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At least 721 records · Page 40
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DOE OSTI2020

Materials Data on K2Ce(PO4)2 by Materials Project

K2Ce(PO4)2 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. K1+ is bonded to four equivalent O2- atoms to form distorted KO4 hexagonal bipyramids that share corners with four equivalent PO4 tetrahedra and edges with two equivalent KO4 hexagonal bipyramids. All K–O bond lengths are 2.82 Å. Ce4+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are four shorter (2.26 Å) and four longer (2.56 Å) Ce–O bond lengths. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with four equivalent KO4 hexagonal bipyramids. All P–O bond lengths are 1.55 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Ce4+ and one P5+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent K1+, one Ce4+, and one P5+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on K2Se by Materials Project

K2Se is Fluorite structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. K1+ is bonded to four equivalent Se2- atoms to form a mixture of edge and corner-sharing KSe4 tetrahedra. All K–Se bond lengths are 3.36 Å. Se2- is bonded in a body-centered cubic geometry to eight equivalent K1+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on K8NO3 by Materials Project

K8NO3 is Fluorite-derived structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. K1+ is bonded to one N2- and three equivalent O2- atoms to form a mixture of edge and corner-sharing KNO3 tetrahedra. The K–N bond length is 2.88 Å. All K–O bond lengths are 2.83 Å. N2- is bonded in a body-centered cubic geometry to eight equivalent K1+ atoms. O2- is bonded in a body-centered cubic geometry to eight equivalent K1+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on K8PO3 by Materials Project

K8PO3 crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. K1+ is bonded to one P2- and three equivalent O2- atoms to form a mixture of distorted edge and corner-sharing KPO3 tetrahedra. The K–P bond length is 3.13 Å. All K–O bond lengths are 2.92 Å. P2- is bonded in a body-centered cubic geometry to eight equivalent K1+ atoms. O2- is bonded in a body-centered cubic geometry to eight equivalent K1+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on K8N3O by Materials Project

K8N3O is Fluorite-derived structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. K1+ is bonded to three equivalent N2- and one O2- atom to form a mixture of edge and corner-sharing KN3O tetrahedra. All K–N bond lengths are 2.94 Å. The K–O bond length is 2.84 Å. N2- is bonded in a body-centered cubic geometry to eight equivalent K1+ atoms. O2- is bonded in a body-centered cubic geometry to eight equivalent K1+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on K3SO4F by Materials Project

K3SO4F crystallizes in the cubic P-43m space group. The structure is three-dimensional. K1+ is bonded to four equivalent O2- and two equivalent F1- atoms to form distorted KO4F2 pentagonal pyramids that share corners with two equivalent KO4F2 pentagonal pyramids, corners with four equivalent SO4 tetrahedra, and edges with eight equivalent KO4F2 pentagonal pyramids. All K–O bond lengths are 2.78 Å. Both K–F bond lengths are 2.73 Å. S6+ is bonded to four equivalent O2- atoms to form SO4 tetrahedra that share corners with twelve equivalent KO4F2 pentagonal pyramids. All S–O bond lengths are 1.50 Å. O2- is bonded in a distorted rectangular see-saw-like geometry to three equivalent K1+ and one S6+ atom. F1- is bonded to six equivalent K1+ atoms to form corner-sharing FK6 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on K8SbO3 by Materials Project

K8SbO3 crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. K1+ is bonded to one Sb2- and three equivalent O2- atoms to form a mixture of distorted edge and corner-sharing KSbO3 tetrahedra. The K–Sb bond length is 3.29 Å. All K–O bond lengths are 2.98 Å. Sb2- is bonded in a body-centered cubic geometry to eight equivalent K1+ atoms. O2- is bonded in a body-centered cubic geometry to eight equivalent K1+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on K4NO by Materials Project

K4NO is Fluorite-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. K1+ is bonded to two equivalent N2- and two equivalent O2- atoms to form a mixture of edge and corner-sharing KN2O2 tetrahedra. Both K–N bond lengths are 2.92 Å. Both K–O bond lengths are 2.84 Å. N2- is bonded in a body-centered cubic geometry to eight equivalent K1+ atoms. O2- is bonded in a body-centered cubic geometry to eight equivalent K1+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on K8AsO3 by Materials Project

K8AsO3 crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. K1+ is bonded to one As2- and three equivalent O2- atoms to form a mixture of distorted edge and corner-sharing KAsO3 tetrahedra. The K–As bond length is 3.17 Å. All K–O bond lengths are 2.93 Å. As2- is bonded in a body-centered cubic geometry to eight equivalent K1+ atoms. O2- is bonded in a body-centered cubic geometry to eight equivalent K1+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on K3Tc by Materials Project

KK2Tc is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of four potassium molecules and one K2Tc framework. In the K2Tc framework, K1+ is bonded to four equivalent Tc3- atoms to form a mixture of edge and corner-sharing KTc4 tetrahedra. All K–Tc bond lengths are 3.87 Å. Tc3- is bonded in a body-centered cubic geometry to eight equivalent K1+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2024

The Simons Observatory: Design, Integration, and Testing of the Small Aperture Telescopes

The Simons Observatory (SO) is a cosmic microwave background survey experiment that includes small-aperture telescopes (SATs) observing from an altitude of 5200 m in the Atacama Desert in Chile. The SO SATs will cover six spectral bands between 27 and 280 GHz to search for primordial B-modes to a sensitivity of σ(r) = 0.002, with quantified systematic errors well below this value. Each SAT is a self-contained cryogenic telescope with a 35° field of view, 42 cm diameter optical aperture, 40 K half-wave plate, 1 K refractive optics, and <0.1 K focal plane that holds >12,000 transition edge sensor detectors. We describe the nominal design of the SATs and present details about the integration and testing for one operating at 93 and 145 GHz.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2020

Materials Data on K3BiO4 by Materials Project

K3BiO4 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are three inequivalent K1+ sites. In the first K1+ site, K1+ is bonded to six O2- atoms to form distorted KO6 pentagonal pyramids that share corners with two equivalent KO5 trigonal bipyramids, corners with two equivalent BiO5 trigonal bipyramids, edges with three equivalent KO6 pentagonal pyramids, edges with two equivalent BiO5 trigonal bipyramids, and edges with three equivalent KO5 trigonal bipyramids. There are a spread of K–O bond distances ranging from 2.79–3.00 Å. In the second K1+ site, K1+ is bonded to five O2- atoms to form KO5 trigonal bipyramids that share corners with two equivalent KO6 pentagonal pyramids, corners with four equivalent BiO5 trigonal bipyramids, edges with three equivalent KO6 pentagonal pyramids, an edgeedge with one KO5 trigonal bipyramid, and an edgeedge with one BiO5 trigonal bipyramid. There are a spread of K–O bond distances ranging from 2.64–2.82 Å. In the third K1+ site, K1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of K–O bond distances ranging from 2.78–3.22 Å. Bi5+ is bonded to five O2- atoms to form BiO5 trigonal bipyramids that share corners with two equivalent KO6 pentagonal pyramids, corners with four equivalent KO5 trigonal bipyramids, edges with two equivalent KO6 pentagonal pyramids, an edgeedge with one KO5 trigonal bipyramid, and an edgeedge with one BiO5 trigonal bipyramid. There are a spread of Bi–O bond distances ranging from 2.05–2.32 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to four K1+ and one Bi5+ atom. In the second O2- site, O2- is bonded to five K1+ and one Bi5+ atom to form a mixture of distorted corner and edge-sharing OK5Bi octahedra. The corner-sharing octahedra tilt angles range from 13–23°. In the third O2- site, O2- is bonded to five K1+ and one Bi5+ atom to form a mixture of distorted corner and edge-sharing OK5Bi octahedra. The corner-sharing octahedra tilt angles range from 13–23°. In the fourth O2- site, O2- is bonded in a 5-coordinate geometry to three K1+ and two equivalent Bi5+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on K5C4Br by Materials Project

K5C4Br is Caswellsilverite-like structured and crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are ten inequivalent K1+ sites. In the first K1+ site, K1+ is bonded to five C1- and one Br1- atom to form a mixture of edge and corner-sharing KC5Br octahedra. The corner-sharing octahedra tilt angles range from 0–5°. There are a spread of K–C bond distances ranging from 3.01–3.19 Å. The K–Br bond length is 3.30 Å. In the second K1+ site, K1+ is bonded to five C1- and one Br1- atom to form a mixture of edge and corner-sharing KC5Br octahedra. The corner-sharing octahedra tilt angles range from 0–5°. There are a spread of K–C bond distances ranging from 3.01–3.18 Å. The K–Br bond length is 3.29 Å. In the third K1+ site, K1+ is bonded to five C1- and one Br1- atom to form a mixture of edge and corner-sharing KC5Br octahedra. The corner-sharing octahedra tilt angles range from 0–5°. There are a spread of K–C bond distances ranging from 3.01–3.20 Å. The K–Br bond length is 3.28 Å. In the fourth K1+ site, K1+ is bonded to five C1- and one Br1- atom to form a mixture of edge and corner-sharing KC5Br octahedra. The corner-sharing octahedra tilt angles range from 0–5°. There are a spread of K–C bond distances ranging from 3.02–3.18 Å. The K–Br bond length is 3.26 Å. In the fifth K1+ site, K1+ is bonded to four C1- and two Br1- atoms to form a mixture of edge and corner-sharing KC4Br2 octahedra. The corner-sharing octahedra tilt angles range from 0–4°. There are a spread of K–C bond distances ranging from 3.15–3.18 Å. Both K–Br bond lengths are 3.17 Å. In the sixth K1+ site, K1+ is bonded to five C1- and one Br1- atom to form a mixture of edge and corner-sharing KC5Br octahedra. The corner-sharing octahedra tilt angles range from 0–5°. There are a spread of K–C bond distances ranging from 3.02–3.17 Å. The K–Br bond length is 3.30 Å. In the seventh K1+ site, K1+ is bonded to five C1- and one Br1- atom to form a mixture of edge and corner-sharing KC5Br octahedra. The corner-sharing octahedra tilt angles range from 0–5°. There are a spread of K–C bond distances ranging from 3.02–3.19 Å. The K–Br bond length is 3.28 Å. In the eighth K1+ site, K1+ is bonded to five C1- and one Br1- atom to form a mixture of edge and corner-sharing KC5Br octahedra. The corner-sharing octahedra tilt angles range from 0–5°. There are a spread of K–C bond distances ranging from 3.01–3.17 Å. The K–Br bond length is 3.28 Å. In the ninth K1+ site, K1+ is bonded to five C1- and one Br1- atom to form a mixture of edge and corner-sharing KC5Br octahedra. The corner-sharing octahedra tilt angles range from 0–5°. There are a spread of K–C bond distances ranging from 3.01–3.17 Å. The K–Br bond length is 3.27 Å. In the tenth K1+ site, K1+ is bonded to four C1- and two Br1- atoms to form a mixture of edge and corner-sharing KC4Br2 octahedra. The corner-sharing octahedra tilt angles range from 0–4°. There are a spread of K–C bond distances ranging from 3.15–3.18 Å. Both K–Br bond lengths are 3.17 Å. There are eight inequivalent C1- sites. In the first C1- site, C1- is bonded to six K1+ atoms to form CK6 octahedra that share a cornercorner with one BrK6 octahedra, corners with five CK6 octahedra, edges with three BrK6 octahedra, and edges with nine CK6 octahedra. The corner-sharing octahedra tilt angles range from 0–6°. In the second C1- site, C1- is bonded to six K1+ atoms to form CK6 octahedra that share a cornercorner with one BrK6 octahedra, corners with five CK6 octahedra, edges with three BrK6 octahedra, and edges with nine CK6 octahedra. The corner-sharing octahedra tilt angles range from 1–7°. In the third C1- site, C1- is bonded to six K1+ atoms to form CK6 octahedra that share a cornercorner with one BrK6 octahedra, corners with five CK6 octahedra, edges with three BrK6 octahedra, and edges with nine CK6 octahedra. The corner-sharing octahedra tilt angles range from 1–6°. In the fourth C1- site, C1- is bonded to six K1+ atoms to form CK6 octahedra that share a cornercorner with one BrK6 octahedra, corners with five CK6 octahedra, edges with three BrK6 octahedra, and edges with nine CK6 octahedra. The corner-sharing octahedra tilt angles range from 0–7°. In the fifth C1- site, C1- is bonded to six K1+ atoms to form CK6 octahedra that share a cornercorner with one BrK6 octahedra, corners with five CK6 octahedra, edges with three BrK6 octahedra, and edges with nine CK6 octahedra. The corner-sharing octahedra tilt angles range from 1–7°. In the sixth C1- site, C1- is bonded to six K1+ atoms to form CK6 octahedra that share a cornercorner with one BrK6 octahedra, corners with five CK6 octahedra, edges with three BrK6 octahedra, and edges with nine CK6 octahedra. The corner-sharing octahedra tilt angles range from 1–6°. In the seventh C1- site, C1- is bonded to six K1+ atoms to form CK6 octahedra that share a cornercorner with one BrK6 octahedra, corners with five CK6 octahedra, edges with three BrK6 octahedra, and edges with nine CK6 octahedra. The corner-sharing octahedra tilt angles range from 0–6°. In the eighth C1- site, C1- is bonded to six K1+ atoms to form CK6 octahedra that share a cornercorner with one BrK6 octahedra, corners with five CK6 octahedra, edges with three BrK6 octahedra, and edges with nine CK6 octahedra. The corner-sharing octahedra tilt angles range from 0–7°. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded to six K1+ atoms to form BrK6 octahedra that share corners with two equivalent BrK6 octahedra, corners with four CK6 octahedra, and edges with twelve CK6 octahedra. The corner-sharing octahedra tilt angles range from 0–3°. In the second Br1- site, Br1- is bonded to six K1+ atoms to form BrK6 octahedra that share corners with two equivalent BrK6 octahedra, corners with four CK6 octahedra, and edges with twelve CK6 octahedra. The corner-sharing octahedra tilt angles range from 0–3°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on K3SbS4 by Materials Project

K3SbS4 crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of K–S bond distances ranging from 3.17–3.79 Å. In the second K1+ site, K1+ is bonded to six S2- atoms to form distorted KS6 pentagonal pyramids that share corners with seven equivalent KS6 pentagonal pyramids, corners with two equivalent SbS4 tetrahedra, edges with three equivalent KS6 pentagonal pyramids, and edges with two equivalent SbS4 tetrahedra. There are a spread of K–S bond distances ranging from 3.25–3.42 Å. Sb5+ is bonded to four S2- atoms to form SbS4 tetrahedra that share corners with four equivalent KS6 pentagonal pyramids and edges with four equivalent KS6 pentagonal pyramids. There are two shorter (2.37 Å) and two longer (2.38 Å) Sb–S bond lengths. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded to four K1+ and one Sb5+ atom to form distorted corner-sharing SK4Sb trigonal bipyramids. In the second S2- site, S2- is bonded in a 6-coordinate geometry to five K1+ and one Sb5+ atom. In the third S2- site, S2- is bonded in a 5-coordinate geometry to five K1+ and one Sb5+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on KRb3 by Materials Project

Rb3K is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Rb is bonded to eight equivalent Rb and four equivalent K atoms to form RbK4Rb8 cuboctahedra that share corners with twelve equivalent RbK4Rb8 cuboctahedra, edges with eight equivalent KRb12 cuboctahedra, edges with sixteen equivalent RbK4Rb8 cuboctahedra, faces with four equivalent KRb12 cuboctahedra, and faces with fourteen equivalent RbK4Rb8 cuboctahedra. All Rb–Rb bond lengths are 4.96 Å. All Rb–K bond lengths are 4.96 Å. K is bonded to twelve equivalent Rb atoms to form KRb12 cuboctahedra that share corners with twelve equivalent KRb12 cuboctahedra, edges with twenty-four equivalent RbK4Rb8 cuboctahedra, faces with six equivalent KRb12 cuboctahedra, and faces with twelve equivalent RbK4Rb8 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on KTm by Materials Project

KTm is alpha Samarium-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. K is bonded to six equivalent K and six equivalent Tm atoms to form KK6Tm6 cuboctahedra that share corners with eighteen equivalent KK6Tm6 cuboctahedra, edges with six equivalent KK6Tm6 cuboctahedra, edges with twelve equivalent TmK6Tm6 cuboctahedra, faces with eight equivalent KK6Tm6 cuboctahedra, and faces with twelve equivalent TmK6Tm6 cuboctahedra. All K–K bond lengths are 3.60 Å. All K–Tm bond lengths are 4.14 Å. Tm is bonded to six equivalent K and six equivalent Tm atoms to form TmK6Tm6 cuboctahedra that share corners with eighteen equivalent TmK6Tm6 cuboctahedra, edges with six equivalent TmK6Tm6 cuboctahedra, edges with twelve equivalent KK6Tm6 cuboctahedra, faces with eight equivalent TmK6Tm6 cuboctahedra, and faces with twelve equivalent KK6Tm6 cuboctahedra. All Tm–Tm bond lengths are 3.60 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on K8La(PSe4)4 by Materials Project

K8La(PSe4)4 crystallizes in the orthorhombic I222 space group. The structure is three-dimensional. there are three inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 8-coordinate geometry to eight Se+1.94- atoms. There are a spread of K–Se bond distances ranging from 3.29–3.63 Å. In the second K1+ site, K1+ is bonded to eight Se+1.94- atoms to form distorted KSe8 hexagonal bipyramids that share corners with four equivalent KSe8 hexagonal bipyramids, an edgeedge with one LaSe8 hexagonal bipyramid, and edges with four equivalent PSe4 tetrahedra. There are a spread of K–Se bond distances ranging from 3.45–3.94 Å. In the third K1+ site, K1+ is bonded in a 6-coordinate geometry to six Se+1.94- atoms. There are a spread of K–Se bond distances ranging from 3.47–3.72 Å. La3+ is bonded to eight Se+1.94- atoms to form distorted LaSe8 hexagonal bipyramids that share edges with two equivalent KSe8 hexagonal bipyramids and edges with four equivalent PSe4 tetrahedra. All La–Se bond lengths are 3.17 Å. P5+ is bonded to four Se+1.94- atoms to form PSe4 tetrahedra that share an edgeedge with one LaSe8 hexagonal bipyramid and edges with two equivalent KSe8 hexagonal bipyramids. There are a spread of P–Se bond distances ranging from 2.22–2.25 Å. There are four inequivalent Se+1.94- sites. In the first Se+1.94- site, Se+1.94- is bonded in a 1-coordinate geometry to four K1+ and one P5+ atom. In the second Se+1.94- site, Se+1.94- is bonded in a 6-coordinate geometry to five K1+ and one P5+ atom. In the third Se+1.94- site, Se+1.94- is bonded in a 5-coordinate geometry to three K1+, one La3+, and one P5+ atom. In the fourth Se+1.94- site, Se+1.94- is bonded in a 1-coordinate geometry to three equivalent K1+, one La3+, and one P5+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on K5SnAs3 by Materials Project

K5SnAs3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are five inequivalent K1+ sites. In the first K1+ site, K1+ is bonded to four As3- atoms to form distorted KAs4 tetrahedra that share corners with three equivalent SnAs4 tetrahedra, corners with five KAs4 tetrahedra, an edgeedge with one KAs4 tetrahedra, and an edgeedge with one SnAs4 tetrahedra. There are a spread of K–As bond distances ranging from 3.33–3.40 Å. In the second K1+ site, K1+ is bonded to four As3- atoms to form distorted KAs4 tetrahedra that share corners with three equivalent KAs4 tetrahedra, corners with five equivalent SnAs4 tetrahedra, and edges with two KAs4 tetrahedra. There are a spread of K–As bond distances ranging from 3.38–3.56 Å. In the third K1+ site, K1+ is bonded in a 3-coordinate geometry to four As3- atoms. There are a spread of K–As bond distances ranging from 3.43–3.92 Å. In the fourth K1+ site, K1+ is bonded in a distorted see-saw-like geometry to four As3- atoms. There are a spread of K–As bond distances ranging from 3.36–3.65 Å. In the fifth K1+ site, K1+ is bonded in a 3-coordinate geometry to three As3- atoms. There are a spread of K–As bond distances ranging from 3.34–3.58 Å. Sn4+ is bonded to four As3- atoms to form SnAs4 tetrahedra that share corners with eight KAs4 tetrahedra, an edgeedge with one KAs4 tetrahedra, and an edgeedge with one SnAs4 tetrahedra. There are a spread of Sn–As bond distances ranging from 2.67–2.77 Å. There are three inequivalent As3- sites. In the first As3- site, As3- is bonded in a 9-coordinate geometry to seven K1+ and one Sn4+ atom. In the second As3- site, As3- is bonded in a 7-coordinate geometry to five K1+ and two equivalent Sn4+ atoms. In the third As3- site, As3- is bonded in a 7-coordinate geometry to seven K1+ and one Sn4+ atom.

36 MATERIALS SCIENCE↗