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DOE OSTI2020

Materials Data on Ho4ZrAl15 by Materials Project

Al15Ho4Zr is Uranium Silicide-derived structured and 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 to twelve Al atoms to form HoAl12 cuboctahedra that share corners with four equivalent ZrAl12 cuboctahedra, corners with eight HoAl12 cuboctahedra, edges with twenty-four AlHo2Zr2Al8 cuboctahedra, a faceface with one ZrAl12 cuboctahedra, faces with five HoAl12 cuboctahedra, and faces with twelve AlHo4Al8 cuboctahedra. There are four shorter (2.98 Å) and eight longer (3.00 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 twelve HoAl12 cuboctahedra, edges with twenty-four AlHo4Al8 cuboctahedra, faces with six HoAl12 cuboctahedra, and faces with twelve AlHo4Al8 cuboctahedra. There are four shorter (2.98 Å) and eight longer (2.99 Å) Ho–Al bond lengths. Zr is bonded to twelve Al atoms to form ZrAl12 cuboctahedra that share corners with four equivalent ZrAl12 cuboctahedra, corners with eight equivalent HoAl12 cuboctahedra, edges with twenty-four AlHo2Zr2Al8 cuboctahedra, faces with two equivalent HoAl12 cuboctahedra, faces with four equivalent ZrAl12 cuboctahedra, and faces with twelve AlHo2Zr2Al8 cuboctahedra. There are eight shorter (2.93 Å) and four longer (2.98 Å) Zr–Al bond lengths. There are six inequivalent Al sites. In the first Al site, Al is bonded to four equivalent Zr and eight equivalent Al atoms to form AlZr4Al8 cuboctahedra that share corners with twelve AlZr4Al8 cuboctahedra, edges with eight equivalent HoAl12 cuboctahedra, edges with sixteen equivalent AlHo2Zr2Al8 cuboctahedra, faces with four equivalent ZrAl12 cuboctahedra, and faces with fourteen AlHo2Zr2Al8 cuboctahedra. All Al–Al bond lengths are 2.93 Å. In the second Al site, Al is bonded to four equivalent Ho and eight Al atoms to form distorted AlHo4Al8 cuboctahedra that share corners with twelve AlZr4Al8 cuboctahedra, edges with four equivalent HoAl12 cuboctahedra, edges with four equivalent ZrAl12 cuboctahedra, edges with sixteen AlHo2Zr2Al8 cuboctahedra, faces with four equivalent HoAl12 cuboctahedra, and faces with fourteen AlZr4Al8 cuboctahedra. There are four shorter (2.99 Å) and four longer (3.01 Å) Al–Al bond lengths. In the third Al site, Al is bonded to four equivalent Ho and eight Al atoms to form distorted AlHo4Al8 cuboctahedra that share corners with twelve AlHo4Al8 cuboctahedra, edges with eight HoAl12 cuboctahedra, edges with sixteen AlHo4Al8 cuboctahedra, faces with four equivalent HoAl12 cuboctahedra, and faces with fourteen AlHo4Al8 cuboctahedra. There are four shorter (2.98 Å) and four longer (2.99 Å) Al–Al bond lengths. In the fourth Al site, Al is bonded to two equivalent Ho, two equivalent Zr, and eight Al atoms to form distorted AlHo2Zr2Al8 cuboctahedra that share corners with twelve AlHo2Zr2Al8 cuboctahedra, edges with four equivalent HoAl12 cuboctahedra, edges with four equivalent ZrAl12 cuboctahedra, edges with sixteen AlZr4Al8 cuboctahedra, faces with two equivalent HoAl12 cuboctahedra, faces with two equivalent ZrAl12 cuboctahedra, and faces with fourteen AlZr4Al8 cuboctahedra. All Al–Al bond lengths are 2.98 Å. In the fifth Al site, Al is bonded to four Ho and eight Al atoms to form distorted AlHo4Al8 cuboctahedra that share corners with twelve AlHo2Zr2Al8 cuboctahedra, edges with eight HoAl12 cuboctahedra, edges with sixteen AlHo4Al8 cuboctahedra, faces with four HoAl12 cuboctahedra, and faces with fourteen AlHo4Al8 cuboctahedra. All Al–Al bond lengths are 2.98 Å. In the sixth Al site, Al is bonded to four equivalent Ho and eight Al atoms to form distorted AlHo4Al8 cuboctahedra that share corners with twelve AlHo4Al8 cuboctahedra, edges with eight equivalent HoAl12 cuboctahedra, edges with sixteen AlHo4Al8 cuboctahedra, faces with four equivalent HoAl12 cuboctahedra, and faces with fourteen AlHo4Al8 cuboctahedra. All Al–Al bond lengths are 2.98 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ho2Ge2Ru by Materials Project

Ho2RuGe2 crystallizes in the monoclinic C2/m 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 four equivalent Ru and seven Ge atoms. There are a spread of Ho–Ru bond distances ranging from 3.06–3.17 Å. There are a spread of Ho–Ge bond distances ranging from 2.94–3.43 Å. In the second Ho site, Ho is bonded in a 6-coordinate geometry to two equivalent Ru and six Ge atoms. Both Ho–Ru bond lengths are 3.28 Å. There are a spread of Ho–Ge bond distances ranging from 2.90–3.20 Å. Ru is bonded in a 10-coordinate geometry to six Ho and four Ge atoms. There are a spread of Ru–Ge bond distances ranging from 2.46–2.62 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 10-coordinate geometry to six Ho, three equivalent Ru, and one Ge atom. The Ge–Ge bond length is 2.75 Å. In the second Ge site, Ge is bonded in a 9-coordinate geometry to seven Ho, one Ru, and one Ge atom. The Ge–Ge bond length is 2.66 Å.

36 MATERIALS SCIENCE↗
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Materials Data on PmHo3 by Materials Project

Ho3Pm 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 to eight Ho and four equivalent Pm atoms to form HoPm4Ho8 cuboctahedra that share corners with twelve equivalent HoPm4Ho8 cuboctahedra, edges with eight equivalent PmHo12 cuboctahedra, edges with sixteen HoPm4Ho8 cuboctahedra, faces with four equivalent PmHo12 cuboctahedra, and faces with fourteen HoPm4Ho8 cuboctahedra. All Ho–Ho bond lengths are 3.56 Å. All Ho–Pm bond lengths are 3.56 Å. In the second Ho site, Ho is bonded to eight equivalent Ho and four equivalent Pm atoms to form HoPm4Ho8 cuboctahedra that share corners with four equivalent HoPm4Ho8 cuboctahedra, corners with eight equivalent PmHo12 cuboctahedra, edges with twenty-four HoPm4Ho8 cuboctahedra, faces with six equivalent PmHo12 cuboctahedra, and faces with twelve HoPm4Ho8 cuboctahedra. All Ho–Pm bond lengths are 3.56 Å. Pm is bonded to twelve Ho atoms to form PmHo12 cuboctahedra that share corners with four equivalent PmHo12 cuboctahedra, corners with eight equivalent HoPm4Ho8 cuboctahedra, edges with eight equivalent PmHo12 cuboctahedra, edges with sixteen equivalent HoPm4Ho8 cuboctahedra, faces with four equivalent PmHo12 cuboctahedra, and faces with fourteen HoPm4Ho8 cuboctahedra.

36 MATERIALS SCIENCE↗
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Materials Data on NdHo3 by Materials Project

Ho3Nd is alpha La-derived structured and 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 to eight Ho and four equivalent Nd atoms to form HoNd4Ho8 cuboctahedra that share corners with twelve equivalent HoNd4Ho8 cuboctahedra, edges with eight equivalent NdHo12 cuboctahedra, edges with sixteen HoNd4Ho8 cuboctahedra, faces with four equivalent NdHo12 cuboctahedra, and faces with fourteen HoNd4Ho8 cuboctahedra. All Ho–Ho bond lengths are 3.57 Å. All Ho–Nd bond lengths are 3.57 Å. In the second Ho site, Ho is bonded to eight equivalent Ho and four equivalent Nd atoms to form HoNd4Ho8 cuboctahedra that share corners with four equivalent HoNd4Ho8 cuboctahedra, corners with eight equivalent NdHo12 cuboctahedra, edges with twenty-four HoNd4Ho8 cuboctahedra, faces with six equivalent NdHo12 cuboctahedra, and faces with twelve HoNd4Ho8 cuboctahedra. All Ho–Nd bond lengths are 3.57 Å. Nd is bonded to twelve Ho atoms to form NdHo12 cuboctahedra that share corners with four equivalent NdHo12 cuboctahedra, corners with eight equivalent HoNd4Ho8 cuboctahedra, edges with eight equivalent NdHo12 cuboctahedra, edges with sixteen equivalent HoNd4Ho8 cuboctahedra, faces with four equivalent NdHo12 cuboctahedra, and faces with fourteen HoNd4Ho8 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ho3Ni2 by Materials Project

Ho3Ni2 crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of one Ho3Ni2 sheet oriented in the (0, 0, 1) direction. there are three inequivalent Ho sites. In the first Ho site, Ho is bonded in a 7-coordinate geometry to seven Ni atoms. There are a spread of Ho–Ni bond distances ranging from 2.80–2.99 Å. In the second Ho site, Ho is bonded in a distorted trigonal non-coplanar geometry to three Ni atoms. There are two shorter (2.76 Å) and one longer (2.77 Å) Ho–Ni bond lengths. In the third Ho site, Ho is bonded in a 4-coordinate geometry to four Ni atoms. There are two shorter (2.79 Å) and two longer (2.87 Å) Ho–Ni bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 9-coordinate geometry to seven Ho and two Ni atoms. There are one shorter (2.60 Å) and one longer (2.61 Å) Ni–Ni bond lengths. In the second Ni site, Ni is bonded in a 7-coordinate geometry to seven Ho and one Ni atom.

36 MATERIALS SCIENCE↗
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Materials Data on Ho2CoGe2 by Materials Project

Ho2CoGe2 crystallizes in the monoclinic C2/m 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 two equivalent Co and six Ge atoms. Both Ho–Co bond lengths are 3.16 Å. There are a spread of Ho–Ge bond distances ranging from 2.90–3.08 Å. In the second Ho site, Ho is bonded in a 2-coordinate geometry to four equivalent Co and seven Ge atoms. There are a spread of Ho–Co bond distances ranging from 3.02–3.08 Å. There are a spread of Ho–Ge bond distances ranging from 2.91–3.22 Å. Co is bonded in a 10-coordinate geometry to six Ho and four Ge atoms. There are a spread of Co–Ge bond distances ranging from 2.39–2.54 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to seven Ho, one Co, and one Ge atom. The Ge–Ge bond length is 2.68 Å. In the second Ge site, Ge is bonded in a 10-coordinate geometry to six Ho, three equivalent Co, and one Ge atom. The Ge–Ge bond length is 2.82 Å.

36 MATERIALS SCIENCE↗
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Materials Data on Ho2Co12Ni5 by Materials Project

Ho2Co12Ni5 crystallizes in the hexagonal P6_3/mmc 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 eighteen Co atoms. There are a spread of Ho–Co bond distances ranging from 2.94–3.20 Å. In the second Ho site, Ho is bonded in a 2-coordinate geometry to twelve Co and eight Ni atoms. There are six shorter (3.01 Å) and six longer (3.05 Å) Ho–Co bond lengths. There are two shorter (2.80 Å) and six longer (3.12 Å) Ho–Ni bond lengths. There are two inequivalent Co sites. In the first Co site, Co is bonded to two Ho, six Co, and four Ni atoms to form distorted CoHo2Co6Ni4 cuboctahedra that share corners with four equivalent NiHo2Co8Ni2 cuboctahedra, corners with twenty CoHo2Co6Ni4 cuboctahedra, edges with two equivalent NiHo2Co8Ni2 cuboctahedra, edges with three CoHo3Co6Ni3 cuboctahedra, faces with four equivalent NiHo2Co8Ni2 cuboctahedra, and faces with seventeen CoHo2Co6Ni4 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.30–2.53 Å. There are two shorter (2.38 Å) and two longer (2.67 Å) Co–Ni bond lengths. In the second Co site, Co is bonded to three Ho, six Co, and three Ni atoms to form distorted CoHo3Co6Ni3 cuboctahedra that share corners with five equivalent NiHo2Co8Ni2 cuboctahedra, corners with eighteen CoHo3Co6Ni3 cuboctahedra, edges with three equivalent NiHo2Co8Ni2 cuboctahedra, edges with seven CoHo3Co6Ni3 cuboctahedra, faces with two equivalent NiHo2Co8Ni2 cuboctahedra, and faces with eighteen CoHo2Co6Ni4 cuboctahedra. Both Co–Co bond lengths are 2.36 Å. There are two shorter (2.43 Å) and one longer (2.65 Å) Co–Ni bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded to two equivalent Ho, eight Co, and two equivalent Ni atoms to form NiHo2Co8Ni2 cuboctahedra that share corners with four equivalent NiHo2Co8Ni2 cuboctahedra, corners with eighteen CoHo3Co6Ni3 cuboctahedra, edges with ten CoHo3Co6Ni3 cuboctahedra, faces with six equivalent NiHo2Co8Ni2 cuboctahedra, and faces with twelve CoHo2Co6Ni4 cuboctahedra. Both Ni–Ni bond lengths are 2.52 Å. In the second Ni site, Ni is bonded in a 1-coordinate geometry to one Ho, nine Co, and four Ni atoms. The Ni–Ni bond length is 2.42 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on DyHo3 by Materials Project

Ho3Dy is Copper-derived structured and 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 to eight Ho and four equivalent Dy atoms to form HoDy4Ho8 cuboctahedra that share corners with twelve equivalent HoDy4Ho8 cuboctahedra, edges with eight equivalent DyHo12 cuboctahedra, edges with sixteen HoDy4Ho8 cuboctahedra, faces with four equivalent DyHo12 cuboctahedra, and faces with fourteen HoDy4Ho8 cuboctahedra. All Ho–Ho bond lengths are 3.53 Å. All Ho–Dy bond lengths are 3.53 Å. In the second Ho site, Ho is bonded to eight equivalent Ho and four equivalent Dy atoms to form HoDy4Ho8 cuboctahedra that share corners with four equivalent HoDy4Ho8 cuboctahedra, corners with eight equivalent DyHo12 cuboctahedra, edges with twenty-four HoDy4Ho8 cuboctahedra, faces with six equivalent DyHo12 cuboctahedra, and faces with twelve HoDy4Ho8 cuboctahedra. All Ho–Dy bond lengths are 3.53 Å. Dy is bonded to twelve Ho atoms to form DyHo12 cuboctahedra that share corners with four equivalent DyHo12 cuboctahedra, corners with eight equivalent HoDy4Ho8 cuboctahedra, edges with eight equivalent DyHo12 cuboctahedra, edges with sixteen equivalent HoDy4Ho8 cuboctahedra, faces with four equivalent DyHo12 cuboctahedra, and faces with fourteen HoDy4Ho8 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ho3Ga8Rh3 by Materials Project

Ho3Rh3Ga8 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded to twelve Ga atoms to form distorted face-sharing HoGa12 cuboctahedra. There are eight shorter (3.18 Å) and four longer (3.22 Å) Ho–Ga bond lengths. In the second Ho site, Ho is bonded in a 12-coordinate geometry to four Rh and eight Ga atoms. There are two shorter (2.98 Å) and two longer (3.00 Å) Ho–Rh bond lengths. There are four shorter (3.04 Å) and four longer (3.16 Å) Ho–Ga bond lengths. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 8-coordinate geometry to four equivalent Ho and four equivalent Ga atoms. All Rh–Ga bond lengths are 2.61 Å. In the second Rh site, Rh is bonded in a 8-coordinate geometry to two equivalent Ho and six Ga atoms. There are two shorter (2.55 Å) and four longer (2.60 Å) Rh–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to three Ho, three Rh, and three equivalent Ga atoms. There are two shorter (2.66 Å) and one longer (2.71 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 1-coordinate geometry to four Ho, one Rh, and four Ga atoms. The Ga–Ga bond length is 2.54 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ho4HfAl15 by Materials Project

Ho4HfAl15 is Uranium Silicide-derived structured and 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 to twelve Al atoms to form HoAl12 cuboctahedra that share corners with four equivalent HfAl12 cuboctahedra, corners with eight HoAl12 cuboctahedra, edges with twenty-four AlHo2Hf2Al8 cuboctahedra, a faceface with one HfAl12 cuboctahedra, faces with five HoAl12 cuboctahedra, and faces with twelve AlHo4Al8 cuboctahedra. There are a spread of Ho–Al bond distances ranging from 2.98–3.01 Å. In the second Ho site, Ho is bonded to twelve Al atoms to form HoAl12 cuboctahedra that share corners with twelve HoAl12 cuboctahedra, edges with twenty-four AlHo4Al8 cuboctahedra, faces with six HoAl12 cuboctahedra, and faces with twelve AlHo4Al8 cuboctahedra. There are a spread of Ho–Al bond distances ranging from 2.98–3.00 Å. Hf is bonded to twelve Al atoms to form HfAl12 cuboctahedra that share corners with four equivalent HfAl12 cuboctahedra, corners with eight equivalent HoAl12 cuboctahedra, edges with twenty-four AlHo2Hf2Al8 cuboctahedra, faces with two equivalent HoAl12 cuboctahedra, faces with four equivalent HfAl12 cuboctahedra, and faces with twelve AlHo2Hf2Al8 cuboctahedra. There are eight shorter (2.91 Å) and four longer (2.98 Å) Hf–Al bond lengths. There are six inequivalent Al sites. In the first Al site, Al is bonded to four equivalent Hf and eight equivalent Al atoms to form AlHf4Al8 cuboctahedra that share corners with twelve AlHf4Al8 cuboctahedra, edges with eight equivalent HoAl12 cuboctahedra, edges with sixteen equivalent AlHo2Hf2Al8 cuboctahedra, faces with four equivalent HfAl12 cuboctahedra, and faces with fourteen AlHo2Hf2Al8 cuboctahedra. All Al–Al bond lengths are 2.91 Å. In the second Al site, Al is bonded to four equivalent Ho and eight Al atoms to form distorted AlHo4Al8 cuboctahedra that share corners with twelve AlHf4Al8 cuboctahedra, edges with four equivalent HoAl12 cuboctahedra, edges with four equivalent HfAl12 cuboctahedra, edges with sixteen AlHo2Hf2Al8 cuboctahedra, faces with four equivalent HoAl12 cuboctahedra, and faces with fourteen AlHf4Al8 cuboctahedra. There are four shorter (2.99 Å) and four longer (3.02 Å) Al–Al bond lengths. In the third Al site, Al is bonded to four equivalent Ho and eight Al atoms to form distorted AlHo4Al8 cuboctahedra that share corners with twelve AlHo4Al8 cuboctahedra, edges with eight HoAl12 cuboctahedra, edges with sixteen AlHo4Al8 cuboctahedra, faces with four equivalent HoAl12 cuboctahedra, and faces with fourteen AlHo4Al8 cuboctahedra. All Al–Al bond lengths are 2.99 Å. In the fourth Al site, Al is bonded to two equivalent Ho, two equivalent Hf, and eight Al atoms to form distorted AlHo2Hf2Al8 cuboctahedra that share corners with twelve AlHo2Hf2Al8 cuboctahedra, edges with four equivalent HoAl12 cuboctahedra, edges with four equivalent HfAl12 cuboctahedra, edges with sixteen AlHf4Al8 cuboctahedra, faces with two equivalent HoAl12 cuboctahedra, faces with two equivalent HfAl12 cuboctahedra, and faces with fourteen AlHf4Al8 cuboctahedra. All Al–Al bond lengths are 2.98 Å. In the fifth Al site, Al is bonded to four Ho and eight Al atoms to form distorted AlHo4Al8 cuboctahedra that share corners with twelve AlHo2Hf2Al8 cuboctahedra, edges with eight HoAl12 cuboctahedra, edges with sixteen AlHo4Al8 cuboctahedra, faces with four HoAl12 cuboctahedra, and faces with fourteen AlHo4Al8 cuboctahedra. All Al–Al bond lengths are 2.98 Å. In the sixth Al site, Al is bonded to four equivalent Ho and eight Al atoms to form distorted AlHo4Al8 cuboctahedra that share corners with twelve AlHo4Al8 cuboctahedra, edges with eight equivalent HoAl12 cuboctahedra, edges with sixteen AlHo4Al8 cuboctahedra, faces with four equivalent HoAl12 cuboctahedra, and faces with fourteen AlHo4Al8 cuboctahedra. All Al–Al bond lengths are 2.98 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ho12Si5S28 by Materials Project

Ho12Si5S28 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are twelve inequivalent Ho3+ sites. In the first Ho3+ site, Ho3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Ho–S bond distances ranging from 2.74–3.03 Å. In the second Ho3+ site, Ho3+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of Ho–S bond distances ranging from 2.67–2.99 Å. In the third Ho3+ site, Ho3+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of Ho–S bond distances ranging from 2.67–2.98 Å. In the fourth Ho3+ site, Ho3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Ho–S bond distances ranging from 2.72–3.04 Å. In the fifth Ho3+ site, Ho3+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of Ho–S bond distances ranging from 2.68–2.99 Å. In the sixth Ho3+ site, Ho3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Ho–S bond distances ranging from 2.73–3.05 Å. In the seventh Ho3+ site, Ho3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Ho–S bond distances ranging from 2.65–3.08 Å. In the eighth Ho3+ site, Ho3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Ho–S bond distances ranging from 2.73–3.24 Å. In the ninth Ho3+ site, Ho3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Ho–S bond distances ranging from 2.72–3.24 Å. In the tenth Ho3+ site, Ho3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Ho–S bond distances ranging from 2.66–3.09 Å. In the eleventh Ho3+ site, Ho3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Ho–S bond distances ranging from 2.73–3.23 Å. In the twelfth Ho3+ site, Ho3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Ho–S bond distances ranging from 2.66–3.09 Å. There are five inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded in a tetrahedral geometry to four S2- atoms. There are a spread of Si–S bond distances ranging from 2.10–2.16 Å. In the second Si4+ site, Si4+ is bonded in a tetrahedral geometry to four S2- atoms. There are a spread of Si–S bond distances ranging from 2.11–2.15 Å. In the third Si4+ site, Si4+ is bonded in a tetrahedral geometry to four S2- atoms. There are a spread of Si–S bond distances ranging from 2.11–2.15 Å. In the fourth Si4+ site, Si4+ is bonded in a tetrahedral geometry to four S2- atoms. There are a spread of Si–S bond distances ranging from 2.12–2.15 Å. In the fifth Si4+ site, Si4+ is bonded in an octahedral geometry to six S2- atoms. There are a spread of Si–S bond distances ranging from 2.31–2.40 Å. There are twenty-eight inequivalent S2- sites. In the first S2- site, S2- is bonded in a 4-coordinate geometry to three Ho3+ and one Si4+ atom. In the second S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to three Ho3+ and one Si4+ atom. In the third S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to three Ho3+ and one Si4+ atom. In the fourth S2- site, S2- is bonded in a 4-coordinate geometry to three Ho3+ and one Si4+ atom. In the fifth S2- site, S2- is bonded in a 4-coordinate geometry to three Ho3+ and one Si4+ atom. In the sixth S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to three Ho3+ and one Si4+ atom. In the seventh S2- site, S2- is bonded in a 4-coordinate geometry to three Ho3+ and one Si4+ atom. In the eighth S2- site, S2- is bonded in a 4-coordinate geometry to three Ho3+ and one Si4+ atom. In the ninth S2- site, S2- is bonded in a 4-coordinate geometry to three Ho3+ and one Si4+ atom. In the tenth S2- site, S2- is bonded in a 4-coordinate geometry to three Ho3+ and one Si4+ atom. In the eleventh S2- site, S2- is bonded in a 4-coordinate geometry to three Ho3+ and one Si4+ atom. In the twelfth S2- site, S2- is bonded in a 4-coordinate geometry to three Ho3+ and one Si4+ atom. In the thirteenth S2- site, S2- is bonded to three Ho3+ and one Si4+ atom to form distorted corner-sharing SHo3Si tetrahedra. In the fourteenth S2- site, S2- is bonded to three Ho3+ and one Si4+ atom to form distorted corner-sharing SHo3Si tetrahedra. In the fifteenth S2- site, S2- is bonded to three Ho3+ and one Si4+ atom to form distorted corner-sharing SHo3Si tetrahedra. In the sixteenth S2- site, S2- is bonded to three Ho3+ and one Si4+ atom to form distorted corner-sharing SHo3Si tetrahedra. In the seventeenth S2- site, S2- is bonded in a 5-coordinate geometry to four Ho3+ and one Si4+ atom. In the eighteenth S2- site, S2- is bonded in a 4-coordinate geometry to four Ho3+ atoms. In the nineteenth S2- site, S2- is bonded in a 5-coordinate geometry to four Ho3+ and one Si4+ atom. In the twentieth S2- site, S2- is bonded in a 4-coordinate geometry to four Ho3+ atoms. In the twenty-first S2- site, S2- is bonded in a 4-coordinate geometry to four Ho3+ atoms. In the twenty-second S2- site, S2- is bonded in a 5-coordinate geometry to four Ho3+ and one Si4+ atom. In the twenty-third S2- site, S2- is bonded in a 4-coordinate geometry to four Ho3+ atoms. In the twenty-fourth S2- site, S2- is bonded to three Ho3+ and one Si4+ atom to form a mixture of distorted corner and edge-sharing SHo3Si trigonal pyramids. In the twenty-fifth S2- site, S2- is bonded in a 4-coordinate geometry to four Ho3+ atoms. In the twenty-sixth S2- site, S2- is bonded to three Ho3+ and one Si4+ atom to form a mixture of distorted corner and edge-sharing SHo3Si trigonal pyramids. In the twenty-seventh S2- site, S2- is bonded to three Ho3+ and one Si4+ atom to form a mixture of distorted corner and edge-sharing SHo3Si trigonal pyramids. In the twenty-eighth S2- site, S2- is bonded in a 4-coordinate geometry to four Ho3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TbHo3 by Materials Project

Ho3Tb is beta Cu3Ti-like structured and 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 to eight Ho and four equivalent Tb atoms to form HoTb4Ho8 cuboctahedra that share corners with twelve equivalent HoTb4Ho8 cuboctahedra, edges with eight equivalent TbHo12 cuboctahedra, edges with sixteen HoTb4Ho8 cuboctahedra, faces with four equivalent TbHo12 cuboctahedra, and faces with fourteen HoTb4Ho8 cuboctahedra. All Ho–Ho bond lengths are 3.53 Å. All Ho–Tb bond lengths are 3.53 Å. In the second Ho site, Ho is bonded to eight equivalent Ho and four equivalent Tb atoms to form HoTb4Ho8 cuboctahedra that share corners with four equivalent HoTb4Ho8 cuboctahedra, corners with eight equivalent TbHo12 cuboctahedra, edges with twenty-four HoTb4Ho8 cuboctahedra, faces with six equivalent TbHo12 cuboctahedra, and faces with twelve HoTb4Ho8 cuboctahedra. All Ho–Tb bond lengths are 3.53 Å. Tb is bonded to twelve Ho atoms to form TbHo12 cuboctahedra that share corners with four equivalent TbHo12 cuboctahedra, corners with eight equivalent HoTb4Ho8 cuboctahedra, edges with eight equivalent TbHo12 cuboctahedra, edges with sixteen equivalent HoTb4Ho8 cuboctahedra, faces with four equivalent TbHo12 cuboctahedra, and faces with fourteen HoTb4Ho8 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ho12In3Fe2 by Materials Project

Ho12Fe2In3 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 3-coordinate geometry to one Fe and three In atoms. The Ho–Fe bond length is 2.99 Å. There are a spread of Ho–In bond distances ranging from 3.15–3.77 Å. In the second Ho site, Ho is bonded in a 4-coordinate geometry to two equivalent Fe and two equivalent In atoms. Both Ho–Fe bond lengths are 2.87 Å. Both Ho–In bond lengths are 3.50 Å. Fe is bonded in a 9-coordinate geometry to eight Ho and one Fe atom. The Fe–Fe bond length is 2.15 Å. There are two inequivalent In sites. In the first In site, In is bonded to twelve Ho atoms to form a mixture of distorted corner and face-sharing InHo12 cuboctahedra. In the second In site, In is bonded in a body-centered cubic geometry to eight equivalent Ho atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on GdHo3 by Materials Project

Ho3Gd is alpha La-derived structured and 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 to eight Ho and four equivalent Gd atoms to form HoGd4Ho8 cuboctahedra that share corners with twelve equivalent HoGd4Ho8 cuboctahedra, edges with eight equivalent GdHo12 cuboctahedra, edges with sixteen HoGd4Ho8 cuboctahedra, faces with four equivalent GdHo12 cuboctahedra, and faces with fourteen HoGd4Ho8 cuboctahedra. There are four shorter (3.54 Å) and four longer (3.57 Å) Ho–Ho bond lengths. All Ho–Gd bond lengths are 3.57 Å. In the second Ho site, Ho is bonded to eight equivalent Ho and four equivalent Gd atoms to form HoGd4Ho8 cuboctahedra that share corners with four equivalent HoGd4Ho8 cuboctahedra, corners with eight equivalent GdHo12 cuboctahedra, edges with twenty-four HoGd4Ho8 cuboctahedra, faces with six equivalent GdHo12 cuboctahedra, and faces with twelve HoGd4Ho8 cuboctahedra. All Ho–Gd bond lengths are 3.54 Å. Gd is bonded to twelve Ho atoms to form GdHo12 cuboctahedra that share corners with four equivalent GdHo12 cuboctahedra, corners with eight equivalent HoGd4Ho8 cuboctahedra, edges with eight equivalent GdHo12 cuboctahedra, edges with sixteen equivalent HoGd4Ho8 cuboctahedra, faces with four equivalent GdHo12 cuboctahedra, and faces with fourteen HoGd4Ho8 cuboctahedra.

36 MATERIALS SCIENCE↗
NASA NTRS2006

Energy Levels and Intensity Parameters of Ho3(+) Ions in Y3Al5O12 and Lu3Al5O12

The energy levels of the trivalent lanthanide Ho(sup 3+) in Y3Al5O12 (YAG) and Lu3Al5O12 (LuAG) have been measured. The Stark split levels for the first nine Ho manifolds in these materials have been measured, and the results have been fit to a free ion plus crystal field Hamiltonian to generate a theoretical set of energy levels. Crystal field parameters were varied to determine the best fit between experimental and theoretical energy levels. The energy levels of Ho:LuAG are seen to be very similar to those in Ho:YAG. However, subtle changes resulting from replacing Y(sup 3+) with Lu(sup 3+) in the garnet crystal Y3Al5O12 result in different transition wavelengths in LuAG. This has implications for Ho (sup 5)I7yields (sup 5)I8 lasers operating at approximately 2.1 micrometers. Although the energy levels have been measured previously in Ho:YAG, they have not been measured in Ho:LuAG. A comparison of the energy levels in Ho:YAG measured here show some discrepancies with previous measurements. The consistency of the energy level placement between Ho:LuAG and Ho:YAG indicate that the earlier studies may have some errors in the assignments. Finally, a Judd-Ofelt analysis is performed on Ho:YAG and Ho:LuAG to determine the intensity parameters, and thus, the transition probabilities and branching ratios of the first eight excited manifolds.

Walsh, Brian M.↗
DOE OSTI2020

Materials Data on Ho2Co17 by Materials Project

Ho2Co17 crystallizes in the hexagonal P6_3/mmc 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 eighteen Co atoms. There are a spread of Ho–Co bond distances ranging from 2.93–3.25 Å. In the second Ho site, Ho is bonded in a 2-coordinate geometry to twenty Co atoms. There are a spread of Ho–Co bond distances ranging from 2.88–3.13 Å. There are four inequivalent Co sites. In the first Co site, Co is bonded in a 2-coordinate geometry to one Ho and thirteen Co atoms. There are a spread of Co–Co bond distances ranging from 2.32–2.67 Å. In the second Co site, Co is bonded to two equivalent Ho and ten Co atoms to form CoHo2Co10 cuboctahedra that share corners with fourteen CoHo2Co10 cuboctahedra, edges with six equivalent CoHo3Co9 cuboctahedra, and faces with ten CoHo2Co10 cuboctahedra. There are four shorter (2.39 Å) and four longer (2.40 Å) Co–Co bond lengths. In the third Co site, Co is bonded in a 12-coordinate geometry to two Ho and ten Co atoms. There are a spread of Co–Co bond distances ranging from 2.34–2.54 Å. In the fourth Co site, Co is bonded to three Ho and nine Co atoms to form a mixture of distorted face, edge, and corner-sharing CoHo3Co9 cuboctahedra. Both Co–Co bond lengths are 2.41 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on HoNi4B by Materials Project

HoNi4B crystallizes in the hexagonal P6/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 hexagonal planar geometry to six equivalent Ni atoms. All Ho–Ni bond lengths are 2.86 Å. In the second Ho site, Ho is bonded in a 12-coordinate geometry to twelve equivalent Ni and six equivalent B atoms. All Ho–Ni bond lengths are 2.87 Å. All Ho–B bond lengths are 2.86 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a distorted L-shaped geometry to two equivalent Ho, two equivalent Ni, and two equivalent B atoms. Both Ni–Ni bond lengths are 2.48 Å. Both Ni–B bond lengths are 2.03 Å. In the second Ni site, Ni is bonded in a 12-coordinate geometry to three equivalent Ho and nine Ni atoms. All Ni–Ni bond lengths are 2.86 Å. B is bonded in a 6-coordinate geometry to three equivalent Ho and six equivalent Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ho5Ni2Sb by Materials Project

Ho5Ni2Sb crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded to three equivalent Ni and two equivalent Sb atoms to form distorted HoNi3Sb2 trigonal bipyramids that share corners with four equivalent HoNi4Sb2 octahedra, corners with twelve equivalent HoNi3Sb2 trigonal bipyramids, edges with seven equivalent HoNi3Sb2 trigonal bipyramids, faces with two equivalent HoNi4Sb2 octahedra, and a faceface with one HoNi3Sb2 trigonal bipyramid. The corner-sharing octahedra tilt angles range from 42–62°. There are two shorter (2.86 Å) and one longer (2.92 Å) Ho–Ni bond lengths. Both Ho–Sb bond lengths are 3.23 Å. In the second Ho site, Ho is bonded to four equivalent Ni and two equivalent Sb atoms to form distorted HoNi4Sb2 octahedra that share corners with six equivalent HoNi4Sb2 octahedra, corners with sixteen equivalent HoNi3Sb2 trigonal bipyramids, and faces with eight equivalent HoNi3Sb2 trigonal bipyramids. The corner-sharing octahedra tilt angles range from 0–51°. All Ho–Ni bond lengths are 2.97 Å. Both Ho–Sb bond lengths are 3.34 Å. Ni is bonded in a 9-coordinate geometry to eight Ho atoms. Sb is bonded in a distorted q6 geometry to ten Ho atoms.

36 MATERIALS SCIENCE↗