An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the joint CCDC and FIZ Karlsruhe Access Structures service and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
Abstract The structures of the equiatomic stannides RERhSn with the smaller rare earth elements Y, Gd-Tm and Lu were reinvestigated on the basis of temperature-dependent single crystal X-ray diffraction data. GdRhSn crystallizes with the aristotype ZrNiAl at 293 and 90 K. For RE = Y, Tb, Ho and Er the HP-CeRuSn type (approximant with space group R3m) is already formed at room temperature, while DyRhSn adopts the HP-CeRuSn type below 280 K. TmRhSn and LuRhSn show incommensurate modulated variants with superspace groups P31m(1/3; 1/3; γ) 000 (No. 157.1.23.1) (γ = 3/8 for TmRhSn and γ = 2/5 for LuRhSn). The driving force for superstructure formation (modulation) is a strengthening of Rh–Sn bonding. The modulation is expressed in a 119Sn Mössbauer spectrum of DyRhSn at 78 K through line broadening.
Abstract The equiatomic indide ScPtIn (ZrNiAl type, space group P6‾$‾{6}$2m) shows an extended solid solution Sc3Pt3–xIn3. Several samples of the Sc3Pt3–xIn3 series were synthesized from the elements by arc-melting and subsequent annealing, or directly in a high frequency furnace. The lowest platinum content was observed for Sc3Pt2.072(3)In3. All samples were characterized by powder X-ray diffraction and their lattice parameters and several single crystals were studied on the basis of precise single crystal X-ray diffractometer data. The correct platinum occupancy parameters were refined from the diffraction data. Decreasing platinum content leads to decreasing a and c lattice parameters. Satellite reflections were observed for the Sc3Pt3–xIn3 crystals with x = 0.31–0.83. These satellite reflections could be described with a modulation vector (13,13,γ)$\left(\frac{1}{3},\frac{1}{3},\gamma \right)$ (γ=12$\gamma =\frac{1}{2}$c* for all crystals) and are compatible with trigonal symmetry. The interplay of platinum filled vs. empty In6 trigonal prisms is discussed for an approximant structure with space group P3m1.
Polycrystalline Sc5Cu2In4 was synthesized by induction melting of the elements and small single crystals were obtained by a slow cooling sequence. Sc5Cu2In4 is the first coinage metal representative in the family of the so-called 5-2-4 intermetallics. The Zr5Ir2In4 type structure of Sc5Cu2In4 was refined from single crystal X-ray diffractometer data: Pnma, a = 1716.75(6), b = 677.94(12), c = 760.69(2) pm, wR2 = 0.0531, 1932 F-2 values and 58 variables. Sc5Cu2In4 adopts a superstructure of the Lu5Ni2In4 type (doubling of the b axis and klassengleiche symmetry reduction from Pbam to Pnma), caused by dislocation of the copper atoms (puckering effect). Geometrically, Sc5Cu2In4 is a 4:1 inter-growth structure of distorted AlB2 and CsCl related slabs.
Abstract Polycrystalline samples of LaRh2Ga2 with the centrosymmetric CaBe2Ge2 type structure were obtained by arc-melting. Small single crystals were grown through a special annealing sequence in an induction furnace. The structures of two different crystals were refined from diffractometer data, confirming the centrosymmetric structure. The 2c Rh sites were refined with anharmonic atomic displacement parameters.
Abstract La6MnSb15 is synthesized from the constituent elements in quartz ampoules at 973 K. Crucial for the quality of the obtained single-crystals was a slow cooling rate of 2 K h−1. The crystal structure of La6MnSb15 was investigated via single-crystal X-ray diffraction experiments, leading to the observation of superstructure reflections as described in the literature. Two crystals, with refined compositions of La6MnSb15 (1) and La6MnSb14.66(1) (2) were obtained from different batches, yet both showed an orthorhombic body centered unit cell as well as additional reflections at q 1 = (0,0,0.258(1)) for crystal (1) and q 1 = (0,0,0.244(1)) for crystal (2). The structure could be solved and refined in superspace group Immm(00γ)000 (71.1.12.1), leading to a concise structural model. Due to γ not being exactly 1/4, an incommensurate modulation is present in the presented compounds. In order to describe the structural influence of the modulation in 3D, different approximants were chosen and the differences compared. Additionally, the temperature dependence of the electrical resistivity was investigated, indicating a metallic behavior of the title compound. This result is in line with the retro-theoretical investigation in the literature that counts excess electrons when using the Zintl–Klemm–Busmann concept. 121Sb Mößbauer-spectroscopic investigations at 78 K show a broad signal with an average isomeric shift of δ ∼ −10 mm s−1, in line with a negatively charged Sb species. The massive line broadening can be explained by the large number of crystallographic antimony sites in the basic structure and the approximant.
Single crystals of SrIr 9 In 18 were obtained by induction melting of the elements in a glassy carbon crucible followed by annealing at 1070 K. SrIr 9 In 18 was structurally characterized by X‐ray powder and single crystal diffraction: P 4 m 2, a = 811.21(5), c = 854.49(5) pm, wR 2 = 0.0511, 1223 F 2 values, and 46 variables. The structure is of a new type. The basic building units are Ir@In 8 (distorted square‐prismatic, square anti ‐prismatic and bicapped trigonal prismatic coordination) and Ir@In 9 (distorted trigonal prismatic coordination) polyhedra, which condense to a three‐dimensional network, which leaves large cavities for the strontium cations, which are coordinated to four iridium and twelve indium atoms. The [Ir 9 In 18 ] 2– polyanionic network is stabilized through Ir–In (267–290 pm) and In–In (302–354 pm) bonding.
We report novel efficient Mn4+ phosphors of composition K3HF2MO2F4:Mn4+ (M = Mo, W) containing [HF2]- and octahedral [MO2F4]2- building units. The phosphor exhibits strong absorption at 450 nm and an external quantum yield of 90%. K3HF2WO2F4:0.01Mn4+ provides a sufficiently high quenching temperature T1/2 of about 400 K and is applicable as a converter for (In,Ga)N LEDs. The EPR spectrum is consistent with the presence of a MnF62- species at giso = 1.983. 19F MAS NMR results confirm the 2 : 1 ratio of the metal-bound fluoride species to the hydrogen difluoride group as predicted from the chemical formula. There are two distinct M-bonded species in a 1 : 1 ratio, indicating that the W and Mo octahedra are exclusively of the MO2F42- type, with the two oxygen atoms in cis-position. Their extremely sharp 19F resonances indicate a fast, near-isotropic reorientational process at room temperature that is on the millisecond timescale. For the HF2- group, the 19F and 1H MAS NMR spinning sideband profiles reveal the geometry of a linear centrosymmetric three-spin system with an H-F bond distance of 1.14 Å.
The new intermetallic phase SrPt3In2 was synthesized by induction-melting of the elements in a sealed tantalum ampoule followed by long-term annealing for crystal growth. The SrPt3In2 structure was refined from single crystal X-ray diffraction data: Imma, a = 1674.7(6), b = 921.2(4), c = 971.2(4) pm, wR2 = 0.0551, 1192 F2 values and 55 variables. Electronic structure calculations indicate strong covalent Pt-In bonding and a substantial charge transfer from the strontium atoms to the three-dimensional [Pt3In2]δ- polyanionic network. The strontium atoms fill larger cavities within the network and the bonding of strontium to the polyanion is of the electrostatic type. The Bader charge calculations classify SrPt3In2 as a ternary platinide. The close relationship between the SrPt3In2 structure and the aristotype CaCu5 is discussed on the basis of a group-subgroup scheme in the Bärnighausen formalism along with other CaCu5 coloring variants and superstructures.
Introduction: Skin ageing involves senescent fibroblast accumulation, disturbance in extracellular matrix (ECM) homeostasis, and decreased collagen synthesis. Objective: to assess a cell therapy product for aged skin (RCS-01; verum) consisting of similar to 25 x 10(6) cultured, autologous cells derived from anagen hair follicle non-bulbar dermal sheath (NBDS). Methods: For each subject in the verum group, 4 areas of buttock skin were injected intradermally 1 or 3 times at monthly intervals with RCS-01, cryomedium, or needle penetration without injection; in the placebo group RCS-01 was replaced by cryomedium. The primary endpoint was assessment of local adverse event profiles. As secondary endpoints, expression of genes related to ECM homeostasis was assessed in biopsies from randomly selected volunteers in the RCS-01 group taken 4 weeks after the last injection. -Results: Injections were well tolerated with no severe adverse events reported 1 year after the first injection. When compared with placebo-treated skin, a single treatment with RCS-01 resulted in a significant upregulation of TGF beta 1, CTGF, COL1A1, COL1A2, COL3A1, and lumican mRNA expression. Limitations: The cohort size was insufficient for dose -ranging evaluation and subgroup analyses of efficacy. Conclusions: RCS-01 therapy is well tolerated and associated with a gene expression response consistent with an improvement of ECM homeostasis.
The germanides YPtGe2 and GdPtGe2 were synthesized from REGe2 precursor compounds and platinum by arc-melting and their structures were studied on the basis of temperature-dependent single crystal X-ray diffraction data. At room temperature both germanides adopt the orthorhombic YIrGe2 type structure, space group Immm, with enhanced U11 displacement parameters for the Ge1 atoms. Below 174 and 145 K, respectively, satellite reflections emerge in the diffraction patterns, giving rise to modulations. The low-temperature structures were refined in the superspace group Pnnn(1/2,1/2,γ)qq0 (48.1.11.3). The structural phase transition is also evident in the magnetic susceptibility, specific heat and resistivity data. The high- and low-temperature modifications are discussed on the basis of a group-subgroup scheme.
AbstractNa3GaF6and Na3GaF6:Mn4+samples were obtained from NaNO3and Ga(NO3)3·9H2O in hydrofluoric acid using K2MnF6or NaMnO4as manganese sources. The structure of Na3GaF6was studied by single crystal X-ray diffraction at 90, 293, 440 and 500 K, confirming the monoclinic cryolite type structure, space groupP21/c. The gallium atoms show slightly distorted octahedral coordination by fluorine atoms, similar to the Na1 atoms. Coordination number 8 is observed for Na2. Both sodium sites are clearly distinguished by23Na MAS-NMR spectroscopy. Above 400 K the spectra reveal distinct chemical exchange effects, signifying sodium ion hopping between these two sites. At the same time static19F NMR spectra indicate pronounced motional narrowing effects in this temperature region. The nearly invariant69Ga MAS-NMR spectra suggest that any reorientational motion involving the GaF63−ions (if present) occurs with preservation of the center of mass of these octahedra.
The lutetium‐rich indide Lu13Ni6In was synthesized from the elements by arc‐melting and subsequent annealing in a sealed niobum container. At room temperature, the Lu13Ni6In structure is centrosymmetric, space group R3m, a = 919.74(10), c = 1828.9(2) pm, wR2 = 0.0996, 666 F2 values, 43 variables. It exhibits strong anisotropic displacement parameters U33 for the Lu1 and U22 for the Ni atoms. In going to low‐temperature, Lu13Ni6In shows a phase transition (loss of the inversion symmetry) along with an ordering of Lu1. The structure was refined from 90 K single‐crystal X‐ray diffractometer data for an inversion twin: R3m, a = 918.97(4), c = 1820.27(7) pm, wR2 = 0.0890, 1288 F2 values, 56 variables. The low‐temperature Lu13Ni6In structure can be described as a condensation of In@Lu12 icosahedra, Ni2@Lu6 trigonal prisms, and Ni@Lu4 tetrahedra to layers that are stacked in ABC sequence. The driving force for superstructure formation is a strengthening of Lu–Ni bonding. Temperature dependent magnetic susceptibility measurements show Pauli paramagnetic behavior.
Abstract Two different samples of Ce3Rh4Ge4 were synthesized from different starting compositions by melting of the elements in an arc-melting furnace followed by annealing sequences in a sealed tantalum ampoule in a muffle furnace. The structures of two different stacking variants were refined on the basis of temperature dependent single-crystal X-ray diffractometer data. At high temperature Ce3Rh4Ge4 adopts the U3Ni4Si4 type structure with strongly enhanced anisotropic displacement parameters for the Rh1 atoms. For the two different crystals, additional reflections start to appear at different temperatures. The first crystal showed additional reflections already at room temperature (stacking variant I) and the second one showed additional reflections emerging below 270 K (stacking variant II). Stacking variant I could be described with the (3+1)D superspace group I2/m(α0γ)00; α=1/2a*, γ=1/2c*; (Z=2), 1252 F 2 values, 48 variables, wR=0.0306 for the main and wR=0.0527 for 440 1st order satellite reflections, similar to Pr3Rh4Ge4. For stacking variant II the (3+1)D superspace group is Immm(α00)00s; α=1/2a*; (Z=2). The structure could be refined with 1261 F 2 values, 53 variables and residuals of wR=0.0331 for the main reflections and wR=0.1755 (R1obs=0.0788) for the 1st order satellite reflections, [a=406.2(1), b=423.7(1) and c=2497.1(1) pm]. The commensurate description could be transformed to a three-dimensional (3D) supercell with space group Pnma and Z=4: a=812.5(1), b=423.7(1), c=2497.1(2) pm, 1261 F 2 values, 69 variables and wR=0.0525. The relation of the U3Ni4Si4 type structure, the (3+1)D modulated and the 3D supercells are discussed on the basis of group-subgroup schemes. Ab initio electronic structure calculations are in line with the diffraction experiments, revealing the lowest total energy for the Pnma phase.
The equiatomic gallides RE AuGa ( RE = La, Ce, Pr, Nd, Sm) were synthesized from the elements by arc‐melting. Small single crystals were grown by slowly cooling the samples from 1073 K to room temperature at a rate of 3 K · h –1 . The RE AuGa structures were reinvestigated from single‐crystal X‐ray diffractometer data. The five gallides adopt the non‐centrosymmetric EuAuGe type structure, space group Imm 2, a superstructure variant of KHg 2 . The symmetry reductions lead to the formation of trillings and inversion twins. The domain ratios were precisely determined from the single crystal data. The striking structural motifs of the RE AuGa structures are slightly puckered Au 3 Ga 3 layers with strong covalent Au–Ga bonding. Stacking of these layers in AA′ sequence (A and A′ are related by mirror planes) leads to weak Au–Au (aurophilic bonding) and Ga–Ga interlayer interactions (319 and 283 pm in SmAuGa). Temperature dependent magnetic susceptibility measurements revealed Curie–Weiss behavior for CeAuGa and NdAuGa, whereas SmAuGa exhibits the typical van Vleck paramagnetism caused by contributions of the excited states. Antiferromagnetic ground states were observed for CeAuGa, NdAuGa, and SmAuGa below the respective Néel temperatures of 2.8, 9.5 and 24.1 K. LaAuGa is Pauli paramagnetic.
BACKGROUND:Androgenetic alopecia (AGA) is the most common cause of hair loss in men. Topical minoxidil solutions can help to treat AGA but have to be applied continuously to be effective. OBJECTIVES:A new minoxidil formulation with improved cosmetic characteristics (DC0120, Pierre-Fabre Dermatologie) was tested for noninferiority vs a comparator minoxidil product (ALOSTIL® , Johnson & Johnson) in stimulating hair growth in men with AGA. METHODS:Two 10 cm2 areas on the scalp of each subject were randomized to receive DC0120, the comparator, or one of their corresponding vehicles, applied twice per day for 16 weeks. Nonvellus target area hair count (TAHC) was measured within treatment areas at baseline (day 1) and after 8 and 16 weeks by digital phototrichogram. RESULTS:Two hundred and twenty subjects were included and randomized, of which 210 completed the study. The mean change in nonvellus TAHC between baseline and week 16 was +22.0 hairs/cm2 (95% CI: 18.1; 25.9) in the DC0120 group and +20.5 hairs/cm2 (95% CI: 16.6; 24.4) in the comparator group. The adjusted mean difference in TAHC changes between the two treatments was +1.5 hairs/cm2 (95% CI -2.3; 5.2), with the lower 95% confidence interval above the noninferiority threshold of -7 hairs/cm2 . This indicated that DC0120 was noninferior to the comparator. Both minoxidil treatments also increased nonvellus TAHC compared to vehicle groups at 8 and 16 weeks. No new safety signals were observed. CONCLUSIONS:DC0120 was as safe and effective as a similar marketed minoxidil product for stimulating hair growth in men with AGA.
An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the joint CCDC and FIZ Karlsruhe Access Structures service and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
Abstract The germanides RE 3Pt4Ge6 (RE=Y, Pr, Nd, Sm, Gd–Dy) have been synthesized by arc-melting of the elements followed by inductive annealing to improve the crystallinity and allow for structural order. The compounds have been studied by powder X-ray diffraction; additionally the structure of Y3Pt4Ge6 has been refined from single-crystal X-ray diffractometer data. It exhibits a (3+1)D modulated structure, indicating isotypism with Ce3Pt4Ge6. The crystal structure can be described as an intergrowth between YIrGe2- and CaBe2Ge2-type slabs along [100]. Temperature-dependent magnetic susceptibility measurements showed Pauli paramagnetism for Y3Pt4Ge6 and Curie-Weiss paramagnetism for Pr3Pt4Ge6 and Nd3Pt4Ge6. Sm3Pt4Ge6 exhibits van Vleck paramagnetism, while antiferromagnetic ordering at T N=8.1(1) K and T N=11.0(1) K is observed for Gd3Pt4Ge6 and Tb3Pt4Ge6, respectively.
The equiatomic intermetallic phases CaAgIn [a = 482.75(7), b = 750.0(1), c = 835.5(1) pm], SrAgIn [a = 495.86(5), b = 794.71(9), c = 851.89(9) pm], LaAgIn [a = 489.99(5), b = 767.93(9), c = 837.53(9) pm], and EuAgIn [a = 493.02(7), b = 781.6(1), c = 844.2(1) pm] were synthesized from the elements in sealed niobum containers. They crystallize with the EuAuGe type structure, space group Imm2. The four structures were refined from single-crystal Xray data. The silver and indium atoms build up orthorhombically distorted, puckered Ag3In3 hexagons, which are stacked in AA' sequence, leading to direct Ag-Ag and In-In interlayer bonding (e.g. 303 and 304 pm in CaAgIn). Temperature dependent magnetic susceptibility measurements show a magnetic moment of 7.40(1) mu(B) per europium atom. EuAgIn orders antiferromagnetically at 5.7(5) K. The divalent nature of europium is also evident from Eu-151 Mosbauer spectra: delta = -10.50(1) mm.s(-1) at 78 K.