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DOE OSTI2020

Materials Data on Pd(AuF4)2 by Materials Project

Pd(AuF4)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Pd2+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of Pd–F bond distances ranging from 2.17–2.19 Å. Au3+ is bonded in a rectangular see-saw-like geometry to four F1- atoms. There are a spread of Au–F bond distances ranging from 1.95–2.00 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 120 degrees geometry to one Pd2+ and one Au3+ atom. In the second F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Pd2+ and one Au3+ atom. In the third F1- site, F1- is bonded in a bent 120 degrees geometry to one Pd2+ and one Au3+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Au3+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Imaging the kinetics of anisotropic dissolution of bimetallic core–shell nanocubes using graphene liquid cells

Chemical design of multicomponent nanocrystals requires atomic-level understanding of reaction kinetics. Here, we apply single-particle imaging coupled with atomistic simulation to study reaction pathways and rates of Pd@Au and Cu@Au core-shell nanocubes undergoing oxidative dissolution. Quantitative analysis of etching kinetics using in situ transmission electron microscopy (TEM) imaging reveals that the dissolution mechanism changes from predominantly edge-selective to layer-by-layer removal of Au atoms as the reaction progresses. Dissolution of the Au shell slows down when both metals are exposed, which we attribute to galvanic corrosion protection. Morphological transformations are determined by intrinsic anisotropy due to coordination-number-dependent atom removal rates and extrinsic anisotropy induced by the graphene window. Our work demonstrates that bimetallic coreshell nanocrystals are excellent probes for the local physicochemical conditions inside TEM liquid cells. Furthermore, single-particle TEM imaging and atomistic simulation of reaction trajectories can inform future design strategies for compositionally and architecturally sophisticated nanocrystals.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2020

Materials Data on Rb2PdN2(ClO2)2 by Materials Project

Rb2PdN2(O2Cl)2 crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. Rb1+ is bonded in a 10-coordinate geometry to six equivalent O2- and four equivalent Cl1- atoms. There are a spread of Rb–O bond distances ranging from 3.11–3.37 Å. There are two shorter (3.51 Å) and two longer (3.52 Å) Rb–Cl bond lengths. Pd2+ is bonded in a 6-coordinate geometry to two equivalent N3+ and four equivalent Cl1- atoms. Both Pd–N bond lengths are 2.05 Å. There are two shorter (2.36 Å) and two longer (3.22 Å) Pd–Cl bond lengths. N3+ is bonded in a distorted bent 120 degrees geometry to one Pd2+ and two equivalent O2- atoms. Both N–O bond lengths are 1.25 Å. O2- is bonded in a distorted single-bond geometry to three equivalent Rb1+ and one N3+ atom. Cl1- is bonded in a distorted single-bond geometry to four equivalent Rb1+ and two equivalent Pd2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ga2PdI8 by Materials Project

PdGa2I8 crystallizes in the monoclinic C2/m space group. The structure is zero-dimensional and consists of two PdGa2I8 clusters. Pd2+ is bonded in a square co-planar geometry to four equivalent I1- atoms. All Pd–I bond lengths are 2.65 Å. Ga3+ is bonded in a tetrahedral geometry to four I1- atoms. There are a spread of Ga–I bond distances ranging from 2.52–2.68 Å. There are three inequivalent I1- sites. In the first I1- site, I1- is bonded in an L-shaped geometry to one Pd2+ and one Ga3+ atom. In the second I1- site, I1- is bonded in a single-bond geometry to one Ga3+ atom. In the third I1- site, I1- is bonded in a single-bond geometry to one Ga3+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Rb2Hg2PdCl8 by Materials Project

Rb2PdHg2Cl8 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Rb1+ is bonded in a 10-coordinate geometry to ten Cl1- atoms. There are a spread of Rb–Cl bond distances ranging from 3.44–3.87 Å. Pd2+ is bonded in a square co-planar geometry to four equivalent Cl1- atoms. All Pd–Cl bond lengths are 2.33 Å. Hg2+ is bonded in a 2-coordinate geometry to five Cl1- atoms. There are a spread of Hg–Cl bond distances ranging from 2.35–3.27 Å. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted single-bond geometry to two equivalent Rb1+ and two equivalent Hg2+ atoms. In the second Cl1- site, Cl1- is bonded to three equivalent Rb1+, one Pd2+, and one Hg2+ atom to form a mixture of distorted corner, edge, and face-sharing ClRb3HgPd square pyramids. In the third Cl1- site, Cl1- is bonded in a distorted single-bond geometry to two equivalent Rb1+ and one Hg2+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on H12Pd(I2N)4 by Materials Project

PdN4H12(I)8 crystallizes in the monoclinic P2_1/m space group. The structure is zero-dimensional and consists of two hydriodic acid molecules, four I clusters, and two PdN4H12 clusters. In two of the I clusters, there are three inequivalent I1- sites. In the first I1- site, I1- is bonded in a 3-coordinate geometry to one I1- atom. The I–I bond length is 3.18 Å. In the second I1- site, I1- is bonded in a linear geometry to two I1- atoms. The I–I bond length is 2.84 Å. In the third I1- site, I1- is bonded in a distorted single-bond geometry to one I1- atom. In two of the I clusters, there are four inequivalent I1- sites. In the first I1- site, I1- is bonded in a 1-coordinate geometry to one I1- atom. The I–I bond length is 2.96 Å. In the second I1- site, I1- is bonded in a distorted linear geometry to two I1- atoms. The I–I bond length is 2.96 Å. In the third I1- site, I1- is bonded in a distorted L-shaped geometry to two I1- atoms. The I–I bond length is 3.26 Å. In the fourth I1- site, I1- is bonded in a 2-coordinate geometry to one I1- atom. In each PdN4H12 cluster, Pd2+ is bonded in a rectangular see-saw-like geometry to four N+1.50- atoms. There are two shorter (2.06 Å) and two longer (2.09 Å) Pd–N bond lengths. There are two inequivalent N+1.50- sites. In the first N+1.50- site, N+1.50- is bonded in a distorted trigonal non-coplanar geometry to one Pd2+ and three H1+ atoms. There is one shorter (1.02 Å) and two longer (1.03 Å) N–H bond length. In the second N+1.50- site, N+1.50- is bonded in a distorted trigonal non-coplanar geometry to one Pd2+ and three H1+ atoms. All N–H bond lengths are 1.03 Å. There are six inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one N+1.50- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one N+1.50- atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one N+1.50- atom. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one N+1.50- atom. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one N+1.50- atom. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to one N+1.50- atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Rb2Hg2PdBr8 by Materials Project

Rb2PdHg2Br8 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Rb1+ is bonded in a 10-coordinate geometry to ten Br1- atoms. There are a spread of Rb–Br bond distances ranging from 3.59–4.00 Å. Pd2+ is bonded in a square co-planar geometry to four equivalent Br1- atoms. All Pd–Br bond lengths are 2.48 Å. Hg2+ is bonded in a 2-coordinate geometry to five Br1- atoms. There are a spread of Hg–Br bond distances ranging from 2.49–3.50 Å. There are three inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a distorted single-bond geometry to two equivalent Rb1+ and one Hg2+ atom. In the second Br1- site, Br1- is bonded to three equivalent Rb1+, one Pd2+, and one Hg2+ atom to form a mixture of distorted corner, edge, and face-sharing BrRb3HgPd square pyramids. In the third Br1- site, Br1- is bonded in a distorted single-bond geometry to two equivalent Rb1+ and two equivalent Hg2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on K2Pd(CO3)4 by Materials Project

K2Pd(CO3)4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. K is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of K–O bond distances ranging from 2.68–3.21 Å. Pd is bonded in a square co-planar geometry to four O atoms. There are two shorter (2.03 Å) and two longer (2.04 Å) Pd–O bond lengths. There are two inequivalent C sites. In the first C site, C is bonded in a distorted bent 120 degrees geometry to two O atoms. There is one shorter (1.24 Å) and one longer (1.30 Å) C–O bond length. In the second C site, C is bonded in a distorted bent 120 degrees geometry to two O atoms. There is one shorter (1.25 Å) and one longer (1.29 Å) C–O bond length. There are six inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to one K and one O atom. The O–O bond length is 1.23 Å. In the second O site, O is bonded in a 2-coordinate geometry to one K, one Pd, and one C atom. In the third O site, O is bonded in a distorted bent 120 degrees geometry to one K and one C atom. In the fourth O site, O is bonded in a distorted single-bond geometry to three equivalent K and one C atom. In the fifth O site, O is bonded in a distorted bent 120 degrees geometry to one Pd and one C atom. In the sixth O site, O is bonded in a bent 120 degrees geometry to one K and one O atom.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Synthesis of core/shell nanocrystals with ordered intermetallic single-atom alloy layers for nitrate electroreduction to ammonia

Structurally ordered intermetallic nanocrystals (NCs) and single-atom catalysts (SACs) are two emerging catalytic motifs for sustainable chemical production and energy conversion. However, both have synthetic limitations which can lead to the aggregation of NCs or metal atoms. Single-atom alloys (SAAs), which contain isolated metal atoms in a host metal, can overcome the aggregation concern because of the thermodynamic stabilization of single atoms on host metal surfaces. We report a direct solution-phase synthesis of Cu/CuAu core/shell NCs with tunable SAA layers. This synthesis can be extended to other Cu/CuM (M = Pt, Pd) systems, in which M atoms are isolated in the copper host. Using this method, the density of SAAs on a copper surface can be controlled, resulting in both low and high densities of single atoms. Alloying gold into the copper matrix introduced ligand effects that optimized the chemisorption of *NO 3 and *N. As a result, the densely packed Cu/CuAu material demonstrated a high selectivity toward NH 3 from the electrocatalytic nitrate reduction reaction with an 85.5% Faradaic efficiency while maintaining a high yield rate of 8.47 mol h -1 g -1 . This work advances the design of atomically precise catalytic sites by creating core/shell NCs with SAA atomic layers, opening an avenue for broad catalytic applications.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Bi14PdBr16 by Materials Project

Bi14PdBr16 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of two bismuth molecules; one palladium molecule; and one Bi3Br4 ribbon oriented in the (0, 0, 1) direction. In the Bi3Br4 ribbon, there are six inequivalent Bi1+ sites. In the first Bi1+ site, Bi1+ is bonded in a distorted single-bond geometry to one Br1- atom. The Bi–Br bond length is 3.53 Å. In the second Bi1+ site, Bi1+ is bonded in a single-bond geometry to one Br1- atom. The Bi–Br bond length is 3.52 Å. In the third Bi1+ site, Bi1+ is bonded in a 1-coordinate geometry to one Br1- atom. The Bi–Br bond length is 3.60 Å. In the fourth Bi1+ site, Bi1+ is bonded in a single-bond geometry to one Br1- atom. The Bi–Br bond length is 3.55 Å. In the fifth Bi1+ site, Bi1+ is bonded to six Br1- atoms to form a mixture of edge and corner-sharing BiBr6 octahedra. The corner-sharing octahedra tilt angles range from 60–64°. There are a spread of Bi–Br bond distances ranging from 2.77–3.14 Å. In the sixth Bi1+ site, Bi1+ is bonded to six Br1- atoms to form a mixture of edge and corner-sharing BiBr6 octahedra. The corner-sharing octahedra tilt angles range from 60–64°. There are a spread of Bi–Br bond distances ranging from 2.75–3.20 Å. There are eight inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a distorted single-bond geometry to two Bi1+ atoms. In the second Br1- site, Br1- is bonded in a single-bond geometry to one Bi1+ atom. In the third Br1- site, Br1- is bonded in a bent 120 degrees geometry to two Bi1+ atoms. In the fourth Br1- site, Br1- is bonded in a water-like geometry to two equivalent Bi1+ atoms. In the fifth Br1- site, Br1- is bonded in a distorted bent 120 degrees geometry to two Bi1+ atoms. In the sixth Br1- site, Br1- is bonded in a single-bond geometry to two Bi1+ atoms. In the seventh Br1- site, Br1- is bonded in an L-shaped geometry to two equivalent Bi1+ atoms. In the eighth Br1- site, Br1- is bonded in a distorted single-bond geometry to three Bi1+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pr2Sb3Pd by Materials Project

(PrSb)2PdSb crystallizes in the tetragonal P4/mmm space group. The structure is zero-dimensional and consists of one antimony molecule, one palladium molecule, and two PrSb clusters. In each PrSb cluster, Pr3+ is bonded in a single-bond geometry to one Sb+2.67- atom. The Pr–Sb bond length is 2.73 Å. Sb+2.67- is bonded in a single-bond geometry to one Pr3+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pr2Sb3Pd by Materials Project

(PrSb)2PdSb crystallizes in the tetragonal P4/mmm space group. The structure is zero-dimensional and consists of one antimony molecule, one palladium molecule, and two PrSb clusters. In each PrSb cluster, Pr3+ is bonded in a single-bond geometry to one Sb+2.67- atom. The Pr–Sb bond length is 2.72 Å. Sb+2.67- is bonded in a single-bond geometry to one Pr3+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tb2Sb3Pd by Materials Project

(TbSb)2PdSb crystallizes in the tetragonal P4/mmm space group. The structure is zero-dimensional and consists of one antimony molecule, one palladium molecule, and two TbSb clusters. In each TbSb cluster, Tb3+ is bonded in a single-bond geometry to one Sb+2.67- atom. The Tb–Sb bond length is 2.65 Å. Sb+2.67- is bonded in a single-bond geometry to one Tb3+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CoPdN5Cl5O by Materials Project

CoPdN3OCl5N2 crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of four nitrogen molecules and two CoPdN3OCl5 ribbons oriented in the (0, 1, 0) direction. In each CoPdN3OCl5 ribbon, Co2+ is bonded in a distorted bent 120 degrees geometry to three N+0.20+ atoms. There are a spread of Co–N bond distances ranging from 1.70–2.00 Å. There are two inequivalent Pd4+ sites. In the first Pd4+ site, Pd4+ is bonded in a square co-planar geometry to four Cl1- atoms. There are two shorter (2.32 Å) and two longer (2.33 Å) Pd–Cl bond lengths. In the second Pd4+ site, Pd4+ is bonded in a square co-planar geometry to four Cl1- atoms. There are two shorter (2.31 Å) and two longer (2.35 Å) Pd–Cl bond lengths. There are three inequivalent N+0.20+ sites. In the first N+0.20+ site, N+0.20+ is bonded in a bent 150 degrees geometry to one Co2+ and one O2- atom. The N–O bond length is 1.17 Å. In the second N+0.20+ site, N+0.20+ is bonded in a 3-coordinate geometry to one Co2+ and two Cl1- atoms. There is one shorter (1.70 Å) and one longer (1.91 Å) N–Cl bond length. In the third N+0.20+ site, N+0.20+ is bonded in a distorted bent 150 degrees geometry to one Co2+ and one Cl1- atom. The N–Cl bond length is 1.62 Å. O2- is bonded in a single-bond geometry to one N+0.20+ atom. There are five inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Pd4+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one N+0.20+ atom. In the third Cl1- site, Cl1- is bonded in a bent 120 degrees geometry to one Pd4+ and one N+0.20+ atom. In the fourth Cl1- site, Cl1- is bonded in a water-like geometry to one Pd4+ and one N+0.20+ atom. In the fifth Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Pd4+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on H6Pd(NO)4 by Materials Project

PdH6(NO)4 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of one PdH6(NO)4 cluster. Pd2+ is bonded in a square co-planar geometry to four N atoms. There are two shorter (2.03 Å) and two longer (2.09 Å) Pd–N bond lengths. There are two inequivalent N sites. In the first N site, N is bonded in a trigonal planar geometry to one Pd2+ and two O2- atoms. There is one shorter (1.25 Å) and one longer (1.26 Å) N–O bond length. In the second N site, N is bonded in a distorted trigonal non-coplanar geometry to one Pd2+ and three H1+ atoms. All N–H bond lengths are 1.03 Å. There are three inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one N atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one N atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one N atom. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one N atom. In the second O2- site, O2- is bonded in a single-bond geometry to one N atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tl4Pd3Cl10 by Materials Project

Pd3Tl4Cl10 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. there are two inequivalent Pd2+ sites. In the first Pd2+ site, Pd2+ is bonded in a distorted octahedral geometry to six Cl1- atoms. There are a spread of Pd–Cl bond distances ranging from 2.33–3.10 Å. In the second Pd2+ site, Pd2+ is bonded in a square co-planar geometry to four Cl1- atoms. There are a spread of Pd–Cl bond distances ranging from 2.32–2.36 Å. There are three inequivalent Tl1+ sites. In the first Tl1+ site, Tl1+ is bonded in a 11-coordinate geometry to eleven Cl1- atoms. There are a spread of Tl–Cl bond distances ranging from 3.32–3.94 Å. In the second Tl1+ site, Tl1+ is bonded in a distorted body-centered cubic geometry to eight Cl1- atoms. There are a spread of Tl–Cl bond distances ranging from 3.12–3.69 Å. In the third Tl1+ site, Tl1+ is bonded in a 10-coordinate geometry to ten Cl1- atoms. There are a spread of Tl–Cl bond distances ranging from 3.24–3.81 Å. There are six inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 1-coordinate geometry to two Pd2+ and four Tl1+ atoms. In the second Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Pd2+ and four Tl1+ atoms. In the third Cl1- site, Cl1- is bonded in a 1-coordinate geometry to one Pd2+ and four Tl1+ atoms. In the fourth Cl1- site, Cl1- is bonded in a distorted square co-planar geometry to one Pd2+ and three Tl1+ atoms. In the fifth Cl1- site, Cl1- is bonded in a distorted bent 120 degrees geometry to two equivalent Pd2+ and three Tl1+ atoms. In the sixth Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Pd2+ and five Tl1+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Si4Te2H44Pd(C8Cl)2 by Materials Project

PdSi4H44Te2(C8Cl)2 crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of four PdSi4H44Te2(C8Cl)2 clusters. Pd2+ is bonded in a distorted square co-planar geometry to two equivalent Te2- and two equivalent Cl1- atoms. Both Pd–Te bond lengths are 2.66 Å. Both Pd–Cl bond lengths are 2.35 Å. There are two inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded in a tetrahedral geometry to four C+3.50- atoms. There is three shorter (1.88 Å) and one longer (1.91 Å) Si–C bond length. In the second Si4+ site, Si4+ is bonded in a tetrahedral geometry to four C+3.50- atoms. There is three shorter (1.88 Å) and one longer (1.90 Å) Si–C bond length. There are eight inequivalent C+3.50- sites. In the first C+3.50- site, C+3.50- is bonded to one Si4+, two H1+, and one Te2- atom to form distorted corner-sharing CSiTeH2 tetrahedra. Both C–H bond lengths are 1.10 Å. The C–Te bond length is 2.17 Å. In the second C+3.50- site, C+3.50- is bonded to one Si4+, two H1+, and one Te2- atom to form distorted corner-sharing CSiTeH2 tetrahedra. Both C–H bond lengths are 1.10 Å. The C–Te bond length is 2.17 Å. In the third C+3.50- site, C+3.50- is bonded to one Si4+ and three H1+ atoms to form corner-sharing CSiH3 tetrahedra. All C–H bond lengths are 1.10 Å. In the fourth C+3.50- site, C+3.50- is bonded to one Si4+ and three H1+ atoms to form corner-sharing CSiH3 tetrahedra. All C–H bond lengths are 1.10 Å. In the fifth C+3.50- site, C+3.50- is bonded to one Si4+ and three H1+ atoms to form corner-sharing CSiH3 tetrahedra. All C–H bond lengths are 1.10 Å. In the sixth C+3.50- site, C+3.50- is bonded to one Si4+ and three H1+ atoms to form corner-sharing CSiH3 tetrahedra. All C–H bond lengths are 1.10 Å. In the seventh C+3.50- site, C+3.50- is bonded to one Si4+ and three H1+ atoms to form corner-sharing CSiH3 tetrahedra. All C–H bond lengths are 1.10 Å. In the eighth C+3.50- site, C+3.50- is bonded to one Si4+ and three H1+ atoms to form corner-sharing CSiH3 tetrahedra. All C–H bond lengths are 1.10 Å. There are twenty-two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one C+3.50- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one C+3.50- atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one C+3.50- atom. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one C+3.50- atom. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one C+3.50- atom. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to one C+3.50- atom. In the seventh H1+ site, H1+ is bonded in a single-bond geometry to one C+3.50- atom. In the eighth H1+ site, H1+ is bonded in a single-bond geometry to one C+3.50- atom. In the ninth H1+ site, H1+ is bonded in a single-bond geometry to one C+3.50- atom. In the tenth H1+ site, H1+ is bonded in a single-bond geometry to one C+3.50- atom. In the eleventh H1+ site, H1+ is bonded in a single-bond geometry to one C+3.50- atom. In the twelfth H1+ site, H1+ is bonded in a single-bond geometry to one C+3.50- atom. In the thirteenth H1+ site, H1+ is bonded in a single-bond geometry to one C+3.50- atom. In the fourteenth H1+ site, H1+ is bonded in a single-bond geometry to one C+3.50- atom. In the fifteenth H1+ site, H1+ is bonded in a single-bond geometry to one C+3.50- atom. In the sixteenth H1+ site, H1+ is bonded in a single-bond geometry to one C+3.50- atom. In the seventeenth H1+ site, H1+ is bonded in a single-bond geometry to one C+3.50- atom. In the eighteenth H1+ site, H1+ is bonded in a single-bond geometry to one C+3.50- atom. In the nineteenth H1+ site, H1+ is bonded in a single-bond geometry to one C+3.50- atom. In the twentieth H1+ site, H1+ is bonded in a single-bond geometry to one C+3.50- atom. In the twenty-first H1+ site, H1+ is bonded in a single-bond geometry to one C+3.50- atom. In the twenty-second H1+ site, H1+ is bonded in a single-bond geometry to one C+3.50- atom. Te2- is bonded in a 3-coordinate geometry to one Pd2+ and two C+3.50- atoms. Cl1- is bonded in a single-bond geometry to one Pd2+ atom.

36 MATERIALS SCIENCE↗