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At least 901 records · Page 50

Materials Data on Pr2I2O by Materials Project

Pr2OI2 is Cyanogen Chloride-like structured and crystallizes in the tetragonal P4/mmm space group. The structure is zero-dimensional and consists of one Pr2OI2 cluster. Pr is bonded in a distorted linear geometry to one O and one I atom. The Pr–O bond length is 2.16 Å. The Pr–I bond length is 2.97 Å. O is bonded in a linear geometry to two equivalent Pr atoms. I is bonded in a single-bond geometry to one Pr atom.

36 MATERIALS SCIENCE↗

Mass-selected ion–molecule cluster beam apparatus for ultrafast photofragmentation studies

We describe an apparatus for investigating the excited-state dissociation dynamics of mass-selected ion–molecule clusters by mass-resolving and detecting photofragment-ions and neutrals, in coincidence, using an ultrafast laser operating at high repetition rates. The apparatus comprises a source that generates ion–molecule clusters, a time-of-flight spectrometer, and a mass filter that selects the desired anions, and a linear-plus-quadratic reflectron mass spectrometer that discriminates the fragment anions after the femtosecond laser excites the clusters. The fragment neutrals and anions are then captured by two channeltron detectors. The apparatus performance is tested by measuring the photofragments: I – , CF 3 I – , and neutrals from photoexcitation of the ion–molecule cluster CF 3 I·I – using femtosecond UV laser pulses with a wavelength of 266 nm. Here, the experimental results are compared with our ground state and excited state electronic structure calculations as well as the existing results and calculations, with particular attention to the generation mechanism of the anion fragments and dissociation channels of the ion–molecule cluster CF 3 I·I – in the charge-transfer excited state.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗

Materials Data on La2S2F by Materials Project

La2S2F is alpha Niobium phosphide-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is zero-dimensional and consists of one La2S2F cluster. La+2.50+ is bonded in a linear geometry to one S2- and one F1- atom. The La–S bond length is 2.36 Å. The La–F bond length is 2.43 Å. S2- is bonded in a single-bond geometry to one La+2.50+ atom. F1- is bonded in a linear geometry to two equivalent La+2.50+ atoms.

36 MATERIALS SCIENCE↗

Materials Data on Na2LiS2 by Materials Project

Na2LiS2 is alpha Niobium phosphide-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is zero-dimensional and consists of one Na2LiS2 cluster. Na1+ is bonded in a single-bond geometry to one S+1.50- atom. The Na–S bond length is 2.47 Å. Li1+ is bonded in a linear geometry to two equivalent S+1.50- atoms. Both Li–S bond lengths are 2.28 Å. S+1.50- is bonded in a linear geometry to one Na1+ and one Li1+ atom.

36 MATERIALS SCIENCE↗

Materials Data on Rb2LiS2 by Materials Project

Rb2LiS2 crystallizes in the tetragonal P4/mmm space group. The structure is zero-dimensional and consists of one Rb2LiS2 cluster. Rb1+ is bonded in a single-bond geometry to one S+1.50- atom. The Rb–S bond length is 2.91 Å. Li1+ is bonded in a linear geometry to two equivalent S+1.50- atoms. Both Li–S bond lengths are 2.30 Å. S+1.50- is bonded in a linear geometry to one Rb1+ and one Li1+ atom.

36 MATERIALS SCIENCE↗

Materials Data on K2LiTe2 by Materials Project

K2LiTe2 is alpha Po structured and crystallizes in the tetragonal P4/mmm space group. The structure is zero-dimensional and consists of one K2LiTe2 cluster. K1+ is bonded in a single-bond geometry to one Te+1.50- atom. The K–Te bond length is 3.07 Å. Li1+ is bonded in a linear geometry to two equivalent Te+1.50- atoms. Both Li–Te bond lengths are 2.60 Å. Te+1.50- is bonded in a linear geometry to one K1+ and one Li1+ atom.

36 MATERIALS SCIENCE↗

Materials Data on Y2ClO2 by Materials Project

Y2O2Cl is Cyanogen Chloride-like structured and crystallizes in the tetragonal P4/mmm space group. The structure is zero-dimensional and consists of one Y2O2Cl cluster. Y is bonded in a linear geometry to one O and one Cl atom. The Y–O bond length is 1.81 Å. The Y–Cl bond length is 2.83 Å. O is bonded in a single-bond geometry to one Y atom. Cl is bonded in a linear geometry to two equivalent Y atoms.

36 MATERIALS SCIENCE↗

Materials Data on Na2MgAs2 by Materials Project

Na2MgAs2 crystallizes in the tetragonal P4/mmm space group. The structure is zero-dimensional and consists of one Na2MgAs2 cluster. Na1+ is bonded in a single-bond geometry to one As2- atom. The Na–As bond length is 2.79 Å. Mg2+ is bonded in a linear geometry to two equivalent As2- atoms. Both Mg–As bond lengths are 2.50 Å. As2- is bonded in a linear geometry to one Na1+ and one Mg2+ atom.

36 MATERIALS SCIENCE↗

Materials Data on Pu2Br2O by Materials Project

Pu2OBr2 is Cyanogen Chloride-like structured and crystallizes in the tetragonal P4/mmm space group. The structure is zero-dimensional and consists of one Pu2OBr2 cluster. Pu is bonded in a linear geometry to one O and one Br atom. The Pu–O bond length is 2.05 Å. The Pu–Br bond length is 2.64 Å. O is bonded in a linear geometry to two equivalent Pu atoms. Br is bonded in a single-bond geometry to one Pu atom.

36 MATERIALS SCIENCE↗

Materials Data on Sr2HCl2 by Materials Project

Sr2HCl2 is alpha Niobium phosphide-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is zero-dimensional and consists of one Sr2HCl2 cluster. Sr is bonded in a linear geometry to one H and one Cl atom. The Sr–H bond length is 2.29 Å. The Sr–Cl bond length is 2.55 Å. H is bonded in a linear geometry to two equivalent Sr atoms. Cl is bonded in a single-bond geometry to one Sr atom.

36 MATERIALS SCIENCE↗

Materials Data on Sr2HBr2 by Materials Project

Sr2HBr2 crystallizes in the tetragonal P4/mmm space group. The structure is zero-dimensional and consists of one Sr2HBr2 cluster. Sr is bonded in a linear geometry to one H and one Br atom. The Sr–H bond length is 2.29 Å. The Sr–Br bond length is 2.71 Å. H is bonded in a linear geometry to two equivalent Sr atoms. Br is bonded in a single-bond geometry to one Sr atom.

36 MATERIALS SCIENCE↗

Materials Data on Sm2Cl2O by Materials Project

Sm2OCl2 crystallizes in the tetragonal P4/mmm space group. The structure is zero-dimensional and consists of one Sm2OCl2 cluster. Sm2+ is bonded in a linear geometry to one O2- and one Cl1- atom. The Sm–O bond length is 2.13 Å. The Sm–Cl bond length is 2.52 Å. O2- is bonded in a linear geometry to two equivalent Sm2+ atoms. Cl1- is bonded in a single-bond geometry to one Sm2+ atom.

36 MATERIALS SCIENCE↗

Materials Data on Sr2Br2F by Materials Project

Sr2Br2F is alpha Niobium phosphide-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is zero-dimensional and consists of one Sr2Br2F cluster. Sr is bonded in a linear geometry to one Br and one F atom. The Sr–Br bond length is 2.72 Å. The Sr–F bond length is 2.31 Å. Br is bonded in a single-bond geometry to one Sr atom. F is bonded in a linear geometry to two equivalent Sr atoms.

36 MATERIALS SCIENCE↗

Materials Data on Lu2Br2O by Materials Project

Lu2OBr2 is Cyanogen Chloride-like structured and crystallizes in the tetragonal P4/mmm space group. The structure is zero-dimensional and consists of one Lu2OBr2 cluster. Lu is bonded in a linear geometry to one O and one Br atom. The Lu–O bond length is 2.00 Å. The Lu–Br bond length is 2.55 Å. O is bonded in a linear geometry to two equivalent Lu atoms. Br is bonded in a single-bond geometry to one Lu atom.

36 MATERIALS SCIENCE↗

Materials Data on Eu2HCl2 by Materials Project

Eu2HCl2 is alpha Niobium phosphide-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is zero-dimensional and consists of one Eu2HCl2 cluster. Eu is bonded in a linear geometry to one H and one Cl atom. The Eu–H bond length is 2.35 Å. The Eu–Cl bond length is 2.53 Å. H is bonded in a linear geometry to two equivalent Eu atoms. Cl is bonded in a single-bond geometry to one Eu atom.

36 MATERIALS SCIENCE↗

Materials Data on Nd2Br2O by Materials Project

Nd2OBr2 crystallizes in the tetragonal P4/mmm space group. The structure is zero-dimensional and consists of one Nd2OBr2 cluster. Nd2+ is bonded in a linear geometry to one O2- and one Br1- atom. The Nd–O bond length is 2.15 Å. The Nd–Br bond length is 2.72 Å. O2- is bonded in a linear geometry to two equivalent Nd2+ atoms. Br1- is bonded in a single-bond geometry to one Nd2+ atom.

36 MATERIALS SCIENCE↗

Materials Data on Tl2SCl2 by Materials Project

Tl2SCl2 crystallizes in the tetragonal P4/mmm space group. The structure is zero-dimensional and consists of one Tl2SCl2 cluster. Tl2+ is bonded in a linear geometry to one S2- and one Cl1- atom. The Tl–S bond length is 2.50 Å. The Tl–Cl bond length is 2.51 Å. S2- is bonded in a linear geometry to two equivalent Tl2+ atoms. Cl1- is bonded in a single-bond geometry to one Tl2+ atom.

36 MATERIALS SCIENCE↗

Materials Data on Yb2Cl2F by Materials Project

Yb2Cl2F is alpha Niobium phosphide-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is zero-dimensional and consists of one Yb2Cl2F cluster. Yb is bonded in a linear geometry to one Cl and one F atom. The Yb–Cl bond length is 2.43 Å. The Yb–F bond length is 2.15 Å. Cl is bonded in a single-bond geometry to one Yb atom. F is bonded in a linear geometry to two equivalent Yb atoms.

36 MATERIALS SCIENCE↗