scholarly journals Kishonite, VH2, and Oreillyite, Cr2N, Two New Minerals from the Corundum Xenocrysts of Mt Carmel, Northern Israel

Minerals ◽  
2020 ◽  
Vol 10 (12) ◽  
pp. 1118
Author(s):  
Luca Bindi ◽  
Fernando Cámara ◽  
Sarah E. M. Gain ◽  
William L. Griffin ◽  
Jin-Xiang Huang ◽  
...  
Keyword(s):  
Single Crystal ◽  
Volatile Species ◽  
X Ray Diffraction ◽  
Space Group ◽  
X Ray ◽  
International Mineralogical Association ◽  
Mineralogical Association ◽  
Transmission Electron ◽  
Deep Earth

Here, we describe two new minerals, kishonite (VH2) and oreillyite (Cr2N), found in xenoliths occurring in pyroclastic ejecta of small Cretaceous basaltic volcanoes exposed on Mount Carmel, Northern Israel. Kishonite was studied by single-crystal X-ray diffraction and was found to be cubic, space group Fm3¯m, with a = 4.2680(10) Å, V = 77.75(3) Å3, and Z = 4. Oreillyite was studied by both single-crystal X-ray diffraction and transmission electron microscopy and was found to be trigonal, space group P3¯1m, with a = 4.7853(5) Å, c = 4.4630(6) Å, V = 88.51 Å3, and Z = 3. The presence of such a mineralization in these xenoliths supports the idea of the presence of reduced fluids in the sublithospheric mantle influencing the transport of volatile species (e.g., C, H) from the deep Earth to the surface. The minerals and their names have been approved by the Commission of New Minerals, Nomenclature and Classification of the International Mineralogical Association (No. 2020-023 and 2020-030a).

Alluaudite-Group Phosphate and Arsenate Minerals

2021 ◽  
Author(s):  
Kimberly T. Tait ◽  
Frank C. Hawthorne ◽  
Norman M. Halden
Keyword(s):  
Single Crystal ◽  
Structural Formula ◽  
Synthesis Methods ◽  
X Ray Diffraction ◽  
Ionic Radii ◽  
X Ray ◽  
International Mineralogical Association ◽  
Graphite Monochromator ◽  
Wide Range

ABSTRACT A systematic study of alluaudite, hagendorfite, and varulite was done using single-crystal X-ray diffraction, powder diffraction, and electron probe microanalysis of samples from 12 separate localities. The crystal structures of the representative alluaudite and hagendorfite samples were refined to R1 indices of 3.7 and 1.8%, respectively, using a Siemens P4 automated four-circle diffractometer equipped with a graphite monochromator and MoKα X-radiation. These samples and several others were analyzed with an electron microprobe to study variations in chemical composition. For the single-crystal analyses, the resulting unit formulae are (Na0.11□0.89)(Na0.59Mn0.27Ca0.14)Mn1.00(Fe3+1.64Al0.24Mg0.13)(PO4)3 for alluaudite, (Na0.79□0.21)(Na0.81Mn2+0.19)(Mn0.70Fe2+0.30)(Fe2+1.72Mg0.27Al0.01)(PO4)3 for hagendorfite, and (Na0.84□0.16)(Na0.71Ca0.23□0.06)Mn1.00(Fe3+0.89Fe2+0.68Mn0.42Mg0.01)(PO4)3 for varulite. Originally, a nomenclature scheme was proposed for the alluaudite-group minerals that was based on sequentially distributing the cations in the cell according to increasing polyhedron size, matching that size with increasing ionic radii of the cations. For alluaudite, the structural formula was written as X(2)4X(1)4M(1)4M(2)8(PO4)12, with the sites ordered in decreasing size of the discrete polyhedra. Later, the formula [A(2)A(2)'A(2)”2][A(1)A(1)'A(1)”2]M(1)M(2)2(PO4)3 was proposed, which takes into account the distinct crystallographic sites in the channels of the structure. More recently there has been a revision to the nomenclature of the group. The simplified structural formula for the alluaudite-type is now A(2)'A(1)M(1)M(2)2(TO4)3; the new nomenclature scheme has been adopted by the Commission on New Minerals, Nomenclature and Classification of the International Mineralogical Association (IMA-CNMNC), based on the contents of the M(1) and M(2) octahedral sites, and the results are reviewed here. Compounds belonging to the alluaudite structural family have been the focus of synthetic mineral studies for decades owing to the open-framework architecture and their unique physical properties. Improvements in synthesis methods have allowed researchers to substitute a wide range of elements into the alluaudite structure.

Crystal structure of an inclusion complex between chiral monoaza-15-crown-5 and S(–)-1-phenyl-ethyl ammonium percholorate

2003 ◽  
Vol 218 (5) ◽  
Author(s):  
Süheyla Özbey ◽  
F. B. Kaynak ◽  
M. Toğrul ◽  
N. Demirel ◽  
H. Hoşgören
Keyword(s):  
Crystal Structure ◽  
Inclusion Complex ◽  
Single Crystal ◽  
X Ray Diffraction ◽  
Space Group ◽  
X Ray ◽  
New Type

AbstractA new type of inclusion complex, S(–)-1 phenyl ethyl ammonium percholorate complex of R-(–)-2-ethyl - N - benzyl - 4, 7, 10, 13 - tetraoxa -1- azacyclopentadecane, has been prepared and studied by NMR, IR and single crystal X-ray diffraction techniques. The compound crystallizes in space group

Single-crystal investigation of Ce5AgxGe4−x (x = 0.1−1.08) with Sm5Ge4 type

2020 ◽  
Vol 75 (8) ◽  
pp. 765-768
Author(s):  
Bohdana Belan ◽  
Dorota Kowalska ◽  
Mariya Dzevenko ◽  
Mykola Manyako ◽  
Roman Gladyshevskii
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Diffraction Data ◽  
Binary Compound ◽  
Lattice Parameters ◽  
X Ray Diffraction ◽  
Space Group ◽  
X Ray

AbstractThe crystal structure of the phase Ce5AgxGe4−x (x = 0.1−1.08) has been determined using single-crystal X-ray diffraction data for Ce5Ag0.1Ge3.9. This phase is isotypic with Sm5Ge4: space group Pnma (No. 62), Pearson code oP36, Z = 4, a = 7.9632(2), b = 15.2693(5), c = 8.0803(2) Å; R1 = 0.0261, wR2 = 0.0460, 1428 F2 values and 48 variables. The two crystallographic positions 8d and 4c show Ge/Ag mixing, leading to a slight increase in the lattice parameters as compared to those of the pure binary compound Ce5Ge4.

The wulfenite—stolzite series: centric or acentric structures?

2008 ◽  
Vol 72 (4) ◽  
pp. 987-990 ◽  
Author(s):  
L. Secco ◽  
F. Nestola ◽  
A. Dal Negro
Keyword(s):  
Single Crystal ◽  
X Ray Diffraction ◽  
Space Group ◽  
X Ray ◽  
End Members ◽  
Symmetry Change

AbstractThree natural crystals of the wulfenite (PbMoO4)—stolzite (PbWO4) series were investigated by single-crystal X-ray diffraction. The results indicate that the symmetry is I41/a from nearly pure wulfenite to intermediate compositions, in contrast to previous work which claimed a symmetry change to 74 symmetry (acentric) for intermediate compositions compared with I41/a (centric space group) for the end-members. The results reported here show that the reflections violating I41/a symmetry observed in this work and in a previous study are related primarily to λ/2 effects, even if Renninger effects are not excluded. Consequently, we find that the I41/a symmetry is retained throughout the wulfenite— stolzite.

scholarly journals β-Y(BO2)3 – a new member of the β-Ln(BO2)3 (Ln=Nd, Sm, Gd–Lu) structure family

2017 ◽  
Vol 72 (12) ◽  
pp. 983-988 ◽  
Author(s):  
Martin K. Schmitt ◽  
Hubert Huppertz
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Lattice Parameters ◽  
X Ray Diffraction ◽  
Orthorhombic Space Group ◽  
Space Group ◽  
X Ray

Abstractβ-Y(BO2)3 was synthesized in a Walker-type multianvil module at 5.9 GPa/1000°C. The crystal structure has been elucidated through single-crystal X-ray diffraction. β-Y(BO2)3 crystallizes in the orthorhombic space group Pnma (no. 62) with the lattice parameters a=15.886(2), b=7.3860(6), and c=12.2119(9) Å. Its crystal structure will be discussed in the context of the isotypic lanthanide borates β-Ln(BO2)3 (Ln=Nd, Sm, Gd–Lu).

scholarly journals CRYSTAL STRUCTURE OF THE NEW SILICIDE Lu3Ni11.74(2)Si4

2020 ◽  
Vol 86 (5) ◽  
pp. 3-12
Author(s):  
Bohdana Belan ◽  
Mykola Manyako ◽  
Mariya Dzevenko ◽  
Dorota Kowalska ◽  
Roman Gladyshevskii
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Type Structure ◽  
X Ray Diffraction ◽  
Space Group ◽  
X Ray ◽  
Arc Melting ◽  
Pearson Symbol ◽  
Ternary Silicide

The new ternary silicide Lu3Ni11.74(2)Si4 was synthesized from the elements by arc-melting and its crystal structure was determined by the single-crystal X-ray diffraction. The compound crystallizes in the Sc3Ni11Ge4-type: Pearson symbol hP37.2, space group P63/mmc (No. 194), a = 8.0985(16), c = 8.550(2) Å, Z = 2; R = 0.0244, wR = 0.0430 for 244 reflections. The silicide Lu3Ni11.74(2)Si4 is new member of the EuMg5.2-type structure family.

Crystal Structure and Vibrational Behaviour of Aqua Di(saccharinato)di(nicotinamide)copper(II)

2002 ◽  
Vol 57 (1) ◽  
pp. 43-46 ◽  
Author(s):  
Beatriz S. Parajón-Costaa ◽  
Enrique J. Baran ◽  
Oscar E. Piro ◽  
Eduardo E Castellano
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Ir Spectrum ◽  
Monoclinic Space Group ◽  
X Ray Diffraction ◽  
Space Group ◽  
X Ray

The crystal structure of [Cu(sac)2(nic)2(H2O)] (sac = saccharinate anion; nic = nicotinamide) has been determined by single-crystal X-ray diffraction. It crystallizes in the monoclinic space group C2/c with Z = 4 and the Cu(II) ion presents a CuN4O square pyramidal coordination. Some comparisons with related structures are made and the most important features of its IR spectrum were also discussed.

The structures and phase transitions in 4-aminopyridinium tetraaquabis(sulfato)iron(III), (C5H7N2)[FeIII(H2O)4(SO4)2]

2019 ◽  
Vol 75 (6) ◽  
pp. 1144-1151
Author(s):  
Tamara J. Bednarchuk ◽  
Wolfgang Hornfeck ◽  
Vasyl Kinzhybalo ◽  
Zhengyang Zhou ◽  
Michal Dušek ◽  
...  
Keyword(s):  
Phase Transitions ◽  
Single Crystal ◽  
Room Temperature ◽  
Variable Temperature ◽  
Temperature Phase ◽  
X Ray Diffraction ◽  
Scanning Calorimetry ◽  
Hybrid Compound ◽  
Space Group ◽  
X Ray

The organic–inorganic hybrid compound 4-aminopyridinium tetraaquabis(sulfato)iron(III), (C5H7N2)[FeIII(H2O)4(SO4)2] (4apFeS), was obtained by slow evaporation of the solvent at room temperature and characterized by single-crystal X-ray diffraction in the temperature range from 290 to 80 K. Differential scanning calorimetry revealed that the title compound undergoes a sequence of three reversible phase transitions, which has been verified by variable-temperature X-ray diffraction analysis during cooling–heating cycles over the temperature ranges 290–100–290 K. In the room-temperature phase (I), space group C2/c, oxygen atoms from the closest Fe-atom environment (octahedral) were disordered over two equivalent positions around a twofold axis. Two intermediate phases (II), (III) were solved and refined as incommensurately modulated structures, employing the superspace formalism applied to single-crystal X-ray diffraction data. Both structures can be described in the (3+1)-dimensional monoclinic X2/c(α,0,γ)0s superspace group (where X is ½, ½, 0, ½) with modulation wavevectors q = (0.2943, 0, 0.5640) and q = (0.3366, 0, 0.5544) for phases (II) and (III), respectively. The completely ordered low-temperature phase (IV) was refined with the twinning model in the triclinic P{\overline 1} space group, revealing the existence of two domains. The dynamics of the disordered anionic substructure in the 4apFeS crystal seems to play an essential role in the phase transition mechanisms. The discrete organic moieties were found to be fully ordered even at room temperature.

Crystal chemistry and nomenclature of rhodonite-group minerals

2019 ◽  
Vol 83 (6) ◽  
pp. 829-835 ◽  
Author(s):  
Nadezhda V. Shchipalkina ◽  
Igor V. Pekov ◽  
Nikita V. Chukanov ◽  
Cristian Biagioni ◽  
Marco Pasero
Keyword(s):  
Crystal Chemistry ◽  
Structural Formula ◽  
Structure Type ◽  
Mineral Species ◽  
Triclinic Space Group ◽  
Space Group ◽  
International Mineralogical Association ◽  
Mineralogical Association ◽  
General Chemical

AbstractThis paper presents the nomenclature of the rhodonite group accepted by the Commission on New Minerals, Nomenclature and Classification of the International Mineralogical Association (IMA). An overview of the previous studies of triclinic (space group P$\bar{1}$) pyroxenoids belonging to the rhodonite structure type, with a focus on their crystal chemistry, is given. These minerals have the general structural formula VIIM(5)VIM(1)VIM(2)VIM(3)VIM(4)[Si5O15]. The following dominant cations at the M sites are known at present: M(5) = Ca or Mn2+, M(1–3) = Mn2+; and M(4) = Mn2+ or Fe2+. In accordance with the nomenclature, the rhodonite group consists of three IMA-approved mineral species having the following the general chemical formulae: M(5)AM(1–3)B3M(4)C[Si5O15], where A = Ca or Mn2+; B = Mn2+; and C = Mn2+ or Fe2+. The end-member formulae of approved rhodonite-group minerals are as follows: rhodonite CaMn3Mn[Si5O15]; ferrorhodonite CaMn3Fe[Si5O15]; and vittinkiite MnMn3Mn[Si5O15].

scholarly journals Crystal structure of Ag-exchanged levyne intergrown with erionite: Single-crystal X-ray diffraction and Molecular Dynamics simulations

2020 ◽  
Vol 105 (11) ◽  
pp. 1631-1638 ◽  
Author(s):  
Georgia Cametti ◽  
Sergey V. Churakov
Keyword(s):  
Molecular Dynamics ◽  
Single Crystal ◽  
Molecular Dynamics Simulations ◽  
Exchange Process ◽  
Structural Refinement ◽  
X Ray Diffraction ◽  
Threefold Axis ◽  
Space Group ◽  
X Ray ◽  
Dynamics Simulations

Abstract The modification of natural zeolites via ion exchange is an efficient technique used to improve their performances and tune their properties for specific applications. In this study, a natural levyne-Ca intergrown with erionite was fully exchanged by Ag+ and its structure [with idealized chemical composition Ag6(Si,Al)18O36·18H2O] was investigated by combining a theoretical and experimental approach. Single-crystal X-ray diffraction data demonstrated that Ag-levyne maintained the R3m space group, characteristic of the natural levyne. Ag ions distribute over partially occupied sites along the threefold axis and, differently from the pristine material, at the wall of the 8-membered ring window of the lev cavity. The lack of ~30% of Ag ions that could not be located by the structural refinement is ascribed to the strong disorder of the extraframework occupants. The structural results obtained by Molecular Dynamics simulations are in overall agreement with the experimental data and showed that, on average, Ag+ is surrounded by ~2 H2O and 1 framework oxygen at distances between 2.43 and 2.6 Å. Molecular Dynamics trajectories indicate that the occurrence of silver inside the D6R cage depends on the water content: silver occupancy of D6R cages is estimated to be 83, 30, and 0% when the structure contains 3, 2.5, and 2 H2O per Ag ion, respectively. The cation-exchange process, as demonstrated by scanning electron microscopy and energy-dispersive spectroscopy (SEM-EDS) spectrometry, affects the intergrown erionite as well. A structural characterization of the Ag-erionite phase (with dimension <100 μm) was possible by means of a CuKα micro-focus source: structure solution pointed to P63/mmc space group, indicating no change with respect to natural erionite. In agreement with previous studies, K ions in the cancrinite cage could not be exchanged, whereas Ag+ is found in the eri cavity.

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