Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Re”

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 595 records · Page 33
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Re2AuSe by Materials Project

Re2AuSe is Zintl Phase-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are two inequivalent Re sites. In the first Re site, Re is bonded to six equivalent Au and four equivalent Se atoms to form distorted ReAu6Se4 tetrahedra that share corners with six equivalent ReAu6Se4 tetrahedra, edges with twelve equivalent ReAu4Se6 tetrahedra, and faces with sixteen ReAu6Se4 tetrahedra. All Re–Au bond lengths are 3.21 Å. All Re–Se bond lengths are 2.78 Å. In the second Re site, Re is bonded to four equivalent Au and six equivalent Se atoms to form distorted ReAu4Se6 tetrahedra that share corners with six equivalent ReAu4Se6 tetrahedra, edges with twelve equivalent ReAu6Se4 tetrahedra, and faces with sixteen ReAu6Se4 tetrahedra. All Re–Au bond lengths are 2.78 Å. All Re–Se bond lengths are 3.21 Å. Au is bonded in a 4-coordinate geometry to ten Re and four equivalent Se atoms. All Au–Se bond lengths are 2.78 Å. Se is bonded in a 4-coordinate geometry to ten Re and four equivalent Au atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Re3W by Materials Project

Re3W is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. W is bonded to twelve Re atoms to form WRe12 cuboctahedra that share corners with four equivalent WRe12 cuboctahedra, corners with eight equivalent ReRe8W4 cuboctahedra, edges with eight equivalent WRe12 cuboctahedra, edges with sixteen equivalent ReRe8W4 cuboctahedra, faces with four equivalent WRe12 cuboctahedra, and faces with fourteen ReRe8W4 cuboctahedra. There are eight shorter (2.79 Å) and four longer (2.80 Å) W–Re bond lengths. There are two inequivalent Re sites. In the first Re site, Re is bonded to four equivalent W and eight Re atoms to form distorted ReRe8W4 cuboctahedra that share corners with twelve equivalent ReRe8W4 cuboctahedra, edges with eight equivalent WRe12 cuboctahedra, edges with sixteen ReRe8W4 cuboctahedra, faces with four equivalent WRe12 cuboctahedra, and faces with fourteen ReRe8W4 cuboctahedra. There are four shorter (2.79 Å) and four longer (2.80 Å) Re–Re bond lengths. In the second Re site, Re is bonded to four equivalent W and eight equivalent Re atoms to form distorted ReRe8W4 cuboctahedra that share corners with four equivalent ReRe8W4 cuboctahedra, corners with eight equivalent WRe12 cuboctahedra, edges with twenty-four ReRe8W4 cuboctahedra, faces with six equivalent WRe12 cuboctahedra, and faces with twelve ReRe8W4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Re3C by Materials Project

Re3C is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Re sites. In the first Re site, Re is bonded to four equivalent Re and four equivalent C atoms to form a mixture of distorted edge, face, and corner-sharing ReRe4C4 tetrahedra. All Re–Re bond lengths are 2.61 Å. All Re–C bond lengths are 2.61 Å. In the second Re site, Re is bonded in a distorted body-centered cubic geometry to eight equivalent Re atoms. C is bonded in a body-centered cubic geometry to eight equivalent Re atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Re3F by Materials Project

Re3F is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Re sites. In the first Re site, Re is bonded to four equivalent Re and four equivalent F atoms to form a mixture of edge, face, and corner-sharing ReRe4F4 tetrahedra. All Re–Re bond lengths are 2.64 Å. All Re–F bond lengths are 2.64 Å. In the second Re site, Re is bonded in a body-centered cubic geometry to eight equivalent Re atoms. F is bonded in a body-centered cubic geometry to eight equivalent Re atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NaRe3 by Materials Project

NaRe3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Na is bonded in a distorted body-centered cubic geometry to fourteen Re atoms. There are eight shorter (2.71 Å) and six longer (3.13 Å) Na–Re bond lengths. There are two inequivalent Re sites. In the first Re site, Re is bonded to four equivalent Na and four equivalent Re atoms to form a mixture of distorted edge, face, and corner-sharing ReNa4Re4 tetrahedra. All Re–Re bond lengths are 2.71 Å. In the second Re site, Re is bonded in a 8-coordinate geometry to six equivalent Na and eight equivalent Re atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MgRe3 by Materials Project

MgRe3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mg is bonded in a distorted body-centered cubic geometry to fourteen Re atoms. There are eight shorter (2.70 Å) and six longer (3.11 Å) Mg–Re bond lengths. There are two inequivalent Re sites. In the first Re site, Re is bonded to four equivalent Mg and four equivalent Re atoms to form a mixture of distorted edge, face, and corner-sharing ReMg4Re4 tetrahedra. All Re–Re bond lengths are 2.70 Å. In the second Re site, Re is bonded in a 8-coordinate geometry to six equivalent Mg and eight equivalent Re atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SmRe3 by Materials Project

SmRe3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sm is bonded in a distorted body-centered cubic geometry to fourteen Re atoms. There are eight shorter (2.83 Å) and six longer (3.27 Å) Sm–Re bond lengths. There are two inequivalent Re sites. In the first Re site, Re is bonded to four equivalent Sm and four equivalent Re atoms to form a mixture of distorted face, edge, and corner-sharing ReSm4Re4 tetrahedra. All Re–Re bond lengths are 2.83 Å. In the second Re site, Re is bonded in a 8-coordinate geometry to six equivalent Sm and eight equivalent Re atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Re7B3 by Materials Project

Re7B3 crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. there are three inequivalent Re sites. In the first Re site, Re is bonded in a 3-coordinate geometry to three equivalent B atoms. All Re–B bond lengths are 2.24 Å. In the second Re site, Re is bonded in a distorted L-shaped geometry to two equivalent B atoms. Both Re–B bond lengths are 2.26 Å. In the third Re site, Re is bonded in a 3-coordinate geometry to three equivalent B atoms. There are one shorter (2.20 Å) and two longer (2.23 Å) Re–B bond lengths. B is bonded in a 6-coordinate geometry to six Re atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ReW2C by Materials Project

W2ReC is H-Phase-like structured and crystallizes in the trigonal P3m1 space group. The structure is two-dimensional and consists of one W2ReC sheet oriented in the (0, 0, 1) direction. there are four inequivalent W sites. In the first W site, W is bonded in a 6-coordinate geometry to three equivalent Re and three equivalent C atoms. All W–Re bond lengths are 2.80 Å. All W–C bond lengths are 2.12 Å. In the second W site, W is bonded in a 3-coordinate geometry to three equivalent C atoms. All W–C bond lengths are 2.14 Å. In the third W site, W is bonded to six Re atoms to form distorted WRe6 cuboctahedra that share corners with three equivalent CRe3W3 octahedra, edges with six equivalent WRe6 cuboctahedra, and edges with three equivalent CRe3W3 octahedra. The corner-sharing octahedral tilt angles are 18°. There are three shorter (2.78 Å) and three longer (2.85 Å) W–Re bond lengths. In the fourth W site, W is bonded in a 3-coordinate geometry to three equivalent C atoms. All W–C bond lengths are 2.11 Å. There are two inequivalent Re sites. In the first Re site, Re is bonded in a 3-coordinate geometry to three equivalent W and three equivalent C atoms. All Re–C bond lengths are 2.10 Å. In the second Re site, Re is bonded to six W atoms to form distorted ReW6 cuboctahedra that share corners with three equivalent CW6 octahedra, edges with six equivalent ReW6 cuboctahedra, and edges with three equivalent CW6 octahedra. The corner-sharing octahedral tilt angles are 16°. There are two inequivalent C sites. In the first C site, C is bonded to six W atoms to form CW6 octahedra that share corners with three equivalent ReW6 cuboctahedra, edges with three equivalent ReW6 cuboctahedra, and edges with six equivalent CW6 octahedra. In the second C site, C is bonded to three equivalent W and three equivalent Re atoms to form CRe3W3 octahedra that share corners with three equivalent WRe6 cuboctahedra, edges with three equivalent WRe6 cuboctahedra, and edges with six equivalent CRe3W3 octahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on BaRe3 by Materials Project

BaRe3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ba is bonded in a distorted body-centered cubic geometry to fourteen Re atoms. There are eight shorter (2.89 Å) and six longer (3.33 Å) Ba–Re bond lengths. There are two inequivalent Re sites. In the first Re site, Re is bonded to four equivalent Ba and four equivalent Re atoms to form a mixture of distorted edge, corner, and face-sharing ReBa4Re4 tetrahedra. All Re–Re bond lengths are 2.89 Å. In the second Re site, Re is bonded in a 8-coordinate geometry to six equivalent Ba and eight equivalent Re atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Re3H by Materials Project

Re3H is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Re sites. In the first Re site, Re is bonded in a 8-coordinate geometry to four equivalent Re and four equivalent H atoms. All Re–Re bond lengths are 2.59 Å. All Re–H bond lengths are 2.59 Å. In the second Re site, Re is bonded in a body-centered cubic geometry to eight equivalent Re atoms. H is bonded in a distorted body-centered cubic geometry to eight equivalent Re atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Re2Os(Se2Cl)2 by Materials Project

Re2Os(Se2Cl)2 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one Re2Os(Se2Cl)2 sheet oriented in the (1, -1, 0) direction. there are four inequivalent Re6+ sites. In the first Re6+ site, Re6+ is bonded in a 5-coordinate geometry to two equivalent Os2- and five Se2- atoms. There are one shorter (2.65 Å) and one longer (2.66 Å) Re–Os bond lengths. There are a spread of Re–Se bond distances ranging from 2.52–2.67 Å. In the second Re6+ site, Re6+ is bonded in a 5-coordinate geometry to two equivalent Os2-, four Se2-, and one Cl1- atom. There are one shorter (2.65 Å) and one longer (2.66 Å) Re–Os bond lengths. There are one shorter (2.53 Å) and three longer (2.54 Å) Re–Se bond lengths. The Re–Cl bond length is 2.49 Å. In the third Re6+ site, Re6+ is bonded in a 5-coordinate geometry to two equivalent Os2-, four Se2-, and one Cl1- atom. There are one shorter (2.66 Å) and one longer (2.67 Å) Re–Os bond lengths. There are a spread of Re–Se bond distances ranging from 2.50–2.58 Å. The Re–Cl bond length is 2.51 Å. In the fourth Re6+ site, Re6+ is bonded in a 1-coordinate geometry to two equivalent Os2-, four Se2-, and one Cl1- atom. There are one shorter (2.66 Å) and one longer (2.67 Å) Re–Os bond lengths. There are a spread of Re–Se bond distances ranging from 2.52–2.56 Å. The Re–Cl bond length is 2.37 Å. There are two inequivalent Os2- sites. In the first Os2- site, Os2- is bonded in a 1-coordinate geometry to four Re6+, four Se2-, and one Cl1- atom. There are a spread of Os–Se bond distances ranging from 2.51–2.53 Å. The Os–Cl bond length is 2.37 Å. In the second Os2- site, Os2- is bonded in a 1-coordinate geometry to four Re6+, four Se2-, and one Cl1- atom. There are a spread of Os–Se bond distances ranging from 2.51–2.53 Å. The Os–Cl bond length is 2.37 Å. There are eight inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 8-coordinate geometry to two Re6+ and one Os2- atom. In the second Se2- site, Se2- is bonded in a 5-coordinate geometry to two Re6+ and one Os2- atom. In the third Se2- site, Se2- is bonded in a 4-coordinate geometry to two Re6+ and one Os2- atom. In the fourth Se2- site, Se2- is bonded in a 6-coordinate geometry to two Re6+ and one Os2- atom. In the fifth Se2- site, Se2- is bonded in a 4-coordinate geometry to two Re6+ and one Os2- atom. In the sixth Se2- site, Se2- is bonded in a 5-coordinate geometry to two Re6+ and one Os2- atom. In the seventh Se2- site, Se2- is bonded in a 4-coordinate geometry to three Re6+ and one Os2- atom. In the eighth Se2- site, Se2- is bonded in a 4-coordinate geometry to two Re6+, one Os2-, and one Cl1- atom. The Se–Cl bond length is 3.41 Å. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Os2- atom. In the second Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Os2- atom. In the third Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Re6+ and one Se2- atom. In the fourth Cl1- site, Cl1- is bonded in a bent 120 degrees geometry to two Re6+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Thermochemistry of sodium rare earth ternary fluorides, NaREF 4

Sodium rare earth fluorides, NaREF 4 (RE = rare earth), are used as luminescent materials for light emission and biomedical applications and are important compositions for extracting and separating RE elements. Solution calorimetric measurements of a series of β-structured NaREF 4 (Na 1.5 RE 1.5 F 6 ) phases with various RE elements determined their heats of formation. Though the lattice contracts from light to heavy RE elements, NaREF 4 compounds show more exothermic enthalpies of formation from binary components with the decrease of RE 3+ radii, contrary to behavior seen in most RE oxide ternary compounds. Furthermore, by constructing Born–Haber cycles, the different slopes of lines relating lattice energies to lattice parameters in binary and ternary fluorides appear to be the reason for this reverse trend, which can be associated with changes in the coordination number of RE cations. These trends and the metastability of sodium light RE fluorides not only reveal the key role of ionic radius in RE compound stability, but also are significant for the design and synthesis of new materials and motivate the more effective utilization of RE.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Voluntary Renewable Energy Procurement Programs in Regulated Utility Markets

Multinational corporations are increasingly purchasing renewable energy (RE) to fulfill international commitments, reduce supply chain emissions, limit environmental impact, and secure stable and affordable electricity. The potential scale of global corporate RE purchasing has been estimated to be nearly 100 GW and growing; however, many markets still lack supportive enabling environments for corporations to access RE through on-site project development or private sector transactions. Even where allowed by law, on-site generation may be insufficient due to space and technical constraints, introducing additional challenges. Utility green pricing and utility green tariff programs backed by renewable energy certificates (RECs), referred to as utility green procurement programs (GPPs) in this report, offer powerful market-based solutions to utilities, regulators, and policymakers to provide corporate and other consumers with RE product options while generating revenue to support RE development. As RE markets expand around the globe, GPPs have proven to be effective mechanisms in market regimes, ranging from fully integrated state-owned utilities to broadly liberalized power markets. GPPs utilize RECs, which are a type of energy attribute certificate and closely resemble guarantees of origin, to track and ultimately monetize RE attributes that corporations and other buyers must procure to demonstrate progress against their RE commitments and make public claims of RE use. Time-tested and transparent REC accounting mechanisms provide market confidence, while at the same time offering flexibility to utilities, regulators, and customers for a range of applications. RECs are used in all types of electricity market structures, as indicated in Figure 1, but REC-based program designs and supporting components differ depending on the type of market. Liberalized markets allow for customers to contract directly with generators for electricity and RECs, while traditionally regulated markets with vertically integrated utility structures may have greater restrictions on generation asset ownership and electricity sales. RE markets can be further defined as being either mandatory or voluntary. Mandatory markets require suppliers to deliver specified amounts of RE to grid customers, such as under a renewable portfolio standard (RPS), while voluntary markets involve no legal mandates, but demand is driven by self-imposed customer goals.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2020

Materials Data on Nd2Re3Si5 by Materials Project

Nd2Re3Si5 crystallizes in the tetragonal P4/mnc space group. The structure is three-dimensional. Nd3+ is bonded in a 9-coordinate geometry to nine Si4- atoms. There are a spread of Nd–Si bond distances ranging from 2.89–3.26 Å. There are two inequivalent Re+4.67+ sites. In the first Re+4.67+ site, Re+4.67+ is bonded in a distorted hexagonal planar geometry to six Si4- atoms. There are four shorter (2.50 Å) and two longer (2.68 Å) Re–Si bond lengths. In the second Re+4.67+ site, Re+4.67+ is bonded to six Si4- atoms to form a mixture of distorted face, edge, and corner-sharing ReSi6 octahedra. The corner-sharing octahedral tilt angles are 49°. There are a spread of Re–Si bond distances ranging from 2.48–2.54 Å. There are three inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 10-coordinate geometry to four equivalent Nd3+ and four equivalent Re+4.67+ atoms. In the second Si4- site, Si4- is bonded in a 9-coordinate geometry to three equivalent Nd3+, four Re+4.67+, and two equivalent Si4- atoms. Both Si–Si bond lengths are 2.60 Å. In the third Si4- site, Si4- is bonded in a 11-coordinate geometry to four equivalent Nd3+, three Re+4.67+, and four Si4- atoms. Both Si–Si bond lengths are 2.86 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Re3O8 by Materials Project

Re3O8 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Re+5.33+ sites. In the first Re+5.33+ site, Re+5.33+ is bonded to six O2- atoms to form corner-sharing ReO6 octahedra. The corner-sharing octahedra tilt angles range from 39–44°. There is four shorter (1.90 Å) and two longer (2.00 Å) Re–O bond length. In the second Re+5.33+ site, Re+5.33+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing ReO6 octahedra. The corner-sharing octahedra tilt angles range from 39–44°. There are a spread of Re–O bond distances ranging from 1.90–2.06 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted T-shaped geometry to three Re+5.33+ atoms. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to two Re+5.33+ atoms. In the third O2- site, O2- is bonded in an L-shaped geometry to two equivalent Re+5.33+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TlRe3(S2Cl)2 by Materials Project

Re3Tl(S2Cl)2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are six inequivalent Re3+ sites. In the first Re3+ site, Re3+ is bonded to five S2- atoms to form a mixture of edge and corner-sharing ReS5 square pyramids. There are a spread of Re–S bond distances ranging from 2.41–2.51 Å. In the second Re3+ site, Re3+ is bonded to four S2- and one Cl1- atom to form ReS4Cl square pyramids that share a cornercorner with one ReS5 square pyramid and edges with four ReS4Cl square pyramids. There are a spread of Re–S bond distances ranging from 2.40–2.43 Å. The Re–Cl bond length is 2.43 Å. In the third Re3+ site, Re3+ is bonded to five S2- atoms to form a mixture of edge and corner-sharing ReS5 square pyramids. There are a spread of Re–S bond distances ranging from 2.41–2.52 Å. In the fourth Re3+ site, Re3+ is bonded to four S2- and one Cl1- atom to form ReS4Cl square pyramids that share a cornercorner with one ReS5 square pyramid and edges with four ReS4Cl square pyramids. There are a spread of Re–S bond distances ranging from 2.41–2.43 Å. The Re–Cl bond length is 2.42 Å. In the fifth Re3+ site, Re3+ is bonded to four S2- and one Cl1- atom to form a mixture of edge and corner-sharing ReS4Cl square pyramids. There are a spread of Re–S bond distances ranging from 2.41–2.43 Å. The Re–Cl bond length is 2.41 Å. In the sixth Re3+ site, Re3+ is bonded to four S2- and one Cl1- atom to form a mixture of edge and corner-sharing ReS4Cl square pyramids. There are a spread of Re–S bond distances ranging from 2.40–2.44 Å. The Re–Cl bond length is 2.41 Å. There are two inequivalent Tl1+ sites. In the first Tl1+ site, Tl1+ is bonded in a 3-coordinate geometry to four S2- and four Cl1- atoms. There are a spread of Tl–S bond distances ranging from 3.49–3.87 Å. There are a spread of Tl–Cl bond distances ranging from 3.07–3.68 Å. In the second Tl1+ site, Tl1+ is bonded in a 7-coordinate geometry to three S2- and four Cl1- atoms. There are a spread of Tl–S bond distances ranging from 3.47–3.58 Å. There are a spread of Tl–Cl bond distances ranging from 3.17–3.54 Å. There are eight inequivalent S2- sites. In the first S2- site, S2- is bonded in a 4-coordinate geometry to three Re3+ and one Tl1+ atom. In the second S2- site, S2- is bonded in a 5-coordinate geometry to three Re3+ and two equivalent Tl1+ atoms. In the third S2- site, S2- is bonded in a 4-coordinate geometry to four Re3+ atoms. In the fourth S2- site, S2- is bonded in a 4-coordinate geometry to four Re3+ atoms. In the fifth S2- site, S2- is bonded in a 4-coordinate geometry to three Re3+ and one Tl1+ atom. In the sixth S2- site, S2- is bonded in a 5-coordinate geometry to three Re3+ and one Tl1+ atom. In the seventh S2- site, S2- is bonded in a 4-coordinate geometry to three Re3+ and one Tl1+ atom. In the eighth S2- site, S2- is bonded in a 4-coordinate geometry to three Re3+ and one Tl1+ atom. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 1-coordinate geometry to one Re3+ and two Tl1+ atoms. In the second Cl1- site, Cl1- is bonded in a 1-coordinate geometry to one Re3+ and two equivalent Tl1+ atoms. In the third Cl1- site, Cl1- is bonded in a 1-coordinate geometry to one Re3+ and two equivalent Tl1+ atoms. In the fourth Cl1- site, Cl1- is bonded in a 1-coordinate geometry to one Re3+ and two Tl1+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CsRe6S8Br3 by Materials Project

CsRe6S8Br3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Cs1+ is bonded in a 9-coordinate geometry to four S2- and five Br1- atoms. There are a spread of Cs–S bond distances ranging from 3.83–3.93 Å. There are a spread of Cs–Br bond distances ranging from 3.79–3.99 Å. There are six inequivalent Re3+ sites. In the first Re3+ site, Re3+ is bonded to four S2- and one Br1- atom to form a mixture of edge and corner-sharing ReS4Br square pyramids. There are a spread of Re–S bond distances ranging from 2.40–2.43 Å. The Re–Br bond length is 2.57 Å. In the second Re3+ site, Re3+ is bonded to four S2- and one Br1- atom to form a mixture of edge and corner-sharing ReS4Br square pyramids. There are a spread of Re–S bond distances ranging from 2.40–2.43 Å. The Re–Br bond length is 2.57 Å. In the third Re3+ site, Re3+ is bonded to five S2- atoms to form a mixture of edge and corner-sharing ReS5 square pyramids. There are a spread of Re–S bond distances ranging from 2.41–2.51 Å. In the fourth Re3+ site, Re3+ is bonded to four S2- and one Br1- atom to form a mixture of edge and corner-sharing ReS4Br square pyramids. There are two shorter (2.41 Å) and two longer (2.42 Å) Re–S bond lengths. The Re–Br bond length is 2.68 Å. In the fifth Re3+ site, Re3+ is bonded to four S2- and one Br1- atom to form a mixture of edge and corner-sharing ReS4Br square pyramids. There are two shorter (2.41 Å) and two longer (2.42 Å) Re–S bond lengths. The Re–Br bond length is 2.68 Å. In the sixth Re3+ site, Re3+ is bonded to five S2- atoms to form a mixture of edge and corner-sharing ReS5 square pyramids. There are a spread of Re–S bond distances ranging from 2.40–2.51 Å. There are eight inequivalent S2- sites. In the first S2- site, S2- is bonded in a 4-coordinate geometry to one Cs1+ and three Re3+ atoms. In the second S2- site, S2- is bonded in a 4-coordinate geometry to one Cs1+ and three Re3+ atoms. In the third S2- site, S2- is bonded in a 4-coordinate geometry to three Re3+ atoms. In the fourth S2- site, S2- is bonded in a 4-coordinate geometry to three Re3+ atoms. In the fifth S2- site, S2- is bonded in a 4-coordinate geometry to one Cs1+ and three Re3+ atoms. In the sixth S2- site, S2- is bonded in a 4-coordinate geometry to four Re3+ atoms. In the seventh S2- site, S2- is bonded in a 4-coordinate geometry to four Re3+ atoms. In the eighth S2- site, S2- is bonded in a 4-coordinate geometry to one Cs1+ and three Re3+ atoms. There are three inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a distorted single-bond geometry to two equivalent Cs1+ and one Re3+ atom. In the second Br1- site, Br1- is bonded in a distorted bent 120 degrees geometry to one Cs1+ and two Re3+ atoms. In the third Br1- site, Br1- is bonded in a distorted single-bond geometry to two equivalent Cs1+ and one Re3+ atom.

36 MATERIALS SCIENCE↗