Chiyokoite, Ca3Si(CO3)[B(OH)4]O(OH)5·12H2O, a new ettringite-group mineral from the Fuka mine, Okayama Prefecture, Japan

2020 ◽  
Vol 58 (5) ◽  
pp. 653-662
Author(s):  
Inna Lykova ◽  
Nikita V. Chukanov ◽  
Igor V. Pekov ◽  
Vasiliy O. Yapaskurt ◽  
Leonid A. Pautov ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Chemical Composition ◽  
Infrared Spectrum ◽  
Hexagonal Prism ◽  
X Ray Diffraction ◽  
Group Mineral ◽  
X Ray ◽  
Ettringite Group ◽  
Okayama Prefecture ◽  
Anionic Groups

ABSTRACT The new ettringite-group mineral chiyokoite, ideally Ca3Si(CO3)[B(OH)4]O(OH)5·12H2O, was found in a hydrothermally altered calc-silicate skarn at the Fuka mine, Okayama Prefecture, Japan. Associated minerals are calcite, henmilite, and tacharanite. Chiyokoite occurs as hexagonal prismatic crystals up to 30 μm long and up to 20 μm thick. The major forms are the hexagonal prism {100} and monohedra {0001} and {000}. The crystals are combined in clusters which form friable nests up to 1 cm across. The mineral is pink to colorless with white streak and vitreous luster. The cleavage is parallel to {100} and {0001}, good. The fracture is stepped. Dmeas is 1.85(1) g/cm3, Dcalc is 1.85 g/cm3. Chiyokoite is optically uniaxial (–), ω = 1.523(2) and ε = 1.492(3) (589 nm). The infrared spectrum is reported. The chemical composition (wt.%) is CaO 27.56, B2O3 3.47, Al2O3 3.05, Fe2O3 0.12, As2O3 4.77, MnO2 0.32, SiO2 6.55, SO3 0.76, H2O 46.3, CO2 7.30, total 100.2. The empirical formula calculated on the basis of 3 Ca apfu is H31.37Ca3(Si0.67Al0.37Mn4+0.02Fe3+0.01)Σ1.07(C1.01B0.61As3+0.29S0.06)Σ1.97O24.19. The simplified general formula is Ca3(Si,Al)(CO3,AsO3)[B(OH)4,AsO3](OH)6·12H2O. Chiyokoite is hexagonal, P63, a = 11.0119(5), c = 10.5252(6) Å, and V = 1105.3(1) Å3. The strongest reflections of the powder X-ray diffraction pattern [d,Å(I)(hkl)] are: 9.53(100)(100), 5.50(24)(110), 4.618(11)(102), 3.812(23)(112), 3.412(15)(211), 2.726(14)(302), 2.521(19)(123), and 2.172(13)(320,402,223). The crystal structure, refined from single-crystal X-ray diffraction data [R1(F) = 0.042], is based on [Ca3(Si,Al)(OH)6(H2O)12] columns parallel to the c axis with B(OH)4– and CO32– and admixed AsO33– anionic groups in channels between the columns. The mineral is named in honor of Professor Chiyoko Henmi (1949–2018).

Shilovite, natural copper(II) tetrammine nitrate, a new mineral species

2015 ◽  
Vol 79 (3) ◽  
pp. 613-623 ◽  
Author(s):  
Nikita V. Chukanov ◽  
Sergey N. Britvin ◽  
Gerhard Möhn ◽  
Igor V. Pekov ◽  
Natalia V. Zubkova ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Chemical Composition ◽  
Infrared Spectrum ◽  
Copper Complex ◽  
New Mineral ◽  
X Ray Diffraction ◽  
Orthorhombic Space Group ◽  
X Ray ◽  
New Mineral Species ◽  
Mohs Hardness

AbstractThe new mineral shilovite, the first natural tetrammine copper complex, was found in a guano deposit located on the Pabellón de Pica Mountain, near Chanabaya, Iquique Province, Tarapacá Region, Chile. It is associated with halite, ammineite, atacamite (a product of ammineite alteration) and thénardite. The gabbro host rock consists of amphibole, plagioclase and minor clinochlore, and contains accessory chalcopyrite. The latter is considered the source of Cu for shilovite. The new mineral occurs as deep violet blue, imperfect, thick tabular to equant crystals up to 0.15 mm in size included in massive halite. The mineral is sectile. Its Mohs hardness is 2. Dcalc is 1.92 g cm–3. The infrared spectrum shows the presence of NH3 molecules and NO3– anions. Shilovite is optically biaxial (+), α = 1.527(2), β = 1.545(5), γ = 1.610(2). The chemical composition (electron-microprobe data, H calculated from ideal formula, wt.%) is Cu 26.04, Fe 0.31, N 30.8, O 35.95, H 4.74, total 100.69. The empirical formula is H12.56(Cu1.09Fe0.01)N5.87O6.00. The idealized formula is Cu(NH3)4(NO3)2. The crystal structure was solved and refined to R = 0.029 based upon 2705 unique reflections having F > 4σ(F). Shilovite is orthorhombic, space group Pnn2, a = 23.6585(9), b = 10.8238(4), c = 6.9054(3) Å, V = 1768.3(1) Å3, Z = 8. The strongest reflections of the powder X-ray diffraction pattern [d, Å (I,%) (hkl)] are: 5.931 (41) (400), 5.841 (100) (011), 5.208 (47) (410), 4.162 (88) (411), 4.005 (62) (420), 3.462 (50) (002), 3.207 (32) (031), 2.811 (40) (412).

Antipinite, KNa3Cu2(C2O4)4, a new mineral species from a guano deposit at Pabellón de Pica, Chile

2015 ◽  
Vol 79 (5) ◽  
pp. 1111-1121 ◽  
Author(s):  
Nikita V. Chukanov ◽  
Sergey M. Aksenov ◽  
Ramiza K. Rastsvetaeva ◽  
Konstantin A. Lyssenko ◽  
Dmitriy I. Belakovskiy ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Gas Chromatography ◽  
Chemical Composition ◽  
Infrared Spectrum ◽  
New Mineral ◽  
X Ray Diffraction ◽  
Triclinic Space Group ◽  
X Ray ◽  
New Mineral Species ◽  
Mohs Hardness

AbstractThe new oxalate mineral antipinite is found in a guano deposit located on the Pabellón de Pica Mountain, Iquique Province, Tarapacá Region, Chile. Associated minerals are halite, salammoniac, chanabayaite, joanneumite and clays. Antipinite occurs as blue, imperfect, short prismatic crystals up to 0.1 mm × 0.1 mm × 0.15 mm in size, as well as their clusters and random aggregates. The mineral is brittle. Mohs hardness is 2; Dmeas = 2.53(3), Dcalc = 2.549 g cm–3. The infrared spectrum shows the presence of oxalate anions and the absence of absorptions associated with H2O molecules, C–H bonds, CO32–, NO3– and OH– ions. Antipinite is optically biaxial (+), α = 1.432(3), β = 1.530(1), γ = 1.698(5), 2Vmeas = 75(10)°, 2Vcalc = 82°. The chemical composition (electron-microprobe data, C measured by gas chromatography of products of ignition at 1200°C, wt.%) is Na2O 15.95, K2O 5.65, CuO 27.34, C2O3 48.64, total 99.58. The empirical formula is K0.96Na3.04Cu2.03(C2.00O4)4 and the idealized formula is KNa3Cu2(C2O4)4. The crystal structure was solved and refined to R = 0.033 based upon 4085 unique reflections with I > 2σ(I). Antipinite is triclinic, space group P1, a = 7.1574(5), b = 10.7099(8), c = 11.1320(8) Å, α = 113.093(1), β = 101.294(1), γ = 90.335 (1)°, V = 766.51(3) Å3, Z = 2. The strongest reflections of the powder X-ray diffraction pattern [d, Å (I,%) (hkl)] are 5.22 (40) (111), 3.47 (100) (032), 3.39 (80) (210), 3.01 (30) (033, 220), 2.543 (40) (122, 034, 104), 2.481 (30) (213), 2.315 (30) (143, 310), 1.629 (30) (146, 414, 243, 160).

Fibrous Minerals and Synthetic Fibers

1989 ◽  
Author(s):  
H. Catherine W. Skinner ◽  
Malcolm Ross ◽  
Clifford Frondel
Keyword(s):  
Crystal Structure ◽  
Chemical Composition ◽  
Chemical Properties ◽  
Type Specimen ◽  
Mineral Species ◽  
X Ray Diffraction ◽  
X Ray ◽  
Synthetic Fibers ◽  
Fibrous Minerals ◽  
The Common

A mineral is a naturally occurring, crystalline inorganic compound with a specific chemical composition and crystal structure. Minerals are commonly named to honor a person, to indicate the geographic area where the mineral was discovered, or to highlight some distinctive chemical, crystallographic, or physical characteristic of the substance. Each mineral sample has some obvious properties: color, shape, texture, and perhaps odor or taste. However, to determine the precise composition and crystal structure necessary to accurately identify the species, one or several of the following techniques must be employed: optical, x-ray diffraction, transmission electron microscopy and diffraction, and chemical and spectral analyses. The long history of bestowing names on minerals has provided some confusing legacies. Many mineral names end with the suffix “ite,” although not most of the common species; no standard naming practice has ever been adopted. Occasionally different names have been applied to samples of the same mineral that differ only in color or shape, but are identical to each other in chemical composition and crystal structure. These names, usually of the common rock-forming minerals, are often encountered and are therefore accepted as synonyms or as varieties of bona fide mineral species. The Fibrous Minerals list (Appendix 1) includes synonyms. A formal description of a mineral presents all the physical and chemical properties of the species. In particular, distinctive attributes that might facilitate identification are noted, and usually a chemical analysis of the first or “type” specimen on which the name was originally bestowed is included. As an example, the complete description of the mineral brucite (Mg(OH)2), as it appears in Dana’s System of Mineralogy, is presented as Appendix 3. Note the complexity of this chemically simple species and the range of information available. In the section on Habit (meaning shape or morphology) both acicular and fibrous forms are noted. The fibrous variety, which has the same composition as brucite, is commonly encountered (see Fig. 1.1D) and is known by a separate name, “nemalite.” Tables to assist in the systematic determination of a mineral species are usually based on quantitative measurements of optical properties (using either transmitted or reflected light, as appropriate) or on x-ray diffraction data.

Somersetite, Pb8O(OH)4(CO3)5, a new complex hydrocerussite-related mineral from the Mendip Hills, England

2018 ◽  
Vol 82 (5) ◽  
pp. 1211-1224 ◽  
Author(s):  
Oleg I. Siidra ◽  
Diana O. Nekrasova ◽  
Rick Turner ◽  
Anatoly N. Zaitsev ◽  
Nikita V. Chukanov ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Infrared Spectrum ◽  
Weak Interactions ◽  
New Mineral ◽  
Single Crystal Xrd ◽  
X Ray Diffraction ◽  
Electron Pairs ◽  
Xrd Pattern ◽  
X Ray ◽  
Simplified Formula

ABSTRACTThe new mineral somersetite, has been found at Torr Works (‘Merehead quarry’) in Somerset, England, United Kingdom. Somersetite is green or white (typically it is similar visually to hydrocerussite-like minerals but with a mint-green tint), forms plates and subhedral grains up to 5 mm across and up to 2 mm thick. In bi-coloured crystals it forms very thin intergrowths with plumbonacrite. The empirical formula of somersetite is Pb8.00C5.00H4.00O20. The simplified formula is Pb8O(OH)4(CO3)5, which requires: PbO = 87.46, CO2 = 10.78, H2O = 1.76, total 100.00 wt.%.The infrared spectrum of somersetite is similar to that of plumbonacrite and, to a lesser degree, hydrocerussite. Somersetite is hexagonal, P63/mmc, a = 5.2427(7), c = 40.624(6) Å, V = 967.0(3) Å3 and Z = 2. The eight strongest reflections of the powder X-ray diffraction (XRD) pattern [d,Å(I)(hkl)] are: 4.308(33)(103), 4.148(25)(104), 3.581(40)(107), 3.390(100)(108), 3.206(55)(109), 2.625(78)(110), 2.544(98)(0.0.16) and 2.119(27)(1.0.17). The crystal structure was solved from single-crystal XRD data giving R1 = 0.031. The structure of somersetite is unique and consists of the alternation of the electroneutral plumbonacrite-type [Pb5O(OH)2(CO3)3]0 and hydrocerussite-type [Pb3(OH)2(CO3)2]0 blocks separated by stereochemically active lone electron pairs on Pb2+. There are two blocks of each type per unit cell in the structure, which corresponds to the formula [Pb5O(OH)2(CO3)3][Pb3(OH)2(CO3)2] or Pb8O(OH)4(CO3)5 in a simplified representation. The 2D blocks are held together by weak Pb–O bonds and weak interactions between lone pairs.

Synthesis and characterization of powder four borate Sr3Sm2(BO3)4

2013 ◽  
Vol 28 (4) ◽  
pp. 262-268 ◽  
Author(s):  
Jia-Yong Si ◽  
Ge-Mei Cai
Keyword(s):  
Crystal Structure ◽  
Rietveld Method ◽  
X Ray Diffraction ◽  
X Ray ◽  
Reflection Measurement ◽  
Crystallographic Study ◽  
Anionic Groups ◽  
Very High ◽  
Uv Range

Polycrystalline Sr3Sm2(BO3)4 borate has been synthesized through a solid-state reaction, and the title compound is stable in air and water. Its crystal structure was investigated from powder X-ray diffraction data using the Rietveld method. The fundamental building units of the crystal Sr3Sm2(BO3)4 are isolated BO3 anionic groups, distorted Sm–O polyhedra, and irregular Sr–O polyhedra, with the crystal structure isostructural to Sr3Nd2(BO3)4. The infrared spectrum of Sr3Sm2(BO3)4 has been measured, which is consistent with the crystallographic study. According to diffuse reflection measurement of Sr3Sm2(BO3)4 powders, the absorption edge is in the deep UV range and UV-vis transmittance is very high. Phosphor Sr3Sm2(BO3)4 exhibits an orange-red emission.

An Overview of the Microstructures Present in High-Speed Steel -Carbides Crystallography

2006 ◽  
Vol 530-531 ◽  
pp. 48-52 ◽  
Author(s):  
M.M. Serna ◽  
Edilson Rosa Barbarosa Jesus ◽  
E. Galego ◽  
Luís Gallego Martinez ◽  
H.P.S. Corrêa ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Chemical Composition ◽  
First Principles ◽  
High Speed ◽  
High Speed Steel ◽  
High Hardness ◽  
Spray Forming ◽  
Steel Matrix ◽  
X Ray Diffraction ◽  
X Ray

The aim of the work was to prepare an overview about the microstructures present in high-speed steel, focused on the crystallography of the carbides. High-speed steels are currently obtained by casting, powder metallurgy and more recently spray forming. High-speed steels have a high hardness resulting from a microstructure, which consists of a steel matrix (martensite and ferrite), in which embedded carbides of different crystal structure, chemical composition, morphology and size, exist. These carbides are commonly named MxC, where M represents one or more metallic atoms. These carbides can be identified by X-ray diffraction considering M as a unique metallic atom. In this work, it is discussed, in basis of the first principles of physics crystallography, the validation of this identification when it is considered that other atoms in the structure are substitutional. Further, it is discussed some requirements for data acquisition that allows the Rietveld refinement to be applied on carbide crystallography and phase amount determination.

scholarly journals Occupancy disorder in the magnetic topological insulator candidate Mn1−x Sb2+x Te4

2021 ◽  
Vol 0 (0) ◽  
Author(s):  
Laura C. Folkers ◽  
Laura Teresa Corredor ◽  
Fabian Lukas ◽  
Manaswini Sahoo ◽  
Anja U. B. Wolter ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Chemical Composition ◽  
Single Crystal ◽  
Topological Insulator ◽  
Magnetic Order ◽  
Physical Property ◽  
X Ray Diffraction ◽  
X Ray ◽  
To Receive ◽  
Antisite Disorder

Abstract MnSb2Te4 is a candidate magnetic topological insulator exhibiting more pronounced cation intermixing than its predecessor MnBi2Te4. Investigating the cation intermixing and its possible implications on the magnetic order in MnSb2Te4 are currently hot topics in research on quantum materials for spintronics and energy-saving applications. Two single-crystal X-ray diffraction measurements of Mn1−x Sb2+x Te4 (x = 0.06 and x = −0.1) are presented alongside a detailed discussion of its crystal structure with a spotlight on the apparent occupancy disorder between the two cations. This disorder has been noted by other groups as well, yet never been analyzed in-depth with single-crystal X-ray diffraction. The latter is the tool of choice to receive a meaningful quantification of antisite disorder. Between the two synthesis procedures we find subtle differences in phases and/or alternation of the cation content which has implications on the magnetic order, as illustrated by bulk magnetometry. Understanding and assessing this disorder in magnetic topological insulators of the MnX2Te4 (X = Bi, Sb) type is crucial to gauge their applicability for modern spintronics. Furthermore, it opens new ways to tune the “chemical composition – physical property” relationship in these compounds, creating an alluring aspect also for fundamental science.

Darstellung, Kristallstruktur und Infrarotspektrum von [MoNCl3 · POCl3]4/Preparation, Crystal Structure and Infrared Spectrum of [MoNCl3 · POCl3]4

1978 ◽  
Vol 33 (11) ◽  
pp. 1347-1351 ◽  
Author(s):  
Joachim Strähle ◽  
Ulrich Weiher ◽  
Kurt Dehnicke
Keyword(s):  
Crystal Structure ◽  
Oxygen Atom ◽  
Infrared Spectrum ◽  
Ir Spectrum ◽  
Triple Bond ◽  
Monoclinic Space Group ◽  
X Ray Diffraction ◽  
X Ray ◽  
Octahedral Environment ◽  
Distorted Octahedral

Abstract [MoNCl3 · POCl3]4 is prepared both by the reaction of MoNCl3 with POCl3 as well as by the reaction of MoCl5 with NCl3 in the presence of POCl3. [MoNCl3 · POCl3]4 crystallizes in the monoclinic space group P21/c with 2 tetrameric molecules in the unit cell. The crystal structure was solved by X-ray diffraction methods (R = 0.033, 1821 observed reflections). The structure consists of planar and almost square Mo4N4-eight-membered rings with alternating Mo-N bond lengths. The distorted octahedral environment of the molybdenum atoms is completed by three terminal Cl-ligands and by the oxygen atom of a POCl3 molecule, which is coordinated trans to the Mo ≡ N triple bond. The IR spectrum is discussed with respect to the vibrational spectra of the isoelectronic niobium complex [NbOCl3 · POCl3]4.

Crystal structure and X-ray diffraction data of a new hexagonal perovskite compound, Ba4CuNb3O12

2011 ◽  
Vol 26 (3) ◽  
pp. 244-247
Author(s):  
N. Kumada ◽  
W. Zhang ◽  
Q. Dong ◽  
T. Mochizuki ◽  
Y. Yonesaki ◽  
...  
Keyword(s):  
Crystal Structure ◽  
High Temperature ◽  
Chemical Composition ◽  
Solid State ◽  
Diffraction Data ◽  
Solid State Reaction ◽  
Inert Atmosphere ◽  
X Ray Diffraction ◽  
X Ray ◽  
Barium Copper

A new barium copper niobate, Ba4CuNb3O12, was successfully prepared by high-temperature solid-state reaction in an inert atmosphere. Rietveld-refinement analysis of the XRD data of the compound showed that it has the 8H-type hexagonal perovskite structure with space group P63/mmc (#194), a = 5.830(1) Å, c = 19.123(1) Å, and chemical composition of Ba4Cu1.84Nb2.16O12-δ.

scholarly journals Crystal structure of mono-β-alanine hydrochloride

2020 ◽  
Vol 7 (2) ◽  
pp. 61-70
Author(s):  
Dmitry S. Tsvetkov ◽  
Maxim O. Mazurin
Keyword(s):  
Crystal Structure ◽  
Fourier Transform ◽  
Hydrogen Bonds ◽  
Infrared Spectrum ◽  
Chloride Anion ◽  
Asymmetric Unit ◽  
X Ray Diffraction ◽  
Orthorhombic System ◽  
X Ray ◽  
Lattice Constants

Crystal structure of mono-β-alaninium chloride has been studied by single crystal X-ray diffraction. The compound crystallizes in the orthorhombic system. The space group is Pbca, with the following lattice constants: a = 9.7414(5) Å, b = 7.4671(6) Å, c = 16.5288(11) Å, V = 1202.31(14) Å3, Z = 8. The asymmetric unit contains one β-alaninium cation (+NH3CH2CH2COOH) and one chloride anion. The structure was shown to consist of layers stacked along the c-axis and connected with each other by weak van der Waals forces. Each layer consists of two halves linked by hydrogen bonds between carbonyl and NH3+ groups and, also, between NH3+ groups and Cl- anions. Fourier transform infrared spectrum of β-alaninium chloride was recorded and analyzed. The spectroscopic results were found to support the conclusions of the structural study.

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