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DOE OSTI2020

Materials Data on HoAl by Materials Project

HoAl crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded in a 2-coordinate geometry to eight Al atoms. There are a spread of Ho–Al bond distances ranging from 3.05–3.38 Å. In the second Ho site, Ho is bonded in a 6-coordinate geometry to eight Al atoms. There are a spread of Ho–Al bond distances ranging from 3.05–3.53 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded to eight Ho and four Al atoms to form a mixture of distorted corner, edge, and face-sharing AlHo8Al4 cuboctahedra. There are two shorter (2.72 Å) and two longer (2.81 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a 10-coordinate geometry to eight Ho and two equivalent Al atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on HoAl3 by Materials Project

HoAl3 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded to twelve Al atoms to form HoAl12 cuboctahedra that share corners with six equivalent HoAl12 cuboctahedra, edges with six equivalent AlHo4Al8 cuboctahedra, faces with six equivalent AlHo4Al8 cuboctahedra, and faces with eight equivalent HoAl12 cuboctahedra. There are six shorter (3.06 Å) and six longer (3.08 Å) Ho–Al bond lengths. In the second Ho site, Ho is bonded to twelve Al atoms to form HoAl12 cuboctahedra that share corners with six equivalent AlHo4Al8 cuboctahedra, corners with nine equivalent HoAl12 cuboctahedra, edges with six equivalent AlHo4Al8 cuboctahedra, faces with three equivalent AlHo4Al8 cuboctahedra, and faces with seven HoAl12 cuboctahedra. There are a spread of Ho–Al bond distances ranging from 3.02–3.09 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 10-coordinate geometry to four Ho and six Al atoms. There are a spread of Al–Al bond distances ranging from 2.73–2.88 Å. In the second Al site, Al is bonded to four Ho and eight Al atoms to form distorted AlHo4Al8 cuboctahedra that share corners with four equivalent HoAl12 cuboctahedra, corners with six equivalent AlHo4Al8 cuboctahedra, edges with four equivalent AlHo4Al8 cuboctahedra, edges with six HoAl12 cuboctahedra, faces with four HoAl12 cuboctahedra, and faces with four equivalent AlHo4Al8 cuboctahedra. All Al–Al bond lengths are 3.08 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ho2Hf2O5 by Materials Project

Ho2Hf2O5 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded in a distorted body-centered cubic geometry to eight equivalent O atoms. All Ho–O bond lengths are 2.82 Å. In the second Ho site, Ho is bonded to twelve O atoms to form HoO12 cuboctahedra that share corners with four equivalent HoO12 cuboctahedra, faces with four equivalent HoO12 cuboctahedra, and faces with eight equivalent HfO5 square pyramids. There are eight shorter (2.71 Å) and four longer (2.90 Å) Ho–O bond lengths. Hf is bonded to five O atoms to form HfO5 square pyramids that share corners with five equivalent HfO5 square pyramids and faces with four equivalent HoO12 cuboctahedra. There are four shorter (2.07 Å) and one longer (2.08 Å) Hf–O bond lengths. There are two inequivalent O sites. In the first O site, O is bonded to four Ho and two equivalent Hf atoms to form a mixture of distorted edge, face, and corner-sharing OHo4Hf2 octahedra. The corner-sharing octahedra tilt angles range from 0–65°. In the second O site, O is bonded in a linear geometry to four equivalent Ho and two equivalent Hf atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ho5Ir3 by Materials Project

Ho5Ir3 crystallizes in the tetragonal P4/ncc space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded to five Ir atoms to form distorted HoIr5 trigonal bipyramids that share corners with four equivalent HoIr4 tetrahedra, corners with eleven equivalent HoIr5 trigonal bipyramids, an edgeedge with one HoIr4 tetrahedra, edges with six equivalent HoIr5 trigonal bipyramids, and faces with two equivalent HoIr5 trigonal bipyramids. There are a spread of Ho–Ir bond distances ranging from 2.88–3.12 Å. In the second Ho site, Ho is bonded to four equivalent Ir atoms to form HoIr4 tetrahedra that share corners with sixteen equivalent HoIr5 trigonal bipyramids, edges with two equivalent HoIr4 tetrahedra, and edges with four equivalent HoIr5 trigonal bipyramids. All Ho–Ir bond lengths are 2.84 Å. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 8-coordinate geometry to eight Ho atoms. In the second Ir site, Ir is bonded in a 8-coordinate geometry to eight equivalent Ho atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ho2Fe17C2 by Materials Project

Ho2Fe17C2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Ho is bonded in a distorted bent 120 degrees geometry to nine Fe and two equivalent C atoms. There are a spread of Ho–Fe bond distances ranging from 3.05–3.35 Å. Both Ho–C bond lengths are 2.51 Å. There are seven inequivalent Fe sites. In the first Fe site, Fe is bonded in a 2-coordinate geometry to one Ho and thirteen Fe atoms. There are a spread of Fe–Fe bond distances ranging from 2.40–2.73 Å. In the second Fe site, Fe is bonded to three equivalent Ho and nine Fe atoms to form FeHo3Fe9 cuboctahedra that share corners with nine FeHo3Fe9 cuboctahedra, corners with four equivalent CHo2Fe4 octahedra, edges with four FeHo3Fe9 cuboctahedra, faces with four FeHo3Fe9 cuboctahedra, and faces with two equivalent CHo2Fe4 octahedra. The corner-sharing octahedra tilt angles range from 63–69°. There are a spread of Fe–Fe bond distances ranging from 2.47–2.63 Å. In the third Fe site, Fe is bonded in a single-bond geometry to five Fe and one C atom. There are two shorter (2.47 Å) and one longer (2.56 Å) Fe–Fe bond lengths. The Fe–C bond length is 1.91 Å. In the fourth Fe site, Fe is bonded in a 12-coordinate geometry to two equivalent Ho and ten Fe atoms. There are two shorter (2.43 Å) and two longer (2.46 Å) Fe–Fe bond lengths. In the fifth Fe site, Fe is bonded in a single-bond geometry to six Fe and one C atom. Both Fe–Fe bond lengths are 2.43 Å. The Fe–C bond length is 1.86 Å. In the sixth Fe site, Fe is bonded to two equivalent Ho and ten Fe atoms to form distorted FeHo2Fe10 cuboctahedra that share corners with ten FeHo3Fe9 cuboctahedra, edges with two equivalent FeHo3Fe9 cuboctahedra, faces with six FeHo3Fe9 cuboctahedra, and faces with four equivalent CHo2Fe4 octahedra. In the seventh Fe site, Fe is bonded to two equivalent Ho and ten Fe atoms to form FeHo2Fe10 cuboctahedra that share corners with six FeHo3Fe9 cuboctahedra, corners with two equivalent CHo2Fe4 octahedra, edges with two equivalent FeHo3Fe9 cuboctahedra, faces with six FeHo3Fe9 cuboctahedra, and faces with two equivalent CHo2Fe4 octahedra. The corner-sharing octahedral tilt angles are 45°. C is bonded to two equivalent Ho and four Fe atoms to form CHo2Fe4 octahedra that share corners with six FeHo3Fe9 cuboctahedra, corners with two equivalent CHo2Fe4 octahedra, and faces with six FeHo2Fe10 cuboctahedra. The corner-sharing octahedral tilt angles are 62°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ho5Ga3 by Materials Project

Ho5Ga3 crystallizes in the tetragonal P4/ncc space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded to five Ga atoms to form a mixture of distorted edge, face, and corner-sharing HoGa5 square pyramids. There are four shorter (3.02 Å) and one longer (3.29 Å) Ho–Ga bond lengths. In the second Ho site, Ho is bonded to five Ga atoms to form a mixture of distorted edge, face, and corner-sharing HoGa5 trigonal bipyramids. There are a spread of Ho–Ga bond distances ranging from 3.03–3.20 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to eight Ho and one Ga atom. The Ga–Ga bond length is 2.64 Å. In the second Ga site, Ga is bonded in a 9-coordinate geometry to nine Ho atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ho3(Si3Pd10)2 by Materials Project

Ho3(Pd10Si3)2 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded in a distorted tetrahedral geometry to four equivalent Pd atoms. All Ho–Pd bond lengths are 2.83 Å. In the second Ho site, Ho is bonded in a cuboctahedral geometry to twelve equivalent Pd atoms. All Ho–Pd bond lengths are 3.00 Å. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded to one Ho and three equivalent Si atoms to form a mixture of corner and edge-sharing PdHoSi3 tetrahedra. All Pd–Si bond lengths are 2.48 Å. In the second Pd site, Pd is bonded in a 2-coordinate geometry to one Ho and two equivalent Si atoms. Both Pd–Si bond lengths are 2.43 Å. Si is bonded in a 8-coordinate geometry to eight Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ho2ReC2 by Materials Project

Ho2ReC2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded in a distorted rectangular see-saw-like geometry to four C atoms. There are a spread of Ho–C bond distances ranging from 2.51–2.66 Å. In the second Ho site, Ho is bonded to five C atoms to form a mixture of edge and corner-sharing HoC5 square pyramids. There are a spread of Ho–C bond distances ranging from 2.48–2.56 Å. Re is bonded in a distorted trigonal planar geometry to three C atoms. There are a spread of Re–C bond distances ranging from 1.94–2.05 Å. There are two inequivalent C sites. In the first C site, C is bonded to five Ho and one Re atom to form a mixture of edge and corner-sharing CHo5Re octahedra. The corner-sharing octahedra tilt angles range from 2–38°. In the second C site, C is bonded to four Ho and two equivalent Re atoms to form a mixture of edge and corner-sharing CHo4Re2 octahedra. The corner-sharing octahedra tilt angles range from 12–38°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ho2(B2Rh3)3 by Materials Project

Ho2(Rh3B2)3 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Ho is bonded in a 12-coordinate geometry to one Ho, twelve Rh, and six equivalent B atoms. The Ho–Ho bond length is 3.50 Å. There are six shorter (3.01 Å) and six longer (3.30 Å) Ho–Rh bond lengths. All Ho–B bond lengths are 3.24 Å. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 4-coordinate geometry to two equivalent Ho and four B atoms. There are two shorter (2.14 Å) and two longer (2.16 Å) Rh–B bond lengths. In the second Rh site, Rh is bonded in a distorted square co-planar geometry to four equivalent Ho and four equivalent B atoms. All Rh–B bond lengths are 2.16 Å. There are two inequivalent B sites. In the first B site, B is bonded to six equivalent Rh atoms to form distorted edge-sharing BRh6 pentagonal pyramids. In the second B site, B is bonded in a 6-coordinate geometry to three equivalent Ho and six Rh atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ho3Al2(Ni3H4)2 by Materials Project

Ho3Al2(Ni3H4)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded in a 4-coordinate geometry to four equivalent H atoms. All Ho–H bond lengths are 2.11 Å. In the second Ho site, Ho is bonded in a 5-coordinate geometry to five H atoms. There are one shorter (2.10 Å) and four longer (2.11 Å) Ho–H bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a distorted bent 120 degrees geometry to two equivalent Al and two equivalent H atoms. Both Ni–Al bond lengths are 2.44 Å. Both Ni–H bond lengths are 1.65 Å. In the second Ni site, Ni is bonded in a 2-coordinate geometry to two equivalent Al and three H atoms. Both Ni–Al bond lengths are 2.56 Å. There are a spread of Ni–H bond distances ranging from 1.68–2.02 Å. Al is bonded in a distorted linear geometry to six Ni and two equivalent H atoms. Both Al–H bond lengths are 1.99 Å. There are four inequivalent H sites. In the first H site, H is bonded to three Ho and one Al atom to form HHo3Al tetrahedra that share corners with two equivalent HHo2Ni4 octahedra, corners with four equivalent HHo3Al tetrahedra, and edges with three equivalent HHo3Al tetrahedra. The corner-sharing octahedral tilt angles are 49°. In the second H site, H is bonded in a 4-coordinate geometry to four Ni atoms. In the third H site, H is bonded to four equivalent Ni atoms to form edge-sharing HNi4 tetrahedra. In the fourth H site, H is bonded to two equivalent Ho and four equivalent Ni atoms to form HHo2Ni4 octahedra that share corners with eight equivalent HHo3Al tetrahedra and edges with two equivalent HNi4 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pr4Ho2Mn23 by Materials Project

Ho2Pr4Mn23 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. Ho is bonded in a 12-coordinate geometry to twelve Mn atoms. There are a spread of Ho–Mn bond distances ranging from 2.89–3.11 Å. There are two inequivalent Pr sites. In the first Pr site, Pr is bonded in a 12-coordinate geometry to twelve Mn atoms. There are a spread of Pr–Mn bond distances ranging from 2.99–3.13 Å. In the second Pr site, Pr is bonded in a 12-coordinate geometry to twelve Mn atoms. There are a spread of Pr–Mn bond distances ranging from 2.98–3.15 Å. There are ten inequivalent Mn sites. In the first Mn site, Mn is bonded to two equivalent Ho, two equivalent Pr, and eight Mn atoms to form MnPr2Ho2Mn8 cuboctahedra that share corners with twelve MnPr2HoMn9 cuboctahedra and faces with fourteen MnPr3Mn9 cuboctahedra. There are a spread of Mn–Mn bond distances ranging from 2.40–2.64 Å. In the second Mn site, Mn is bonded in a distorted q6 geometry to two equivalent Ho, one Pr, and nine Mn atoms. There are a spread of Mn–Mn bond distances ranging from 2.38–2.63 Å. In the third Mn site, Mn is bonded to three Pr and nine Mn atoms to form MnPr3Mn9 cuboctahedra that share corners with eight MnPr2HoMn9 cuboctahedra and faces with eleven MnPr2Ho2Mn8 cuboctahedra. There are a spread of Mn–Mn bond distances ranging from 2.43–2.63 Å. In the fourth Mn site, Mn is bonded to one Ho, two Pr, and nine Mn atoms to form a mixture of distorted corner and face-sharing MnPr2HoMn9 cuboctahedra. There are a spread of Mn–Mn bond distances ranging from 2.44–2.61 Å. In the fifth Mn site, Mn is bonded in a body-centered cubic geometry to eight Mn atoms. There are a spread of Mn–Mn bond distances ranging from 2.56–2.60 Å. In the sixth Mn site, Mn is bonded in a 10-coordinate geometry to two equivalent Ho, one Pr, and ten Mn atoms. There are a spread of Mn–Mn bond distances ranging from 2.58–2.99 Å. In the seventh Mn site, Mn is bonded in a 10-coordinate geometry to three Pr and ten Mn atoms. There are a spread of Mn–Mn bond distances ranging from 2.67–3.01 Å. In the eighth Mn site, Mn is bonded in a 10-coordinate geometry to one Ho, two Pr, and ten Mn atoms. There are a spread of Mn–Mn bond distances ranging from 2.62–2.94 Å. In the ninth Mn site, Mn is bonded to one Ho, three Pr, and eight Mn atoms to form MnPr3HoMn8 cuboctahedra that share corners with ten MnPr3Mn9 cuboctahedra and faces with fourteen MnPr2Ho2Mn8 cuboctahedra. In the tenth Mn site, Mn is bonded to two equivalent Ho, two equivalent Pr, and eight Mn atoms to form MnPr2Ho2Mn8 cuboctahedra that share corners with eight MnPr2Ho2Mn8 cuboctahedra and faces with fourteen MnPr3Mn9 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on HoSi3 by Materials Project

HoSi3 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded in a 12-coordinate geometry to twelve Si atoms. There are a spread of Ho–Si bond distances ranging from 2.99–3.25 Å. In the second Ho site, Ho is bonded in a 12-coordinate geometry to twelve Si atoms. There are four shorter (2.96 Å) and eight longer (3.01 Å) Ho–Si bond lengths. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to four Ho and five Si atoms. There are one shorter (2.48 Å) and four longer (2.57 Å) Si–Si bond lengths. In the second Si site, Si is bonded in a 9-coordinate geometry to four Ho and five Si atoms. There are one shorter (2.45 Å) and two longer (2.68 Å) Si–Si bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ho2(Al3Pd)3 by Materials Project

Ho2(PdAl3)3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ho is bonded in a 11-coordinate geometry to six Pd and eleven Al atoms. There are two shorter (3.44 Å) and four longer (3.47 Å) Ho–Pd bond lengths. There are a spread of Ho–Al bond distances ranging from 3.05–3.19 Å. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 8-coordinate geometry to four equivalent Ho and eight Al atoms. There are a spread of Pd–Al bond distances ranging from 2.56–2.66 Å. In the second Pd site, Pd is bonded in a 8-coordinate geometry to four equivalent Ho and eight Al atoms. There are a spread of Pd–Al bond distances ranging from 2.55–2.65 Å. There are four inequivalent Al sites. In the first Al site, Al is bonded in a 2-coordinate geometry to two equivalent Ho and two equivalent Pd atoms. In the second Al site, Al is bonded in a 3-coordinate geometry to three equivalent Ho, three Pd, and one Al atom. The Al–Al bond length is 2.86 Å. In the third Al site, Al is bonded in a 3-coordinate geometry to two equivalent Ho, three Pd, and five Al atoms. There are one shorter (2.80 Å) and two longer (2.84 Å) Al–Al bond lengths. In the fourth Al site, Al is bonded in a 2-coordinate geometry to two equivalent Ho, two equivalent Pd, and two equivalent Al atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ho2Fe17C by Materials Project

Ho2Fe17C crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Ho is bonded in a distorted single-bond geometry to fourteen Fe and one C atom. There are a spread of Ho–Fe bond distances ranging from 3.00–3.30 Å. The Ho–C bond length is 2.50 Å. There are seven inequivalent Fe sites. In the first Fe site, Fe is bonded in a single-bond geometry to eight Fe and one C atom. There are a spread of Fe–Fe bond distances ranging from 2.42–2.73 Å. The Fe–C bond length is 1.85 Å. In the second Fe site, Fe is bonded in a 12-coordinate geometry to two equivalent Ho and ten Fe atoms. There are a spread of Fe–Fe bond distances ranging from 2.43–2.76 Å. In the third Fe site, Fe is bonded in a 2-coordinate geometry to one Ho and thirteen Fe atoms. There are a spread of Fe–Fe bond distances ranging from 2.40–2.64 Å. In the fourth Fe site, Fe is bonded to two equivalent Ho and ten Fe atoms to form FeHo2Fe10 cuboctahedra that share corners with eight FeHo2Fe10 cuboctahedra, corners with two equivalent CHo2Fe4 octahedra, edges with four equivalent FeHo3Fe9 cuboctahedra, and faces with eight FeHo2Fe10 cuboctahedra. The corner-sharing octahedral tilt angles are 44°. All Fe–Fe bond lengths are 2.46 Å. In the fifth Fe site, Fe is bonded to two equivalent Ho and ten Fe atoms to form distorted FeHo2Fe10 cuboctahedra that share corners with twelve FeHo2Fe10 cuboctahedra, edges with four equivalent FeHo3Fe9 cuboctahedra, faces with eight FeHo2Fe10 cuboctahedra, and faces with two equivalent CHo2Fe4 octahedra. There are two shorter (2.45 Å) and two longer (2.47 Å) Fe–Fe bond lengths. In the sixth Fe site, Fe is bonded to three equivalent Ho and nine Fe atoms to form FeHo3Fe9 cuboctahedra that share corners with twelve FeHo2Fe10 cuboctahedra, corners with two equivalent CHo2Fe4 octahedra, edges with six FeHo2Fe10 cuboctahedra, faces with seven FeHo2Fe10 cuboctahedra, and a faceface with one CHo2Fe4 octahedra. The corner-sharing octahedra tilt angles range from 66–70°. There are one shorter (2.50 Å) and one longer (2.53 Å) Fe–Fe bond lengths. In the seventh Fe site, Fe is bonded in a single-bond geometry to seven Fe and one C atom. The Fe–C bond length is 1.92 Å. C is bonded to two equivalent Ho and four Fe atoms to form CHo2Fe4 octahedra that share corners with ten FeHo2Fe10 cuboctahedra and faces with eight FeHo2Fe10 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ho2Mn12P7 by Materials Project

Ho2Mn12P7 crystallizes in the hexagonal P-6 space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded in a 6-coordinate geometry to six equivalent P atoms. All Ho–P bond lengths are 2.84 Å. In the second Ho site, Ho is bonded in a 6-coordinate geometry to six equivalent P atoms. All Ho–P bond lengths are 2.85 Å. There are four inequivalent Mn sites. In the first Mn site, Mn is bonded to four P atoms to form a mixture of edge and corner-sharing MnP4 tetrahedra. There are a spread of Mn–P bond distances ranging from 2.32–2.37 Å. In the second Mn site, Mn is bonded to four P atoms to form a mixture of distorted edge and corner-sharing MnP4 tetrahedra. There are a spread of Mn–P bond distances ranging from 2.23–2.31 Å. In the third Mn site, Mn is bonded to four P atoms to form a mixture of edge and corner-sharing MnP4 tetrahedra. There are a spread of Mn–P bond distances ranging from 2.31–2.34 Å. In the fourth Mn site, Mn is bonded in a 5-coordinate geometry to five P atoms. There are a spread of Mn–P bond distances ranging from 2.44–2.55 Å. There are three inequivalent P sites. In the first P site, P is bonded in a 9-coordinate geometry to two equivalent Ho and seven Mn atoms. In the second P site, P is bonded in a 9-coordinate geometry to two equivalent Ho and seven Mn atoms. In the third P site, P is bonded in a 9-coordinate geometry to nine Mn atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on HoN3O10 by Materials Project

HoN3O10 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of one HoN3O10 ribbon oriented in the (0, 1, 0) direction. Ho is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Ho–O bond distances ranging from 2.33–2.47 Å. There are three inequivalent N sites. In the first N site, N is bonded in a trigonal planar geometry to three O atoms. There is one shorter (1.22 Å) and two longer (1.29 Å) N–O bond length. In the second N site, N is bonded in a trigonal planar geometry to three O atoms. There are a spread of N–O bond distances ranging from 1.21–1.33 Å. In the third N site, N is bonded in a trigonal planar geometry to three O atoms. There are a spread of N–O bond distances ranging from 1.21–1.33 Å. There are ten inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Ho atom. In the second O site, O is bonded in an L-shaped geometry to one Ho and one N atom. In the third O site, O is bonded in an L-shaped geometry to one Ho and one N atom. In the fourth O site, O is bonded in a single-bond geometry to one N atom. In the fifth O site, O is bonded in a 3-coordinate geometry to two equivalent Ho and one N atom. In the sixth O site, O is bonded in a water-like geometry to one Ho and one N atom. In the seventh O site, O is bonded in a single-bond geometry to one N atom. In the eighth O site, O is bonded in a 1-coordinate geometry to two equivalent Ho and one N atom. In the ninth O site, O is bonded in a distorted water-like geometry to one Ho and one N atom. In the tenth O site, O is bonded in a single-bond geometry to one N atom.

36 MATERIALS SCIENCE↗
NASA NTRS2009

2-Micron Laser Transmitter for Coherent CO2 DIAL Measurement

Carbon dioxide (CO2) has been recognized as one of the most important greenhouse gases. It is essential for the study of global warming to accurately measure the CO2 concentration in the atmosphere and continuously record its variation. A high repetition rate, highly efficient, Q-switched 2-micron laser system as the transmitter of a coherent differential absorption lidar for CO2 measurement has been developed in NASA Langley Research Center. This laser system is capable of making a vertical profiling of CO2 from ground and column measurement of CO2 from air and space-borne platform. The transmitter is a master-slave laser system. The master laser operates in a single frequency, either on-line or off-line of a selected CO2 absorption line. The slave laser is a Q-switched ring-cavity Ho:YLF laser which is pumped by a Tm:fiber laser. The repetition rate can be adjusted from a few hundred Hz to 10 kHz. The injection seeding success rate is from 99.4% to 99.95%. For 1 kHz operation, the output pulse energy is 5.5mJ with the pulse length of ~50 ns. The optical-to-optical efficiency is 39% when the pump power is 14.5W. A Ho:YLF laser operating in the range of 2.05 micrometers can be tuned over several characteristic lines of CO2 absorption. Experimentally, a diode pumped Ho:Tm:YLF laser has been successfully used as the transmitter of coherent differential absorption lidar for the measurement of CO2 with a repetition rate of 5 Hz and pulse energy of 75 mJ. For coherent detection, high repetition rate is required for speckle averaging to obtain highly precise measurements. However, a diode pumped Ho:Tm:YLF laser can not operate in high repetition rate due to the large heat loading and up-conversion. A Tm:fiber laser pumped Ho:YLF laser with low heat loading can operate in high repetition rate. A theoretical model has been established to simulate the performance of Tm:fiber laser pumped Ho:YLF lasers. For continuous wave (CW) operation, high pump intensity with small beam size is suitable for high efficiency. For Q-switched operation, the optimal energy extraction relies on the pump intensity, pump volume, and pump duration which is inversely proportion to the repetition rate. CW and Q-switched Ho:YLF lasers with different linear cavity configurations have been designed and demonstrated for a 30 W Tm:fiber pump laser. The CW Ho laser slope efficiency and optical-to-optical efficiencies reach 65% and 55%, respectively. The pulsed laser efficiency depends on the repetition rate. For 1 kHz operation, the optical-to-optical efficiency is 39% when the pump power is 14.5W. Currently, the injection seeding success rate is between 99.4% and 99.95%. After a ten thousand pulses, the standard deviation of the laser frequency jitter is about 3 MHz. It meets the requirements of highly precise CO2 concentration measurement. In conclusion, an injection seeded, high repetition rate, Q-switched Ho:YLF laser has been developed for a coherent CO2 differential absorption lidar. This master-slave laser system has high optical-to-optical efficiency and seeding success rate. It can potentially meet the requirements of the coherent detection of CO2 concentration by a differential absorption lidar technique.

Singh, Upendra N.↗
DOE OSTI2020

Materials Data on Ho3Pd2 by Materials Project

Ho3Pd2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded in a 6-coordinate geometry to six equivalent Pd atoms. There are two shorter (2.97 Å) and four longer (3.05 Å) Ho–Pd bond lengths. In the second Ho site, Ho is bonded in a square co-planar geometry to four equivalent Pd atoms. All Ho–Pd bond lengths are 3.03 Å. Pd is bonded in a 8-coordinate geometry to eight Ho atoms.

36 MATERIALS SCIENCE↗