scholarly journals Hydroxyapofylit-(K) z kamenolomu Těchlovice u Děčína (Česká republika)

2021 ◽  
Vol 29 (1) ◽  
pp. 124-130
Author(s):  
Zdeněk Dolníček ◽  
Jana Ulmanová ◽  
Karel Malý ◽  
Jaroslav Havlíček ◽  
Jiří Sejkora
Keyword(s):  
Basaltic Magma ◽  
Unit Cell Parameters ◽  
The Czech Republic ◽  
X Ray ◽  
Cell Parameters ◽  
High Partial Pressure ◽  
Main Components ◽  
The Town ◽  
Weak Contact ◽  
Single Locality

One xenolith of a contactly metamorphosed feldspar-hydroxyapophyllite hornfels from basaltic volcanite of the active quarry in Těchlovice village near-by the town of Děčín has been investigated. Its main components are represented by K-feldspar and hydroxyapophyllite-(K), which was hitherto reported from a single locality only in the territory of the Czech Republic. It forms grains up to 2 mm in size tightly associated with K-feldspar and subsidiary quartz, pyroxene (aegirine, enstatite-ferrosilite and diopside) and titanite. The unit cell parameters of hydroxyapophyllite-(K), derived from the powder X-ray data, are a = 8.975(4), c = 15.8371(3) Å and V = 1275.6(5) Å3. Chemical analyses correspond to the empirical formula K0.93Ca3.75Si7.87O20(OH0.96F0.04)·8 H2O. The xenolith originated by a comparatively weak contact metamorphic effect of the basaltic magma to a marly sediment under high partial pressure of H2O. Among xenoliths of North Bohemian Cainozoic volcanites the rock represents a rarity, which has not been known hitherto.

Daliranite, PbHgAs2S6, a new sulphosalt from the Zarshouran Au-As deposit, Takab region, Iran

2009 ◽  
Vol 73 (5) ◽  
pp. 871-881 ◽  
Author(s):  
W. H. Paar ◽  
A. Pring ◽  
Y. Moëlo ◽  
C. J. Stanley ◽  
H. Putz ◽  
...  
Keyword(s):  
Late Phase ◽  
Electron Diffraction Study ◽  
Ore Deposits ◽  
Unit Cell Parameters ◽  
Calculated Density ◽  
Crystallization Sequence ◽  
X Ray ◽  
Cell Parameters ◽  
Mohs Hardness ◽  
The Town

AbstractDaliranite, ideally PbHgAs2S6, a new sulphosalt from the Zarshouran Au-As deposit, Takab region, Iran, occurs as a rare sulphosalt species at the Carlin-type Zarshouran Au-As deposit North of the town of Takab in the Province of West Azarbaijan, Iran. The new species is associated with orpiment, rarely with galkhaite, hutchinsonite and cinnabar. The strongly silicified matrix of the specimens has veinlets of sphalerite, with rare inclusions of galena and various (Cu)-Pb-As(Sb) sulphosalts. Daliranite occurs as matted nests of acicular and flexible fibres up to 200 μm in length and a width less than a few μm. The colour is orange-red with a pale orange-red streak and the lustre is adamantine. The mineral is transparent and does not fluoresce. The Mohs hardness is <2. Electron microprobe analyses give the empirical formula Pb0.95Tl0.01Hg1.04As2.10S5.91, ideally PbHgAs2S6, a new sulphosalt from the Zarshouran Au-As deposit, Takab region, Iran; the calculated density is 5.93 g cm–3. Unit-cell parameters were determined by an electron-diffraction study and refined from X-ray powder data. Daliranite is monoclinic primitive with a = 19.113(5) Å, b = 4.233(2) Å, c = 22.958(8) Å, β = 114.78(5)°, V = 1686.4 Å3 and Z = 8, a:b:c = 4.515:1:5.424, space group P2, Pm or P2/m. The strongest X-ray powder-diffraction lines [d in Å, (I), (hkl)] are: 8.676, (80), (200); 4.654, (50), (401); 3.870, (40), (211); 3.394, (50), (113); 3.148, (40b), (602); 2.892, (50), (600); 2.724, (100), (703); 2.185, (50), (319). The formula shows a sulphur excess which may correspond to S—S bonding (persulphide). The new sulphosalt is a late phase in the crystallization sequence, and was formed after orpiment, contemporaneously with quartz II, at a temperature between 157 and 193°C. The name honours Dr Farahnaz Daliran (University of Karlsruhe, Germany) in recognition of her outstanding contributions to research on ore deposits, especially Au, Zn and Fe, in Iran.

scholarly journals Böhmit a doprovodná zeolitová mineralizace ze Soutěsek u Děčína (Česká republika)

2021 ◽  
Vol 29 (1) ◽  
pp. 164-177
Author(s):  
Petr Pauliš ◽  
Libor Hrůzek ◽  
Oldřich Janeček ◽  
Zdeněk Dolníček ◽  
Luboš Vrtiška ◽  
...  
Keyword(s):  
Czech Republic ◽  
Empirical Formula ◽  
Unit Cell ◽  
Chemical Analyses ◽  
Altered Rock ◽  
Unit Cell Parameters ◽  
X Ray ◽  
Cell Parameters ◽  
The Town

A new locality of böhmite and zeolite minerals, called „Soutěsky above the quarry“, occurs near the quarry „Soutěsky“ on the SW slope of the Hlídka hill, eastward of the Soutěsky village, about 5 km SW od the town of Děčín (Czech Republic). The mineralization is bound to vugs of Cenozoic volcanics. Böhmite forms mostly whitish to brownish hemispherical to spherical clusters up to 5 mm in size. The unit-cell parameters of böhmite, refined from the X-ray powder data, are a 2.871 (3), b 12.216(9), c 3.699(4) Å and V 129.7(2) Å3. Chemical analyses correspond to the empirical formula (Al0.92 Si0.06)Σ0.98O(OH). The following zeolites have been found in association with böhmite: thomsonite-Ca, phillipsite-K, gismondine, chabazite-Ca and analcime, as well as calcite. Minerals crystallized in following succession: calcite I → phillipsite-K → böhmite → calcite II → thomsonite-Ca → gismondine → calcite III. Independently, (older) analcime and (younger) chabazite-Ca occur. These minerals probably crystallized from low tempered solutions, enriched in Al ions and alkalies, the source of which can be found in altered rock-forming alumosilicates (analcime, nepheline).

scholarly journals Riomarinait z Cínovce - první výskyt velmi vzácného sulfátu bismutu v České republice

2020 ◽  
Vol 28 (2) ◽  
pp. 359-363
Author(s):  
Luboš Vrtiška ◽  
Petr Pauliš ◽  
Jiří Čejka ◽  
Radana Malíková ◽  
Zdeněk Dolníček ◽  
...  
Keyword(s):  
Monoclinic Space Group ◽  
Chemical Analyses ◽  
Powder Diffraction Data ◽  
Unit Cell Parameters ◽  
The Czech Republic ◽  
X Ray ◽  
Cell Parameters ◽  
First Occurrence ◽  
Native Bismuth ◽  
Lattice Modes

A very rare bismuth sulphate, riomarinaite, was found in an old abandoned shaft on a Sn-W deposit Cínovec near Teplice, Northern Bohemia. This is first occurrence of this generally very rare mineral in the Czech Republic. Riomarinaite forms grey and blue acicular and columnar crystals up to 30 μm in size in association with native bismuth and bismuthinite. Riomarinaite is monoclinic, space group P21/n, the unit-cell parameters refined from X-ray powder diffraction data are: a 6.0091(19), b 13.328(5), c 6.483(3) Å, β 112.91(5)˚ and V 478.3(3) Å3. Chemical analyses of riomarinaite correspond to the empirical formula (Bi1.10Ca0.02)Σ1.12[(SO4)0.92(MoO4)0.08]Σ1.00(OH)1.33·H2O on the basis of S + Mo = 1 apfu. Raman bands connected with vibrations of (OH)-, H2O, (SO4)2- groups, Bi-O bonds and lattice modes were observed in the Raman spectrum of riomarinaite.

Structural Study of a new Compound Based on Acid 1,4-Cyclohexanedicarboxylic (1,4-CDC)

2010 ◽  
Vol 6 (1) ◽  
pp. 891-896
Author(s):  
Manel Halouani ◽  
M. Dammak ◽  
N. Audebrand ◽  
L. Ktari
Keyword(s):  
Aqueous Solution ◽  
Water Molecules ◽  
Carboxyl Group ◽  
X Ray Diffraction ◽  
Compound I ◽  
Unit Cell Parameters ◽  
Monoclinic System ◽  
X Ray ◽  
Cell Parameters ◽  
Cyclohexanedicarboxylic Acid

One nickel 1,4-cyclohexanedicarboxylate coordination polymers, Ni2 [(O10C6H4)(COO)2].2H2O  (I), was hydrothermally synthesized from an aqueous solution of Ni (NO3)2.6H2O, (1,4-CDC) (1,4-CDC = 1,4-cyclohexanedicarboxylic acid) and tetramethylammonium nitrate. Compound (I) crystallizes in the monoclinic system with the C2/m space group. The unit cell parameters are a = 20.1160 (16) Å, b = 9.9387 (10) Å, c = 6.3672 (6) Å, β = 97.007 (3) (°), V= 1263.5 (2) (Å3) and Dx= 1.751g/cm3. The refinement converged into R= 0.036 and RW = 0.092. The structure, determined by single crystal X-ray diffraction, consists of two nickel atoms Ni (1) and Ni (2). Lots of ways of which is surrounded by six oxygen atoms, a carboxyl group and two water molecules.

scholarly journals Crystallization and preliminary X-ray diffraction analysis of the Csu pili CsuC–CsuA/B chaperone–major subunit pre-assembly complex fromAcinetobacter baumannii

2015 ◽  
Vol 71 (6) ◽  
pp. 770-774 ◽  
Author(s):  
Natalia Pakharukova ◽  
Minna Tuittila ◽  
Sari Paavilainen ◽  
Anton Zavialov
Keyword(s):  
Diffusion Method ◽  
X Ray Diffraction ◽  
Hanging Drop ◽  
Unit Cell Parameters ◽  
Gram Negative ◽  
X Ray ◽  
Cell Parameters ◽  
Abiotic Surfaces ◽  
Vapour Diffusion ◽  
Fimbrial Adhesins

The attachment of many Gram-negative pathogens to biotic and abiotic surfaces is mediated by fimbrial adhesins, which are assembledviathe classical, alternative and archaic chaperone–usher (CU) pathways. The archaic CU fimbrial adhesins have the widest phylogenetic distribution, yet very little is known about their structure and mechanism of assembly. To elucidate the biogenesis of archaic CU systems, structural analysis of the Csu fimbriae, which are used byAcinetobacter baumanniito form stable biofilms and cause nosocomial infection, was focused on. The major fimbriae subunit CsuA/B complexed with the CsuC chaperone was purified from the periplasm ofEscherichia colicells co-expressing CsuA/B and CsuC, and the complex was crystallized in PEG 3350 solution using the hanging-drop vapour-diffusion method. Selenomethionine-labelled CsuC–CsuA/B complex was purified and crystallized under the same conditions. The crystals diffracted to 2.40 Å resolution and belonged to the hexagonal space groupP6422, with unit-cell parametersa=b= 94.71,c = 187.05 Å, α = β = 90, γ = 120°. Initial phases were derived from a single anomalous diffraction (SAD) experiment using the selenomethionine derivative.

Silicate-germanate K2Y[(Si3Ge)O10(OH)] with unusual complex corrugated layer and its correlation to ring silicate gerenite and chain silicate chkalovite

2020 ◽  
Vol 235 (4-5) ◽  
pp. 167-172
Author(s):  
Anastasiia P. Topnikova ◽  
Elena L. Belokoneva ◽  
Olga V. Dimitrova ◽  
Anatoly S. Volkov ◽  
Leokadiya V. Zorina
Keyword(s):  
Low Temperature ◽  
Cross Section ◽  
Complex Anion ◽  
Diffraction Experiment ◽  
X Ray Diffraction ◽  
Unit Cell Parameters ◽  
X Ray ◽  
Cell Parameters ◽  
Chain Silicate ◽  
Novel Complex

AbstractA new silicate-germanate K2Y[(Si3Ge)O10(OH)] was synthesized hydrothermally in a system Y2O3:GeO2:SiO2 = 1:1:2 (T = 280 °C; P = 90–100 atm.); K2CO3 was added to the solution as a mineralizer. Single-crystal X-ray diffraction experiment was carried out at low temperature (150 K). The unit cell parameters are a = 10.4975(4), b = 6.9567(2), c = 15.4001(6) Å, β = 104.894(4)°; V = 1086.86(7) Å3; space group is P 21/c. A novel complex anion is presented by corrugated (Si,Ge) tetrahedral layers connected by couples of YO6 octahedra into the mixed microporous framework with the channels along b and a axes, the maximal size of cross-section is ~5.6 Å. This structure has similarity with the two minerals: ring silicate gerenite (Ca,Na)2(Y,REE)3Si6O18 · 2H2O and chain silicate chkalovite Na2BeSi2O6. Six-member rings with 1̅ symmetry as in gerenite are distinguished in the new layer. They are mutually perpendicular to each other and connected by additional tetrahedra. Straight crossing chains in chkalovite change to zigzag four-link chains in the new silicate-germanate layer.

X-ray powder diffraction data of LaNi0.5Ti0.45Co0.05O3, LaNi0.45Co0.05Ti0.5O3, and LaNi0.5Ti0.5O3 perovskites

2021 ◽  
pp. 1-6
Author(s):  
Mariana M. V. M. Souza ◽  
Alex Maza ◽  
Pablo V. Tuza
Keyword(s):  
Crystal Structure ◽  
Rietveld Method ◽  
Pechini Method ◽  
Powder Diffraction Data ◽  
X Ray Diffraction ◽  
Unit Cell Parameters ◽  
X Ray ◽  
Cell Parameters ◽  
Modified Pechini Method ◽  
Scanning Electron

In the present work, LaNi0.5Ti0.45Co0.05O3, LaNi0.45Co0.05Ti0.5O3, and LaNi0.5Ti0.5O3 perovskites were synthesized by the modified Pechini method. These materials were characterized using X-ray fluorescence, scanning electron microscopy, and powder X-ray diffraction coupled to the Rietveld method. The crystal structure of these materials is orthorhombic, with space group Pbnm (No 62). The unit-cell parameters are a = 5.535(5) Å, b = 5.527(3) Å, c = 7.819(7) Å, V = 239.2(3) Å3, for the LaNi0.5Ti0.45Co0.05O3, a = 5.538(6) Å, b = 5.528(4) Å, c = 7.825(10) Å, V = 239.5(4) Å3, for the LaNi0.45Co0.05Ti0.5O3, and a = 5.540(2) Å, b = 5.5334(15) Å, c = 7.834(3) Å, V = 240.2(1) Å3, for the LaNi0.5Ti0.5O3.

scholarly journals Crystal Structure Refinements of Four Monazite Samples from Different Localities

Minerals ◽  
2020 ◽  
Vol 10 (11) ◽  
pp. 1028 ◽  
Author(s):  
M. Mashrur Zaman ◽  
Sytle M. Antao
Keyword(s):  
Crystal Structure ◽  
Electron Probe ◽  
Unit Cell Volume ◽  
Unit Cell ◽  
X Ray Diffraction ◽  
Unit Cell Parameters ◽  
X Ray ◽  
Cell Parameters ◽  
Large Unit Cell ◽  
A Site

This study investigates the crystal chemistry of monazite (APO4, where A = Lanthanides = Ln, as well as Y, Th, U, Ca, and Pb) based on four samples from different localities using single-crystal X-ray diffraction and electron-probe microanalysis. The crystal structure of all four samples are well refined, as indicated by their refinement statistics. Relatively large unit-cell parameters (a = 6.7640(5), b = 6.9850(4), c = 6.4500(3) Å, β = 103.584(2)°, and V = 296.22(3) Å3) are obtained for a detrital monazite-Ce from Cox’s Bazar, Bangladesh. Sm-rich monazite from Gunnison County, Colorado, USA, has smaller unit-cell parameters (a = 6.7010(4), b = 6.9080(4), c = 6.4300(4) Å, β = 103.817(3)°, and V = 289.04(3) Å3). The a, b, and c unit-cell parameters vary linearly with the unit-cell volume, V. The change in the a parameter is large (0.2 Å) and is related to the type of cations occupying the A site. The average <A-O> distances vary linearly with V, whereas the average <P-O> distances are nearly constant because the PO4 group is a rigid tetrahedron.

scholarly journals Synthesis, purification and crystallographic studies of the C-terminal sterol carrier protein type 2 (SCP-2) domain of human hydroxysteroid dehydrogenase-like protein 2

2015 ◽  
Vol 71 (7) ◽  
pp. 901-905 ◽  
Author(s):  
Zhong Cheng ◽  
Yao Li ◽  
Chun Sui ◽  
Xiaobo Sun ◽  
Yong Xie
Keyword(s):  
Catalytic Domain ◽  
Hydroxysteroid Dehydrogenase ◽  
Carrier Protein ◽  
Sterol Carrier Protein ◽  
X Ray Diffraction ◽  
Unit Cell Parameters ◽  
X Ray ◽  
Cell Parameters ◽  
Protein Molecules

Human hydroxysteroid dehydrogenase-like protein 2 (HSDL2) is a member of the short-chain dehydrogenase/reductase (SDR) subfamily of oxidoreductases and contains an N-terminal catalytic domain and a C-termianl sterol carrier protein type 2 (SCP-2) domain. In this study, the C-terminal SCP-2 domain of human HSDL2, including residues Lys318–Arg416, was produced inEscherichia coli, purified and crystallized. X-ray diffraction data were collected to 2.10 Å resolution. The crystal belonged to the trigonal space groupP3121 (orP3221), with unit-cell parametersa=b= 70.4,c= 60.6 Å, α = β = 90, γ = 120°. Two protein molecules are present in the asymmetric unit, resulting in a Matthews coefficient of 2.16 Å3 Da−1and an approximate solvent content of 43%.

Refinement of the crystal structure of sieleckiite and revision of its symmetry

2017 ◽  
Vol 81 (4) ◽  
pp. 917-922
Author(s):  
Peter Elliott
Keyword(s):  
Crystal Structure ◽  
Synchrotron Radiation ◽  
Single Crystal ◽  
Diffraction Data ◽  
X Ray Diffraction ◽  
Aluminium Phosphate ◽  
Unit Cell Parameters ◽  
X Ray ◽  
Cell Parameters ◽  
Phosphate Mineral

AbstractThe crystal structure of the copper aluminium phosphate mineral sieleckiite, Cu3Al4(PO4)2 (OH)12·2H2O, from the Mt Oxide copper mine, Queensland, Australia was solved from single-crystal X-ray diffraction data utilizing synchrotron radiation. Sieleckiite has monoclinic rather than triclinic symmetry as previously reported and is space group C2/m with unit-cell parameters a = 11.711(2), b = 6.9233(14), c = 9.828(2) Å, β = 92.88(3)°, V = 795.8(3) Å3and Z = 2. The crystal structure, which has been refined to R1 = 0.0456 on the basis of 1186 unique reflections with Fo > 4σF, is a framework of corner-, edge- and face- sharing Cu and Al octahedra and PO4 tetrahedra.

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