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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on U4S2N4O21 by Materials Project

(U2SO10)4(N2)3(NO)2 crystallizes in the triclinic P1 space group. The structure is two-dimensional and consists of six ammonia molecules; two nitroxyl molecules; and one U2SO10 sheet oriented in the (1, -1, 0) direction. In the U2SO10 sheet, there are eight inequivalent U6+ sites. In the first U6+ site, U6+ is bonded to seven O2- atoms to form distorted UO7 pentagonal bipyramids that share corners with two equivalent UO7 pentagonal bipyramids, corners with two SO4 tetrahedra, and edges with two UO7 pentagonal bipyramids. There are a spread of U–O bond distances ranging from 1.81–2.50 Å. In the second U6+ site, U6+ is bonded to seven O2- atoms to form distorted UO7 pentagonal bipyramids that share corners with two equivalent UO7 pentagonal bipyramids, corners with two SO4 tetrahedra, and edges with two UO7 pentagonal bipyramids. There are a spread of U–O bond distances ranging from 1.81–2.49 Å. In the third U6+ site, U6+ is bonded to seven O2- atoms to form distorted UO7 pentagonal bipyramids that share corners with two equivalent UO7 pentagonal bipyramids, corners with two SO4 tetrahedra, and edges with two UO7 pentagonal bipyramids. There are a spread of U–O bond distances ranging from 1.81–2.48 Å. In the fourth U6+ site, U6+ is bonded to seven O2- atoms to form distorted UO7 pentagonal bipyramids that share corners with two equivalent UO7 pentagonal bipyramids, corners with two SO4 tetrahedra, and edges with two UO7 pentagonal bipyramids. There are a spread of U–O bond distances ranging from 1.81–2.48 Å. In the fifth U6+ site, U6+ is bonded to seven O2- atoms to form distorted UO7 pentagonal bipyramids that share corners with two equivalent UO7 pentagonal bipyramids, corners with two SO4 tetrahedra, and edges with two UO7 pentagonal bipyramids. There are a spread of U–O bond distances ranging from 1.80–2.50 Å. In the sixth U6+ site, U6+ is bonded to seven O2- atoms to form distorted UO7 pentagonal bipyramids that share corners with two equivalent UO7 pentagonal bipyramids, corners with two SO4 tetrahedra, and edges with two UO7 pentagonal bipyramids. There are a spread of U–O bond distances ranging from 1.80–2.50 Å. In the seventh U6+ site, U6+ is bonded to seven O2- atoms to form distorted UO7 pentagonal bipyramids that share corners with two equivalent UO7 pentagonal bipyramids, corners with two SO4 tetrahedra, and edges with two UO7 pentagonal bipyramids. There are a spread of U–O bond distances ranging from 1.80–2.50 Å. In the eighth U6+ site, U6+ is bonded to seven O2- atoms to form distorted UO7 pentagonal bipyramids that share corners with two equivalent UO7 pentagonal bipyramids, corners with two SO4 tetrahedra, and edges with two UO7 pentagonal bipyramids. There are a spread of U–O bond distances ranging from 1.80–2.50 Å. There are four inequivalent S2+ sites. In the first S2+ site, S2+ is bonded to four O2- atoms to form SO4 tetrahedra that share corners with four UO7 pentagonal bipyramids. There is one shorter (1.48 Å) and three longer (1.49 Å) S–O bond length. In the second S2+ site, S2+ is bonded to four O2- atoms to form SO4 tetrahedra that share corners with four UO7 pentagonal bipyramids. There is one shorter (1.48 Å) and three longer (1.49 Å) S–O bond length. In the third S2+ site, S2+ is bonded to four O2- atoms to form SO4 tetrahedra that share corners with four UO7 pentagonal bipyramids. There is two shorter (1.48 Å) and two longer (1.49 Å) S–O bond length. In the fourth S2+ site, S2+ is bonded to four O2- atoms to form SO4 tetrahedra that share corners with four UO7 pentagonal bipyramids. There are a spread of S–O bond distances ranging from 1.48–1.50 Å. There are forty inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one U6+ and one S2+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one U6+ and one S2+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one U6+ and one S2+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to one U6+ and one S2+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to one U6+ and one S2+ atom. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to one U6+ and one S2+ atom. In the seventh O2- site, O2- is bonded in a distorted single-bond geometry to one U6+ and one S2+ atom. In the eighth O2- site, O2- is bonded in a distorted single-bond geometry to one U6+ and one S2+ atom. In the ninth O2- site, O2- is bonded in a distorted trigonal planar geometry to three U6+ atoms. In the tenth O2- site, O2- is bonded in a distorted trigonal planar geometry to three U6+ atoms. In the eleventh O2- site, O2- is bonded in a distorted trigonal planar geometry to three U6+ atoms. In the twelfth O2- site, O2- is bonded in a distorted trigonal planar geometry to three U6+ atoms. In the thirteenth O2- site, O2- is bonded in a distorted single-bond geometry to one U6+ and one S2+ atom. In the fourteenth O2- site, O2- is bonded in a distorted single-bond geometry to one U6+ and one S2+ atom. In the fifteenth O2- site, O2- is bonded in a distorted single-bond geometry to one U6+ and one S2+ atom. In the sixteenth O2- site, O2- is bonded in a distorted single-bond geometry to one U6+ and one S2+ atom. In the seventeenth O2- site, O2- is bonded in a distorted single-bond geometry to one U6+ and one S2+ atom. In the eighteenth O2- site, O2- is bonded in a distorted single-bond geometry to one U6+ and one S2+ atom. In the nineteenth O2- site, O2- is bonded in a distorted single-bond geometry to one U6+ and one S2+ atom. In the twentieth O2- site, O2- is bonded in a distorted single-bond geometry to one U6+ and one S2+ atom. In the twenty-first O2- site, O2- is bonded in a distorted trigonal planar geometry to three U6+ atoms. In the twenty-second O2- site, O2- is bonded in a distorted trigonal planar geometry to three U6+ atoms. In the twenty-third O2- site, O2- is bonded in a distorted trigonal planar geometry to three U6+ atoms. In the twenty-fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to three U6+ atoms. In the twenty-fifth O2- site, O2- is bonded in a single-bond geometry to one U6+ atom. In the twenty-sixth O2- site, O2- is bonded in a single-bond geometry to one U6+ atom. In the twenty-seventh O2- site, O2- is bonded in a single-bond geometry to one U6+ atom. In the twenty-eighth O2- site, O2- is bonded in a single-bond geometry to one U6+ atom. In the twenty-ninth O2- site, O2- is bonded in a single-bond geometry to one U6+ atom. In the thirtieth O2- site, O2- is bonded in a single-bond geometry to one U6+ atom. In the thirty-first O2- site, O2- is bonded in a single-bond geometry to one U6+ atom. In the thirty-second O2- site, O2- is bonded in a single-bond geometry to one U6+ atom. In the thirty-third O2- site, O2- is bonded in a single-bond geometry to one U6+ atom. In the thirty-fourth O2- site, O2- is bonded in a single-bond geometry to one U6+ atom. In the thirty-fifth O2- site, O2- is bonded in a single-bond geometry to one U6+ atom. In the thirty-sixth O2- site, O2- is bonded in a single-bond geometry to one U6+ atom. In the thirty-seventh O2- site, O2- is bonded in a single-bond geometry to one U6+ atom. In the thirty-eighth O2- site, O2- is bonded in a single-bond geometry to one U6+ atom. In the thirty-ninth O2- site, O2- is bonded in a single-bond geometry to one U6+ atom. In the fortieth O2- site, O2- is bonded in a single-bond geometry to one U6+ atom.

36 MATERIALS SCIENCE↗
NASA NTRS1999

Layered double hydroxide stability. 2. Formation of Cr(III)-containing layered double hydroxides directly from solution

Solutions containing divalent metal [M(II) = Mg2+, Zn2+, Co2+, Ni2+, Mn2+] chlorides and CrCl3 6H2O were titrated with NaOH to yield, for M(II) = Zn, Co, and Ni, hydrotalcite-like layered double hydroxides (LDHs), [[M(II)]1-z[Cr(III)]z(OH)2][Cl]z yH2O, in a single step, without intermediate formation of chromium hydroxide. Analysis of the resultant titration curves yields solubility constants for these compounds. These are in the order Zn < Ni approximately Co, with a clear preference for formation of the phase with z = 1/3. With Mg2+ as chloride, titration gives a mixture of Cr(OH)3 and Mg(OH)2, but the metal sulfates give Mg2Cr(OH)6 1/2(SO4) by a two-step process. Titrimetric and spectroscopic evidence suggests short-range cation order in the one-step LDH systems.

Non-NASA Center↗
DOE OSTI2020

Materials Data on K2UH6C2SO13 by Materials Project

K2UC2H6SO13 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of K–O bond distances ranging from 2.70–3.21 Å. In the second K1+ site, K1+ is bonded in a 6-coordinate geometry to one H1+ and eight O2- atoms. The K–H bond length is 2.93 Å. There are a spread of K–O bond distances ranging from 2.69–3.20 Å. U4+ is bonded to seven O2- atoms to form distorted UO7 pentagonal bipyramids that share a cornercorner with one SO4 tetrahedra. There are a spread of U–O bond distances ranging from 1.80–2.49 Å. There are two inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a bent 120 degrees geometry to two O2- atoms. Both C–O bond lengths are 1.27 Å. In the second C4+ site, C4+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.26 Å) and one longer (1.27 Å) C–O bond length. There are six inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the third H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to one K1+ and one O2- atom. The H–O bond length is 0.99 Å. S6+ is bonded to four O2- atoms to form SO4 tetrahedra that share a cornercorner with one UO7 pentagonal bipyramid. There are a spread of S–O bond distances ranging from 1.47–1.56 Å. There are thirteen inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one U4+ and one C4+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one U4+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one U4+ and one C4+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to three K1+ and one S6+ atom. In the fifth O2- site, O2- is bonded in a water-like geometry to two K1+ and two H1+ atoms. In the sixth O2- site, O2- is bonded in a 2-coordinate geometry to one K1+, one U4+, and one S6+ atom. In the seventh O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent K1+ and one S6+ atom. In the eighth O2- site, O2- is bonded in a water-like geometry to two equivalent K1+ and two H1+ atoms. In the ninth O2- site, O2- is bonded in a distorted single-bond geometry to one U4+ and one C4+ atom. In the tenth O2- site, O2- is bonded in a water-like geometry to two K1+ and two H1+ atoms. In the eleventh O2- site, O2- is bonded in a distorted single-bond geometry to three K1+ and one S6+ atom. In the twelfth O2- site, O2- is bonded in a distorted single-bond geometry to one K1+, one U4+, and one C4+ atom. In the thirteenth O2- site, O2- is bonded in a single-bond geometry to one U4+ atom.

36 MATERIALS SCIENCE↗
NASA NTRS1990

Effect of ammonium sulfate, ammonium chloride and root-zone acidity on inorganic ion content of tobacco

Tobacco plants (Nicotiana tabacum L. cv NC82) were supplied with (NH4)2SO4 or NH4Cl at root-zone pH of 6.0 and 4.5 in hydroponic culture for 28 days. Dry matter accumulation, total N and C content, and leaf area and number were not affected by the NH4+ source or root-zone pH. Plants supplied with NH4Cl accumulated up to 1.2 mM Cl g DW-1, but accumulated 37% less inorganic H2PO4- and 47% less SO4(2-) than plants supplied with (NH4)2SO4. The large Cl- accumulation resulted in NH4Cl- supplied plants having a 31% higher inorganic anion (NO3-, H2, PO4-, SO4(2-), and Cl-) charge. This higher inorganic anion charge in the NH4Cl-supplied plants was balanced by a similar increase in K+ charge. Plants supplied with NH4Cl accumulated greater concentrations of Cl- in leaves (up to 5.1% of DW) than plants supplied with (NH4)2SO4 (less than -% DW). Despite the high Cl- concentration of leaves in NH4Cl supplied plants, these plants showed no symptoms of Cl- toxicity. This demonstrates that toxicity symptoms are not due solely to an interaction between high Cl- concentration in tissue and NH4+ nutrition. The increase in root-zone acidity to pH 4.5 from 6.0 did not induce toxicity symptoms.

NASA Program CELSS↗
DOE OSTI2020

Materials Data on RbUSO6F by Materials Project

RbUSO6F crystallizes in the orthorhombic Pca2_1 space group. The structure is three-dimensional. there are three inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Rb–O bond distances ranging from 2.97–3.35 Å. In the second Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to five O2- and one F1- atom. There are a spread of Rb–O bond distances ranging from 2.93–3.19 Å. The Rb–F bond length is 3.20 Å. In the third Rb1+ site, Rb1+ is bonded in a 12-coordinate geometry to seven O2- and two F1- atoms. There are a spread of Rb–O bond distances ranging from 2.99–3.34 Å. There are one shorter (3.18 Å) and one longer (3.23 Å) Rb–F bond lengths. There are three inequivalent U6+ sites. In the first U6+ site, U6+ is bonded to five O2- and two F1- atoms to form distorted UO5F2 pentagonal bipyramids that share corners with two UO5F2 pentagonal bipyramids and corners with three SO4 tetrahedra. There are a spread of U–O bond distances ranging from 1.80–2.41 Å. Both U–F bond lengths are 2.35 Å. In the second U6+ site, U6+ is bonded to five O2- and two F1- atoms to form distorted UO5F2 pentagonal bipyramids that share corners with two UO5F2 pentagonal bipyramids and corners with three SO4 tetrahedra. There are a spread of U–O bond distances ranging from 1.80–2.43 Å. Both U–F bond lengths are 2.34 Å. In the third U6+ site, U6+ is bonded to five O2- and two F1- atoms to form distorted UO5F2 pentagonal bipyramids that share corners with two UO5F2 pentagonal bipyramids and corners with three SO4 tetrahedra. There are a spread of U–O bond distances ranging from 1.80–2.44 Å. There are one shorter (2.34 Å) and one longer (2.35 Å) U–F bond lengths. There are three inequivalent S6+ sites. In the first S6+ site, S6+ is bonded to four O2- atoms to form SO4 tetrahedra that share corners with three UO5F2 pentagonal bipyramids. There is one shorter (1.46 Å) and three longer (1.50 Å) S–O bond length. In the second S6+ site, S6+ is bonded to four O2- atoms to form SO4 tetrahedra that share corners with three UO5F2 pentagonal bipyramids. There are a spread of S–O bond distances ranging from 1.46–1.51 Å. In the third S6+ site, S6+ is bonded to four O2- atoms to form SO4 tetrahedra that share corners with three UO5F2 pentagonal bipyramids. There is one shorter (1.46 Å) and three longer (1.50 Å) S–O bond length. There are eighteen inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Rb1+ and one U6+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one Rb1+ and one U6+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to one Rb1+, one U6+, and one S6+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one Rb1+ and one U6+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to two Rb1+ and one S6+ atom. In the sixth O2- site, O2- is bonded in a single-bond geometry to one Rb1+ and one U6+ atom. In the seventh O2- site, O2- is bonded in a 1-coordinate geometry to one Rb1+, one U6+, and one S6+ atom. In the eighth O2- site, O2- is bonded in a distorted single-bond geometry to one Rb1+ and one U6+ atom. In the ninth O2- site, O2- is bonded in a distorted single-bond geometry to two Rb1+ and one S6+ atom. In the tenth O2- site, O2- is bonded in a distorted single-bond geometry to one Rb1+, one U6+, and one S6+ atom. In the eleventh O2- site, O2- is bonded in a 1-coordinate geometry to one Rb1+, one U6+, and one S6+ atom. In the twelfth O2- site, O2- is bonded in a 1-coordinate geometry to one Rb1+, one U6+, and one S6+ atom. In the thirteenth O2- site, O2- is bonded in a distorted single-bond geometry to two Rb1+ and one S6+ atom. In the fourteenth O2- site, O2- is bonded in a single-bond geometry to one Rb1+ and one U6+ atom. In the fifteenth O2- site, O2- is bonded in a 1-coordinate geometry to one U6+ and one S6+ atom. In the sixteenth O2- site, O2- is bonded in a 1-coordinate geometry to one Rb1+, one U6+, and one S6+ atom. In the seventeenth O2- site, O2- is bonded in a distorted single-bond geometry to one Rb1+, one U6+, and one S6+ atom. In the eighteenth O2- site, O2- is bonded in a 1-coordinate geometry to one Rb1+, one U6+, and one S6+ atom. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Rb1+ and two U6+ atoms. In the second F1- site, F1- is bonded in a 2-coordinate geometry to one Rb1+ and two U6+ atoms. In the third F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Rb1+ and two U6+ atoms.

36 MATERIALS SCIENCE↗