Materials Data on BC6BrNF5 by Materials Project
BCNBr(CF)5 crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of four 703-85-5 molecules and sixty fluoromethane molecules.
36 MATERIALS SCIENCE↗
SEARCH · Engineering Papers
Results for “CF”
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Materials Data on C18BrF13 by Materials Project
(C)4BrC(CF)13 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two bromomethane molecules, twenty-six fluoromethane molecules, and eight methane molecules.
36 MATERIALS SCIENCE↗
Materials Data on Si2BH18C31SO3F23 by Materials Project
B(C)4(CH3)6Si2SO3(CF)20CF3 is Ammonia-derived structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two boron molecules, two fluoroform molecules, forty fluoromethane molecules, eight methane molecules, twelve methane molecules, and two Si2SO3 clusters. In each Si2SO3 cluster, there are two inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded in a single-bond geometry to one O2- atom. The Si–O bond length is 1.84 Å. In the second Si4+ site, Si4+ is bonded in a single-bond geometry to one O2- atom. The Si–O bond length is 1.85 Å. S2- is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. There is one shorter (1.43 Å) and two longer (1.50 Å) S–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Si4+ and one S2- atom. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Si4+ and one S2- atom. In the third O2- site, O2- is bonded in a single-bond geometry to one S2- atom.
36 MATERIALS SCIENCE↗
Materials Data on Sn(C6F5)4 by Materials Project
Sn(C)4(CF)20 crystallizes in the tetragonal I4_1/a space group. The structure is zero-dimensional and consists of four 7440-31-5 molecules, eighty fluoromethane molecules, and sixteen methane molecules.
36 MATERIALS SCIENCE↗
Materials Data on C3IF2 by Materials Project
CI1(CF)2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of eight fluoromethane molecules and four iodomethane molecules.
36 MATERIALS SCIENCE↗
Materials Data on TbH8C21(O2F3)5 by Materials Project
TbC3H8O10(C)3(CF)15 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of thirty fluoromethane molecules, six methane molecules, and one TbC3H8O10 cluster. In the TbC3H8O10 cluster, Tb3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Tb–O bond distances ranging from 2.32–2.48 Å. There are three inequivalent C+1.14+ sites. In the first C+1.14+ site, C+1.14+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.27 Å) and one longer (1.28 Å) C–O bond length. In the second C+1.14+ site, C+1.14+ is bonded in a bent 120 degrees geometry to two O2- atoms. Both C–O bond lengths are 1.27 Å. In the third C+1.14+ site, C+1.14+ 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 eight inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a distorted single-bond geometry to two O2- atoms. There is one shorter (1.02 Å) and one longer (1.64 Å) H–O bond length. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.97 Å. In the third H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 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 O2- atom. The H–O bond length is 0.97 Å. In the seventh 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 eighth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted water-like geometry to one Tb3+ and two H1+ atoms. In the second O2- site, O2- is bonded in a water-like geometry to one Tb3+ and two H1+ atoms. In the third O2- site, O2- is bonded in a single-bond geometry to one C+1.14+ atom. In the fourth O2- site, O2- is bonded in a distorted water-like geometry to one Tb3+ and one C+1.14+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to one Tb3+ and one C+1.14+ atom. In the sixth O2- site, O2- is bonded in a distorted linear geometry to one Tb3+ and one C+1.14+ atom. In the seventh O2- site, O2- is bonded in a distorted water-like geometry to one Tb3+ and two H1+ atoms. In the eighth O2- site, O2- is bonded in a distorted water-like geometry to one Tb3+ and two H1+ atoms. In the ninth O2- site, O2- is bonded in a 1-coordinate geometry to one Tb3+ and one C+1.14+ atom. In the tenth O2- site, O2- is bonded in a distorted water-like geometry to one C+1.14+ and one H1+ atom.
36 MATERIALS SCIENCE↗
Materials Data on BC10XeF17 by Materials Project
XeC3F2B(CF3)4(CF)3 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of twelve fluoromethane molecules, four B(CF3)4 clusters, and four XeC3F2 clusters. In each B(CF3)4 cluster, B is bonded in a tetrahedral geometry to four C atoms. All B–C bond lengths are 1.65 Å. There are four inequivalent C sites. In the first C site, C is bonded to one B and three F atoms to form corner-sharing CBF3 tetrahedra. All C–F bond lengths are 1.38 Å. In the second C site, C is bonded to one B and three F atoms to form corner-sharing CBF3 tetrahedra. There is two shorter (1.38 Å) and one longer (1.39 Å) C–F bond length. In the third C site, C is bonded to one B and three F atoms to form corner-sharing CBF3 tetrahedra. There is two shorter (1.37 Å) and one longer (1.41 Å) C–F bond length. In the fourth C site, C is bonded to one B and three F atoms to form corner-sharing CBF3 tetrahedra. There are a spread of C–F bond distances ranging from 1.37–1.39 Å. There are eleven inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to one C atom. In the second F site, F is bonded in a single-bond geometry to one C atom. In the third F site, F is bonded in a single-bond geometry to one C atom. In the fourth F site, F is bonded in a single-bond geometry to one C atom. In the fifth F site, F is bonded in a single-bond geometry to one C atom. In the sixth F site, F is bonded in a single-bond geometry to one C atom. In the seventh F site, F is bonded in a single-bond geometry to one C atom. In the eighth F site, F is bonded in a single-bond geometry to one C atom. In the ninth F site, F is bonded in a single-bond geometry to one C atom. In the tenth F site, F is bonded in a single-bond geometry to one C atom. In the eleventh F site, F is bonded in a single-bond geometry to one C atom. In each XeC3F2 cluster, Xe is bonded in a single-bond geometry to one C atom. The Xe–C bond length is 2.13 Å. There are three inequivalent C sites. In the first C site, C is bonded in a single-bond geometry to one C and one F atom. The C–C bond length is 1.39 Å. The C–F bond length is 1.34 Å. In the second C site, C is bonded in a trigonal planar geometry to one Xe and two C atoms. The C–C bond length is 1.39 Å. In the third C site, C is bonded in a distorted single-bond geometry to one C and one F atom. The C–F bond length is 1.34 Å. There are two inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to one C atom. In the second F site, F is bonded in a single-bond geometry to one C atom.
36 MATERIALS SCIENCE↗
Materials Data on C12SF10 by Materials Project
C2S(CF)10 crystallizes in the tetragonal P4_12_12 space group. The structure is zero-dimensional and consists of four dimethyl sulfide molecules and forty fluoromethane molecules.
36 MATERIALS SCIENCE↗
Materials Data on NdH10C21O11F15 by Materials Project
NdC3H8O10(C)3(CF)15H2O crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of thirty fluoromethane molecules, six methane molecules, two water molecules, and one NdC3H8O10 cluster. In the NdC3H8O10 cluster, Nd3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Nd–O bond distances ranging from 2.40–2.71 Å. There are three inequivalent C+1.14+ sites. In the first C+1.14+ site, C+1.14+ is bonded in a bent 120 degrees geometry to two O2- atoms. Both C–O bond lengths are 1.27 Å. In the second C+1.14+ site, C+1.14+ is bonded in a bent 120 degrees geometry to two O2- atoms. Both C–O bond lengths are 1.27 Å. In the third C+1.14+ site, C+1.14+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.26 Å) and one longer (1.28 Å) C–O bond length. There are eight 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 0.97 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. In the third H1+ site, H1+ is bonded in a distorted single-bond geometry to one O2- atom. The H–O bond length is 1.00 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 1.01 Å. In the sixth 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 seventh 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 eighth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded in a water-like geometry to one Nd3+ and two H1+ atoms. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one C+1.14+ atom. In the third O2- site, O2- is bonded in a water-like geometry to one Nd3+ and two H1+ atoms. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to one Nd3+ and one C+1.14+ atom. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to one Nd3+ and one C+1.14+ atom. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to one C+1.14+ atom. In the seventh O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Nd3+ and one C+1.14+ atom. In the eighth O2- site, O2- is bonded in a distorted water-like geometry to one Nd3+ and two H1+ atoms. In the ninth O2- site, O2- is bonded in a distorted single-bond geometry to one Nd3+ and one C+1.14+ atom. In the tenth O2- site, O2- is bonded in a water-like geometry to one Nd3+ and two H1+ atoms.
36 MATERIALS SCIENCE↗
Materials Data on PC18F17 by Materials Project
(C)3(CF)15PF2 crystallizes in the orthorhombic Pbcn space group. The structure is zero-dimensional and consists of four difluorophosphine molecules, sixty fluoromethane molecules, and twelve methane molecules.
36 MATERIALS SCIENCE↗
Materials Data on BC12ClF10 by Materials Project
(C)2BCl(CF)10 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four chloroborane molecules, forty fluoromethane molecules, and eight methane molecules.
36 MATERIALS SCIENCE↗
Materials Data on TeC12(ClF5)2 by Materials Project
Te(CCl)2(CF)10 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of forty fluoromethane molecules and four schembl4020522 molecules.
36 MATERIALS SCIENCE↗
Materials Data on AsC18F17 by Materials Project
C3AsF2(CF)15 crystallizes in the orthorhombic Pbcn space group. The structure is zero-dimensional and consists of sixty fluoromethane molecules and four C3AsF2 clusters. In each C3AsF2 cluster, there are two inequivalent C+1.11+ sites. In the first C+1.11+ site, C+1.11+ is bonded in a single-bond geometry to one As3- atom. The C–As bond length is 1.94 Å. In the second C+1.11+ site, C+1.11+ is bonded in a single-bond geometry to one As3- atom. The C–As bond length is 1.93 Å. As3- is bonded in a trigonal bipyramidal geometry to three C+1.11+ and two equivalent F1- atoms. Both As–F bond lengths are 1.83 Å. F1- is bonded in a single-bond geometry to one As3- atom.
36 MATERIALS SCIENCE↗
Materials Data on FeC7(O2F)2 by Materials Project
Fe(CO)4C(CF)2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of sixteen fluoromethane molecules, eight methane molecules, and eight Fe(CO)4 clusters. In four of the Fe(CO)4 clusters, Fe3+ is bonded in a distorted rectangular see-saw-like geometry to four C1+ atoms. There is one shorter (1.80 Å) and three longer (1.82 Å) Fe–C bond length. There are four inequivalent C1+ sites. In the first C1+ site, C1+ is bonded in a distorted linear geometry to one Fe3+ and one O2- atom. The C–O bond length is 1.15 Å. In the second C1+ site, C1+ is bonded in a distorted single-bond geometry to one Fe3+ and one O2- atom. The C–O bond length is 1.15 Å. In the third C1+ site, C1+ is bonded in a distorted single-bond geometry to one Fe3+ and one O2- atom. The C–O bond length is 1.15 Å. In the fourth C1+ site, C1+ is bonded in a distorted single-bond geometry to one Fe3+ and one O2- atom. The C–O bond length is 1.16 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one C1+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one C1+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one C1+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one C1+ atom. In four of the Fe(CO)4 clusters, Fe3+ is bonded in a distorted rectangular see-saw-like geometry to four C1+ atoms. There is one shorter (1.80 Å) and three longer (1.82 Å) Fe–C bond length. There are four inequivalent C1+ sites. In the first C1+ site, C1+ is bonded in a distorted linear geometry to one Fe3+ and one O2- atom. The C–O bond length is 1.15 Å. In the second C1+ site, C1+ is bonded in a distorted single-bond geometry to one Fe3+ and one O2- atom. The C–O bond length is 1.15 Å. In the third C1+ site, C1+ is bonded in a distorted single-bond geometry to one Fe3+ and one O2- atom. The C–O bond length is 1.15 Å. In the fourth C1+ site, C1+ is bonded in a distorted single-bond geometry to one Fe3+ and one O2- atom. The C–O bond length is 1.16 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one C1+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one C1+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one C1+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one C1+ atom.
36 MATERIALS SCIENCE↗
Materials Data on BC6XeF11 by Materials Project
XeC3F4BF4(CF)3 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of twelve fluoromethane molecules, four BF4 clusters, and four XeC3F4 clusters. In each BF4 cluster, B is bonded in a tetrahedral geometry to four F atoms. There are a spread of B–F bond distances ranging from 1.40–1.45 Å. There are four inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to one B atom. In the second F site, F is bonded in a single-bond geometry to one B atom. In the third F site, F is bonded in a single-bond geometry to one B atom. In the fourth F site, F is bonded in a single-bond geometry to one B atom. In each XeC3F4 cluster, Xe is bonded in a distorted linear geometry to one C and two F atoms. The Xe–C bond length is 2.13 Å. There are one shorter (2.03 Å) and one longer (2.05 Å) Xe–F bond lengths. There are three inequivalent C sites. In the first C site, C is bonded in a distorted single-bond geometry to one C and one F atom. The C–C bond length is 1.40 Å. The C–F bond length is 1.33 Å. In the second C site, C is bonded in a trigonal planar geometry to one Xe and two C atoms. The C–C bond length is 1.40 Å. In the third C site, C is bonded in a single-bond geometry to one C and one F atom. The C–F bond length is 1.33 Å. There are four inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to one Xe atom. In the second F site, F is bonded in a single-bond geometry to one C atom. In the third F site, F is bonded in a single-bond geometry to one C atom. In the fourth F site, F is bonded in a single-bond geometry to one Xe atom.
36 MATERIALS SCIENCE↗
Materials Data on TeC12(BrF5)2 by Materials Project
(CF)4C8Te(BrF3)2 crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of sixteen fluoromethane molecules and two C8Te(BrF3)2 ribbons oriented in the (1, 0, 0) direction. In each C8Te(BrF3)2 ribbon, there are eight inequivalent C+1.17+ sites. In the first C+1.17+ site, C+1.17+ is bonded in a single-bond geometry to one F1- atom. The C–F bond length is 1.35 Å. In the second C+1.17+ site, C+1.17+ is bonded in a single-bond geometry to one F1- atom. The C–F bond length is 1.35 Å. In the third C+1.17+ site, C+1.17+ is bonded in a single-bond geometry to one Te2- atom. The C–Te bond length is 2.14 Å. In the fourth C+1.17+ site, C+1.17+ is bonded in a single-bond geometry to one F1- atom. The C–F bond length is 1.35 Å. In the fifth C+1.17+ site, C+1.17+ is bonded in a single-bond geometry to one Te2- atom. The C–Te bond length is 2.16 Å. In the sixth C+1.17+ site, C+1.17+ is bonded in a single-bond geometry to one F1- atom. The C–F bond length is 1.34 Å. In the seventh C+1.17+ site, C+1.17+ is bonded in a single-bond geometry to one F1- atom. The C–F bond length is 1.35 Å. In the eighth C+1.17+ site, C+1.17+ is bonded in a single-bond geometry to one F1- atom. The C–F bond length is 1.34 Å. Te2- is bonded in a 4-coordinate geometry to two C+1.17+ and four Br1- atoms. There are a spread of Te–Br bond distances ranging from 2.69–3.84 Å. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 1-coordinate geometry to two equivalent Te2- and four F1- atoms. There are a spread of Br–F bond distances ranging from 3.21–3.56 Å. In the second Br1- site, Br1- is bonded in a 1-coordinate geometry to two equivalent Te2- and four F1- atoms. There are a spread of Br–F bond distances ranging from 3.22–3.55 Å. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one C+1.17+ and one Br1- atom. In the second F1- site, F1- is bonded in a single-bond geometry to one C+1.17+ and two Br1- atoms. In the third F1- site, F1- is bonded in a single-bond geometry to one C+1.17+ and one Br1- atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one C+1.17+ and one Br1- atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one C+1.17+ and one Br1- atom. In the sixth F1- site, F1- is bonded in a single-bond geometry to one C+1.17+ and two Br1- atoms.
36 MATERIALS SCIENCE↗
Modernization of PLC-Based Control Systems at SNS
When the SNS site was built around 20 years ago, the Conventional Facilities (CF) control systems were de-signed using 2 communication protocols to allow pro-grammable logic controllers (PLCs) to interface with motors, variable frequency drives (VFDs), and remote input and output (I/O) devices. The protocol chosen to control motors and VFDs is DeviceNet, a CANbus-based protocol developed by Allen-Bradley, a subsidiary of Rockwell Automation. The protocol chosen to communi-cate with remote I/O is ControlNet, another protocol developed by Allen-Bradley. Both of these protocols are obsolete and present reliability and maintainability is-sues, particularly DeviceNet. As the Control Systems Section at SNS is working to modernize control systems throughout the machine, a major goal for PLC-based systems is to remove the obsolete communication proto-cols in favor of standard, ubiquitous Ethernet. To this end, any new VFDs installed use Ethernet communica-tion. Many VFDs are currently being replaced in the Central Utilities Building (CUB) and the Central Exhaust Facility (CEF) and are being removed from DeviceNet in favor of Ethernet communication. Planning is underway to retrofit Eaton Intelligent Technology motor control centers (MCCs) in the Target Building to remove particu-larly troublesome DeviceNet adaptors and replace them with Ethernet adaptors for each motor starter. The Con-trolNet network in the CUB has been demolished, with I/O drops integrated into a local Ethernet network, im-proving sustainability and maintainability.
Beaushaw, Isaiah [ORNL]↗
Application of Gaussian Bayes classifier to differentiate chlorine-based chemical agents
The Portable Isotopic Neutron Spectroscopy (PINS) is a commercialized system developed by Idaho National Laboratory (INL) to examine chemical warfare agents (CWA) non-destructively, utilizing Prompt Gamma Neutron Activation Analysis (PGNAA) techniques. The PINS system takes advantage of a high-resolution gamma-ray spectrum from a mechanically-cooled high-purity germanium (HPGe) detector. One of the difficult technical challenges is to discriminate the chlorine-based chemical agents. Especially, CN, CNB, CNS and CG have similar chemical compositions to make it hard to discriminate them with a higher confidence. Current identification algorithms for PINS systems with 252-Cf sources have been improved and updated continuously as more field data became available, and new algorithms was studied to complement the current algorithms by adopting the Gaussian Bayes classifier. These new algorithms were intended to be applied to a subset of chlorine-based chemical agents, and their main goal is discriminate CN, CNB, CNS and CG with their ratios of the chlorine neutron inelastic 1763keV peak to the chlorine thermal neutron capture 1959keV peak, which is referred to as the “Cl i/c” or “clic” ratio in this study. The Cl i/c ratios were assumed to follow Gaussian distributions with the means and the standard deviations unique to their corresponding chemical agents. The prior probabilities of these four chemical agents were optimized with a collection of field data to achieve the best performance in terms of precision or positive predictive value (PPV). Finally, their posterior probabilities as functions of the Cl i/c ratio were implemented in the current version of PINS analysis software in order to be tested with more field data.
38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗