Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Ir”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 667 records · Page 37
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Design of a Cryogenic Assembly for Comparing Qubit Infrared Packaging Inefficiencies

It is well known that everything emits infrared (IR) light in the form of thermal radiation. IR radiation on superconducting qubits carries enough energy to cause decoherence and so-called “quasiparticle poisoning.” Therefore, proper IR shielding is needed to keep the qubit in a high-coherence state. However, trying to extract IR-specific information from a qubit is difficult, so a microwave kinetic inductance detector (MKID) can be used instead. We show that the IR shielding inefficiencies of MKID packages can only be compared with other packaging inefficiencies. We create a cryogenic assembly CAD design, consisting of magnetic shield cans, a copper mounting plate and mounts, and an MKID enclosure, which thermalizes the assembly to dilution refrigerator temperatures. Phase 1 of this design involves using a narrowband IR laser source to test the IR shielding of packaging at the laser’s wavelength. When the best IR shielding packaging is determined, the superconducting qubit can replace the MKID, allowing the qubit to avoid decoherence due to IR radiation and boost its performance and coherence lifetime.

Mailliard, Robert J. [Fermilab] (ORCID:00090000277↗
DOE OSTI2026

Design of a Cryogenic Assembly for Comparing Qubit Infrared Packaging Inefficiencies

It is well known that everything emits infrared (IR) light in the form of thermal radiation. IR radiation on superconducting qubits carries enough energy to cause decoherence and so-called “quasiparticle poisoning.” Therefore, proper IR shielding is needed to keep the qubit in a high coherence state. However, trying to extract IR-specific information from a qubit is difficult, so a microwave kinetic inductance detector (MKID) can be used instead. We show that the IR shielding inefficiencies of MKID packages can only be compared with other packaging inefficiencies. We create a cryogenic assembly CAD design, consisting of magnetic shield cans, a copper mounting plate and mounts, and an MKID enclosure, which thermalizes the assembly to dilution refrigerator temperatures. Phase 1 of this design involves using a narrowband IR laser source to test the IR shielding of packaging at the laser’s wavelength. When the best IR shielding packaging is determined, the superconducting qubit can replace the MKID, allowing the qubit to avoid decoherence due to IR radiation and boost its performance and coherence lifetime.

Mailliard, Robert J. [Fermilab] (ORCID:00090000277↗
DOE OSTI2021

Which Role Plays 2-Hydroxybutyric Acid on Insulin Resistance?

Type 2 Diabetes Mellitus (T2D) is defined as a chronic condition caused by beta cell loss and/or dysfunction and insulin resistance (IR). The discovering of novel biomarkers capable of identifying T2D and other metabolic disorders associated with IR in a timely and accurate way is critical. In this review, 2-hydroxybutyric acid (2HB) is presented as that upheaval biomarker with an unexplored potential ahead. Due to the activation of other metabolic pathways during IR, 2HB is synthesized as a coproduct of protein metabolism, being the progression of IR intrinsically related to the increasing of 2HB levels. Hence, the focus of this review will be on the 2HB metabolite and its involvement in glucose homeostasis. A literature review was conducted, which comprised an examination of publications from different databases that had been published over the previous ten years. A total of 19 articles fulfilled the intended set of criteria. The use of 2HB as an early indicator of IR was separated into subjects based on the number of analytes examined simultaneously. In terms of the association between 2HB and IR, it has been established that increasing 2HB levels can predict the development of IR. Thus, 2HB has demonstrated considerable promise as a clinical monitoring molecule, not only as an IR biomarker, but also for disease follow-up throughout IR treatment.

Sousa, André P. (ORCID:0000000314605361)↗
DOE OSTI2021

Ground-based temperature and humidity profiling: combining active and passive remote sensors

Abstract. Thermodynamic profiles in the planetary boundary layer (PBL) are important observations for a range of atmospheric research and operational needs. These profiles can be retrieved from passively sensed spectral infrared (IR) or microwave (MW) radiance observations or can be more directly measured by active remote sensors such as water vapor differential absorption lidars (DIALs). This paper explores the synergy of combining ground-based IR, MW, and DIAL observations using an optimal-estimation retrieval framework, quantifying the reduction in the uncertainty in the retrieved profiles and the increase in information content as additional observations are added to IR-only and MW-only retrievals. This study uses ground-based observations collected during the Perdigão field campaign in central Portugal in 2017 and during the DIAL demonstration campaign at the Atmospheric Radiation Measurement Southern Great Plains site in 2017. The results show that the information content in both temperature and water vapor is higher for the IR instrument relative to the MW instrument (thereby resulting in smaller uncertainties) and that the combined IR + MW retrieval is very similar to the IR-only retrieval below 1.5 km. However, including the partial profile of water vapor observed by the DIAL increases the information content in the combined IR + DIAL and MW + DIAL water vapor retrievals substantially, with the exact impact vertically depending on the characteristics of the DIAL instrument itself. Furthermore, there is a slight increase in the information content in the retrieved temperature profile using the IR + DIAL relative to the IR-only; this was not observed in the MW + DIAL retrieval.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2026

Design of a Cryogenic Assembly for Comparing Qubit Infrared Packaging Inefficiencies

It is well known that everything emits infrared (IR) light in the form of thermal radiation. IR radiation on superconducting qubits carries enough energy to cause decoherence and so-called “quasiparticle poisoning.” Therefore, proper IR shielding is needed to keep the qubit in a high-coherence state. However, trying to extract IR-specific information from a qubit is difficult, so a microwave kinetic inductance detector (MKID) can be used instead. We show that the IR shielding inefficiencies of MKID packages can only be compared with other packaging inefficiencies. We create a cryogenic assembly CAD design, consisting of magnetic shield cans, a copper mounting plate and mounts, and an MKID enclosure, which thermalizes the assembly to dilution refrigerator temperatures. Phase 1 of this design involves using a narrowband IR laser source to test the IR shielding of packaging at the laser’s wavelength. When the best IR shielding packaging is determined, the superconducting qubit can replace the MKID, allowing the qubit to avoid decoherence due to IR radiation and boost its performance and coherence lifetime.

Mailliard, Robert J. [Fermilab] (ORCID:00090000277↗
DOE OSTI2026

CMS Outer Tracker Module QA

It is well known that everything emits infrared (IR) light in the form of thermal radiation. IR radiation on superconducting qubits carries enough energy to cause decoherence and so-called “quasiparticle poisoning.” Therefore, proper IR shielding is needed to keep the qubit in a high-coherence state. However, trying to extract IR-specific information from a qubit is difficult, so a microwave kinetic inductance detector (MKID) can be used instead. We show that the IR shielding inefficiencies of MKID packages can only be compared with other packaging inefficiencies. We create a cryogenic assembly CAD design, consisting of magnetic shield cans, a copper mounting plate and mounts, and an MKID enclosure, which thermalizes the assembly to dilution refrigerator temperatures. Phase 1 of this design involves using a narrowband IR laser source to test the IR shielding of packaging at the laser’s wavelength. When the best IR shielding packaging is determined, the superconducting qubit can replace the MKID, allowing the qubit to avoid decoherence due to IR radiation and boost its performance and coherence lifetime.

Hobbeheydar, Samuel [Carnegie Mellon U. (main); Fe↗
DOE OSTI2026

Highly Responsive Near-Infrared Photodetector Based on Contactless PdSe 2 Integration with a Few-Layered MoSe 2 Field-Effect Transistor

Two-dimensional (2D) semiconductors with narrow bandgaps are promising candidates for near- and far-infrared (IR) photodetection, particularly in the telecommunication spectral window. However, current low-bandgap IR photodetectors face significant challenges due to their high dark current, increased carrier recombination, and thermally generated noise. Here, in this work, a hybrid phototransistor is demonstrated by integrating direct, contact-free palladium diselenide (PdSe 2 ) as a highly responsive IR detection layer with a non-IR-absorbing molybdenum diselenide (MoSe 2 ) field-effect transistor (FET), using a near-IR source at a wavelength of λ = 1650 nm. Exfoliated PdSe 2 flakes integrated into a back-gated FET architecture exhibit ambipolar transport behavior, with extracted hole and electron mobilities of 24.8 cm 2 V –1 s –1 and 58.4 cm 2 V –1 s –1 , respectively. The devices show a clear photocurrent generation under the illumination of a λ = 1650 nm laser source, achieving a notable responsivity of ∼300 mA W -1 at an applied gate voltage of 15 V, which highlights the suitability of PdSe 2 as a narrow-bandgap material for photodetection. Photoresponsivity saturates and does not have any effect above an applied gate voltage of 15 V. To further tune the photoresponsivity performance continuously with the applied gate voltage, we construct a van der Waals heterostructure phototransistor, where few layers of PdSe 2 are directly transferred onto the 2D channel region of a MoSe 2 FET, while avoiding any contact with the metal electrodes. In this heterostructure, PdSe 2 works as the primary active IR-absorbing layer, while MoSe 2 provides high-performance FET characteristics. This spatial separation of absorption and transport facilitates efficient interlayer charge transfer and charge separation, resulting in high responsivities of up to 972 mA W –1 at near-IR wavelengths and a low power density of 1.5 mW/mm 2 . The responsivity of our photodetector is comparable to that of some state-of-the-art commercially available NIR photodetectors, highlighting the potential of PdSe 2 -based heterostructures as scalable, CMOS-compatible platforms for high-performance near-IR detection.

Infrared (IR) photodetectors↗
DOE OSTI2020

Materials Data on Yb2Ge2Ir by Materials Project

Yb2IrGe2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Yb sites. In the first Yb site, Yb is bonded in a 6-coordinate geometry to two equivalent Ir and six Ge atoms. Both Yb–Ir bond lengths are 3.29 Å. There are a spread of Yb–Ge bond distances ranging from 2.95–3.29 Å. In the second Yb site, Yb is bonded in a 2-coordinate geometry to four equivalent Ir and seven Ge atoms. There are a spread of Yb–Ir bond distances ranging from 3.14–3.22 Å. There are a spread of Yb–Ge bond distances ranging from 2.99–3.47 Å. Ir is bonded in a 10-coordinate geometry to six Yb and four Ge atoms. There are a spread of Ir–Ge bond distances ranging from 2.48–2.59 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to seven Yb, one Ir, and one Ge atom. The Ge–Ge bond length is 2.61 Å. In the second Ge site, Ge is bonded in a 10-coordinate geometry to six Yb, three equivalent Ir, and one Ge atom. The Ge–Ge bond length is 2.83 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SiIr3 by Materials Project

Ir3Si crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a distorted square co-planar geometry to four equivalent Si atoms. All Ir–Si bond lengths are 2.64 Å. In the second Ir site, Ir is bonded in a distorted water-like geometry to two equivalent Si atoms. Both Ir–Si bond lengths are 2.44 Å. Si is bonded in a 8-coordinate geometry to eight Ir atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NbGeIr by Materials Project

NbIrGe crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Nb is bonded in a 11-coordinate geometry to six equivalent Ir and five equivalent Ge atoms. There are a spread of Nb–Ir bond distances ranging from 2.96–3.07 Å. There are a spread of Nb–Ge bond distances ranging from 2.72–2.83 Å. Ir is bonded in a 12-coordinate geometry to six equivalent Nb, two equivalent Ir, and four equivalent Ge atoms. Both Ir–Ir bond lengths are 2.87 Å. There are a spread of Ir–Ge bond distances ranging from 2.47–2.55 Å. Ge is bonded in a 9-coordinate geometry to five equivalent Nb and four equivalent Ir atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sr3(SnIr)4 by Materials Project

Sr3(IrSn)4 crystallizes in the cubic I-43m space group. The structure is three-dimensional. Sr is bonded in a 12-coordinate geometry to four equivalent Ir and four equivalent Sn atoms. All Sr–Ir bond lengths are 3.39 Å. All Sr–Sn bond lengths are 3.36 Å. Ir is bonded in a 4-coordinate geometry to three equivalent Sr, three equivalent Ir, and four equivalent Sn atoms. All Ir–Ir bond lengths are 2.88 Å. There are one shorter (2.58 Å) and three longer (2.72 Å) Ir–Sn bond lengths. Sn is bonded in a 7-coordinate geometry to three equivalent Sr and four equivalent Ir atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Nd2Ge2Ir by Materials Project

Nd2IrGe2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Nd sites. In the first Nd site, Nd is bonded in a 9-coordinate geometry to three equivalent Ir and six Ge atoms. There are two shorter (3.16 Å) and one longer (3.32 Å) Nd–Ir bond lengths. There are a spread of Nd–Ge bond distances ranging from 2.91–3.51 Å. In the second Nd site, Nd is bonded in a 3-coordinate geometry to one Ir and five equivalent Ge atoms. The Nd–Ir bond length is 2.96 Å. There are a spread of Nd–Ge bond distances ranging from 3.11–3.60 Å. Ir is bonded in a 8-coordinate geometry to four Nd and four Ge atoms. There are a spread of Ir–Ge bond distances ranging from 2.51–2.55 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 10-coordinate geometry to eight Nd and two equivalent Ir atoms. In the second Ge site, Ge is bonded in a 6-coordinate geometry to three equivalent Nd, two equivalent Ir, and one Ge atom. The Ge–Ge bond length is 2.59 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ho3Ge3Ir2 by Materials Project

Ho3Ir2Ge3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded in a 11-coordinate geometry to four equivalent Ir and seven Ge atoms. There are a spread of Ho–Ir bond distances ranging from 2.98–3.28 Å. There are a spread of Ho–Ge bond distances ranging from 3.02–3.24 Å. In the second Ho site, Ho is bonded in a 9-coordinate geometry to four equivalent Ir and five Ge atoms. All Ho–Ir bond lengths are 3.07 Å. There are a spread of Ho–Ge bond distances ranging from 3.02–3.11 Å. Ir is bonded in a 10-coordinate geometry to six Ho and four Ge atoms. There are a spread of Ir–Ge bond distances ranging from 2.50–2.70 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to seven Ho and two equivalent Ir atoms. In the second Ge site, Ge is bonded in a 10-coordinate geometry to six Ho, three equivalent Ir, and one Ge atom. The Ge–Ge bond length is 2.76 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Lu3Ge3Ir2 by Materials Project

Lu3Ir2Ge3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Lu sites. In the first Lu site, Lu is bonded in a 11-coordinate geometry to four equivalent Ir and seven Ge atoms. There are a spread of Lu–Ir bond distances ranging from 2.93–3.24 Å. There are a spread of Lu–Ge bond distances ranging from 2.99–3.20 Å. In the second Lu site, Lu is bonded in a 9-coordinate geometry to four equivalent Ir and five Ge atoms. All Lu–Ir bond lengths are 3.04 Å. There are a spread of Lu–Ge bond distances ranging from 3.00–3.04 Å. Ir is bonded in a 10-coordinate geometry to six Lu and four Ge atoms. There are a spread of Ir–Ge bond distances ranging from 2.48–2.68 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 10-coordinate geometry to six Lu, three equivalent Ir, and one Ge atom. The Ge–Ge bond length is 2.69 Å. In the second Ge site, Ge is bonded in a 9-coordinate geometry to seven Lu and two equivalent Ir atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ca2SiIr2 by Materials Project

Ca2Ir2Si crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Ca is bonded in a 7-coordinate geometry to six equivalent Ir and one Si atom. There are a spread of Ca–Ir bond distances ranging from 3.01–3.15 Å. The Ca–Si bond length is 3.10 Å. Ir is bonded in a 9-coordinate geometry to six equivalent Ca, one Ir, and two equivalent Si atoms. The Ir–Ir bond length is 2.65 Å. There are one shorter (2.41 Å) and one longer (2.43 Å) Ir–Si bond lengths. Si is bonded in a 4-coordinate geometry to two equivalent Ca and four equivalent Ir atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ca3Ga3Ir2 by Materials Project

Ca3Ir2Ga3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Ca sites. In the first Ca site, Ca is bonded in a 10-coordinate geometry to three equivalent Ir and seven Ga atoms. There are a spread of Ca–Ir bond distances ranging from 3.06–3.22 Å. There are a spread of Ca–Ga bond distances ranging from 3.13–3.46 Å. In the second Ca site, Ca is bonded in a 7-coordinate geometry to four equivalent Ir and five Ga atoms. There are two shorter (3.16 Å) and two longer (3.38 Å) Ca–Ir bond lengths. There are a spread of Ca–Ga bond distances ranging from 2.96–3.41 Å. Ir is bonded in a 4-coordinate geometry to five Ca and four Ga atoms. There are a spread of Ir–Ga bond distances ranging from 2.50–2.54 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to seven Ca and two equivalent Ir atoms. In the second Ga site, Ga is bonded in a 9-coordinate geometry to six Ca and three equivalent Ir atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sr2IrO4 by Materials Project

Sr2IrO4 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are sixteen inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded to six O2- atoms to form distorted SrO6 pentagonal pyramids that share a cornercorner with one OSr4O trigonal bipyramid and an edgeedge with one SrO7 pentagonal bipyramid. There are a spread of Sr–O bond distances ranging from 2.46–2.72 Å. In the second Sr2+ site, Sr2+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Sr–O bond distances ranging from 2.45–2.67 Å. In the third Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.50–3.20 Å. In the fourth Sr2+ site, Sr2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Sr–O bond distances ranging from 2.44–2.97 Å. In the fifth Sr2+ site, Sr2+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Sr–O bond distances ranging from 2.41–2.85 Å. In the sixth Sr2+ site, Sr2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Sr–O bond distances ranging from 2.38–2.87 Å. In the seventh Sr2+ site, Sr2+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Sr–O bond distances ranging from 2.41–2.82 Å. In the eighth Sr2+ site, Sr2+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Sr–O bond distances ranging from 2.43–3.09 Å. In the ninth Sr2+ site, Sr2+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Sr–O bond distances ranging from 2.41–3.07 Å. In the tenth Sr2+ site, Sr2+ is bonded to seven O2- atoms to form distorted SrO7 pentagonal bipyramids that share a cornercorner with one OSr4O trigonal bipyramid and an edgeedge with one SrO6 pentagonal pyramid. There are a spread of Sr–O bond distances ranging from 2.41–2.80 Å. In the eleventh Sr2+ site, Sr2+ is bonded in a 7-coordinate geometry to six O2- atoms. There are a spread of Sr–O bond distances ranging from 2.37–2.77 Å. In the twelfth Sr2+ site, Sr2+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Sr–O bond distances ranging from 2.43–2.92 Å. In the thirteenth Sr2+ site, Sr2+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Sr–O bond distances ranging from 2.47–2.52 Å. In the fourteenth Sr2+ site, Sr2+ is bonded in a distorted pentagonal bipyramidal geometry to seven O2- atoms. There are a spread of Sr–O bond distances ranging from 2.39–2.80 Å. In the fifteenth Sr2+ site, Sr2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Sr–O bond distances ranging from 2.32–2.88 Å. In the sixteenth Sr2+ site, Sr2+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Sr–O bond distances ranging from 2.38–2.74 Å. There are eight inequivalent Ir4+ sites. In the first Ir4+ site, Ir4+ is bonded in a square co-planar geometry to four O2- atoms. There are a spread of Ir–O bond distances ranging from 1.83–2.02 Å. In the second Ir4+ site, Ir4+ is bonded in a T-shaped geometry to three O2- atoms. There are a spread of Ir–O bond distances ranging from 1.90–2.02 Å. In the third Ir4+ site, Ir4+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.86 Å) and one longer (1.92 Å) Ir–O bond length. In the fourth Ir4+ site, Ir4+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are a spread of Ir–O bond distances ranging from 1.90–1.99 Å. In the fifth Ir4+ site, Ir4+ is bonded in a T-shaped geometry to three O2- atoms. There are a spread of Ir–O bond distances ranging from 1.89–2.08 Å. In the sixth Ir4+ site, Ir4+ is bonded in a T-shaped geometry to three O2- atoms. There are a spread of Ir–O bond distances ranging from 1.95–2.13 Å. In the seventh Ir4+ site, Ir4+ is bonded in a T-shaped geometry to three O2- atoms. There are a spread of Ir–O bond distances ranging from 1.81–2.00 Å. In the eighth Ir4+ site, Ir4+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.84 Å) and one longer (1.93 Å) Ir–O bond length. There are thirty-two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to three Sr2+ and two Ir4+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to three Sr2+ and one O2- atom. The O–O bond length is 1.49 Å. In the third O2- site, O2- is bonded in a 4-coordinate geometry to three Sr2+ and one Ir4+ atom. In the fourth O2- site, O2- is bonded in a distorted linear geometry to one Sr2+ and two Ir4+ atoms. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to two Sr2+ and one Ir4+ atom. In the sixth O2- site, O2- is bonded to four Sr2+ atoms to form distorted OSr4 trigonal pyramids that share a cornercorner with one OSr4O trigonal bipyramid and an edgeedge with one OSr3Ir tetrahedra. In the seventh O2- site, O2- is bonded in a 5-coordinate geometry to four Sr2+ and one O2- atom. The O–O bond length is 1.51 Å. In the eighth O2- site, O2- is bonded to three Sr2+ and one Ir4+ atom to form distorted OSr3Ir trigonal pyramids that share a cornercorner with one OSr4O trigonal bipyramid, an edgeedge with one OSr3Ir tetrahedra, and an edgeedge with one OSr3Ir trigonal pyramid. In the ninth O2- site, O2- is bonded in a 4-coordinate geometry to three Sr2+ and one Ir4+ atom. In the tenth O2- site, O2- is bonded to three Sr2+ and one Ir4+ atom to form distorted OSr3Ir tetrahedra that share a cornercorner with one OSr3Ir tetrahedra, corners with two equivalent OSr4O trigonal bipyramids, and an edgeedge with one OSr4 trigonal pyramid. In the eleventh O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to three Sr2+ and one Ir4+ atom. In the twelfth O2- site, O2- is bonded in a 3-coordinate geometry to two Sr2+ and two Ir4+ atoms. In the thirteenth O2- site, O2- is bonded to three Sr2+ and one Ir4+ atom to form distorted OSr3Ir tetrahedra that share a cornercorner with one OSr3Ir tetrahedra, a cornercorner with one OSr4O trigonal bipyramid, a cornercorner with one OSr3Ir trigonal pyramid, and an edgeedge with one OSr3Ir trigonal pyramid. In the fourteenth O2- site, O2- is bonded in a 4-coordinate geometry to three Sr2+ and one O2- atom. In the fifteenth O2- site, O2- is bonded in a 4-coordinate geometry to three Sr2+ and one O2- atom. The O–O bond length is 1.50 Å. In the sixteenth O2- site, O2- is bonded in a 3-coordinate geometry to three Sr2+ and one Ir4+ atom. In the seventeenth O2- site, O2- is bonded in a 4-coordinate geometry to three Sr2+ and one O2- atom. In the eighteenth O2- site, O2- is bonded to four Sr2+ and one O2- atom to form distorted OSr4O trigonal bipyramids that share a cornercorner with one SrO7 pentagonal bipyramid, a cornercorner with one SrO6 pentagonal pyramid, corners with three OSr3Ir tetrahedra, and corners with three OSr3Ir trigonal pyramids. The O–O bond length is 1.51 Å. In the nineteenth O2- site, O2- is bonded in a 4-coordinate geometry to three Sr2+ and one O2- atom. The O–O bond length is 1.50 Å. In the twentieth O2- site, O2- is bonded in a 1-coordinate geometry to one Sr2+ and one Ir4+ atom. In the twenty-first O2- site, O2- is bonded in a 5-coordinate geometry to four Sr2+ and one O2- atom. In the twenty-second O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to three Sr2+ and one Ir4+ atom. In the twenty-third O2- site, O2- is bonded in a 5-coordinate geometry to four Sr2+ and one Ir4+ atom. In the twenty-fourth O2- site, O2- is bonded in a 5-coordinate geometry to five Sr2+ atoms. In the twenty-fifth O2- site, O2- is bonded in a 4-coordinate geometry to three Sr2+ and one Ir4+ atom. In the twenty-sixth O2- site, O2- is bonded in a 5-coordinate geometry to four Sr2+ and one O2- atom. In the twenty-seventh O2- site, O2- is bonded in a 1-coordinate geometry to two Sr2+ and one Ir4+ atom. In the twenty-eighth O2- site, O2- is bonded in a 4-coordinate geometry to two Sr2+ and two Ir4+ atoms. In the twenty-ninth O2- site, O2- is bonded in a 3-coordinate geometry to two Sr2+ and one Ir4+ atom. In the thirtieth O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to three Sr2+ and one O2- atom. In the thirty-first O2- site, O2- is bonded to three Sr2+ and one Ir4+ atom to form OSr3Ir trigonal pyramids that share a cornercorner with one OSr3Ir tetrahedra, a cornercorner with one OSr4O trigonal bipyramid, and an edgeedge with one OSr3Ir trigonal pyramid. In the thirty-second O2- site, O2- is bonded in a 4-coordinate geometry to three Sr2+ and one Ir4+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CaLa(GeIr)4 by Materials Project

CaLa(IrGe)4 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Ca is bonded in a 8-coordinate geometry to eight equivalent Ir and eight equivalent Ge atoms. All Ca–Ir bond lengths are 3.38 Å. All Ca–Ge bond lengths are 3.25 Å. La is bonded in a 8-coordinate geometry to eight equivalent Ir and eight equivalent Ge atoms. All La–Ir bond lengths are 3.38 Å. All La–Ge bond lengths are 3.27 Å. Ir is bonded to two equivalent Ca, two equivalent La, and four Ge atoms to form a mixture of distorted edge, corner, and face-sharing IrCa2La2Ge4 tetrahedra. There are two shorter (2.48 Å) and two longer (2.50 Å) Ir–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent Ca, four equivalent Ir, and one Ge atom. The Ge–Ge bond length is 2.60 Å. In the second Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent La, four equivalent Ir, and one Ge atom. The Ge–Ge bond length is 2.68 Å.

36 MATERIALS SCIENCE↗