereich des Minerals Magnetoplumbit. Der gro?e Kationenplatz (A) ist von Barium dominiert, vier (M1, 2, 3, 5) der restlichen fünf kristallographischen Kationenpl?tze in der Struktur sind fast ausschlie?lich mit Fe, die oktaedrisch koordinierte M4-Position ist überwiegend mit Ti besetzt. An der O3-Position konnte kein Sauerstoffdefizit wie in Plumboferrit festgestellt werden. Batiferrit ist nach seiner chemischen Beschaffenheit und nach seiner Zugeh?hrigkeit zu den M-Typ Hexaferriten (Polytyp 5H) benannt.

---

---

Received December 14, 1999; accepted March 2, 2000     

Focusing in Prestack Isochrone Migration Using Instantaneous Slowness Information

—Prestack migration finds increasing application in processing crustal seismic data. However, less effort has been made to incorporate slowness information in the imaging process. The combination of slowness information with migration leads to an improved image in the depth domain, especially by reducing migration artefacts and noise. A slowness-driven isochrone migration scheme is introduced for migration of 2-D seismic data. Instantaneous slowness information p(x, t) is extracted from the data using correlation analysis in moving time and space windows. Slowness values resulting from spatial coherent energy (signal) and incoherent background noise are distinguished by the simultaneous evaluation of an instantaneous coherence criterion g(x, t). In slowness-driven isochrone migration this information is used for locally weighting the amplitude A(x, t) smearing on the isochrone surface. In particular, slowness p and coherence criterion g determine position and sharpness of a Gaussian weighting function. The method is demonstrated using two synthetic data examples and is subsequently applied to two deep crustal data sets, one wide-angle (along DEKORP4) and one steep-angle reflection seismic observation (KTB8506). Both data sets were collected in the surroundings of the KTB drill site, Oberpfalz, as part of the German DEKORP project.     

Physikalische,chemische und hydrographische Untersuchungen eines Mittelgebirgsbaches: Ein Beitrag zur Typisierung kleiner Fließgewässer

Temperature, discharge, and chemical parameters were studied in the upper reach of a Black Forest stream over a three-year period. Additionally, investigations of the upstream tributaries and of downstream sites were conducted at some occasions. While monthly and annual means of water temperature exhibited only little year-to-year variations, average annual discharge differed considerably. Total suspended organic matter was correlated to total supended solids and discharge, orthophosphate and ammonium to temperature. Phosphorus was the only nutrient with a strong seasonal dynamic. Cumulative surface runoff of the upstream tributaries was inversely correlated to total discharge at the gauging station. Concentrations of Ca²⁺ and Mg²⁺ and accordingly specific conductivity increase in the longitudinal course of the stream, due to tributaries originating in the adjacent shell limestone and red marl formations.Mit finanzieller Unterstützung der Deutschen Forschungsgemeinschaft, Az. Schw. 63/27-1, 2, 3.     

Tube wave modeling by the finite-difference method with varying grid spacing

A finite-difference approach of aP-SV modeling scheme is applied to compute seismic wave propagation in heterogeneous isotropic media, including fluid-filled boreholes. The discrete formulation of the equation of motion requires the definition of the material parameters at the grid points of the numerical mesh. The grid spacing is chosen as coarse as possible with respect to the accurate representation of the shortest wavelength. If we assume frequencies lower than 250 Hz then the grid spacing is usually chosen in the range of a few meters. One encounters difficulties because of the large-scale difference between the grid spacing and the size of the borehole, usually several centimeters.These difficulties can be overcome by a grid refinement technique. This technique provides the construction of grids with varying grid spacing. The grid spacing in the vicinity of the borehole is chosen such that the borehole is properly represented. An example demonstrates the accuracy of this technique by comparisons with other methods. Unlike many analytical methods, the FD method can handle complex subsurface geometries. Further numerical examples of walk-awayVSP configurations show tube wave propagation within fluid-filled boreholes of realistic diameters.