cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1695339
title: Materials Data on Cu(Bi4Ir)3 by Materials Project

description: IrCuBi6(IrBi3)2 crystallizes in the monoclinic Pm space group. The structure is one-dimensional and consists of one IrBi3 ribbon oriented in the (0, 1, 0) direction and one IrCuBi6 ribbon oriented in the (0, 1, 0) direction. In the IrBi3 ribbon, there are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 9-coordinate geometry to two equivalent Ir and seven Bi atoms. Both Ir–Ir bond lengths are 2.85 Å. There are a spread of Ir–Bi bond distances ranging from 2.80–2.98 Å. In the second Ir site, Ir is bonded in a 9-coordinate geometry to two equivalent Ir and seven Bi atoms. There are a spread of Ir–Bi bond distances ranging from 2.78–2.97 Å. There are six inequivalent Bi sites. In the first Bi site, Bi is bonded in a 3-coordinate geometry to three Ir atoms. In the second Bi site, Bi is bonded in a 3-coordinate geometry to three Ir atoms. In the third Bi site, Bi is bonded in a single-bond geometry to one Ir atom. In the fourth Bi site, Bi is bonded in a distorted single-bond geometry to one Ir atom. In the fifth Bi site, Bi is bonded in a 3-coordinate geometry to three Ir atoms. In the sixth Bi site, Bi is bonded in a 3-coordinate geometry to three Ir atoms. In the IrCuBi6 ribbon, Ir is bonded in a 9-coordinate geometry to two equivalent Cu and seven Bi atoms. Both Ir–Cu bond lengths are 2.74 Å. There are a spread of Ir–Bi bond distances ranging from 2.82–2.86 Å. Cu is bonded in a 9-coordinate geometry to two equivalent Ir and seven Bi atoms. There are a spread of Cu–Bi bond distances ranging from 2.81–3.01 Å. There are six inequivalent Bi sites. In the first Bi site, Bi is bonded in a 2-coordinate geometry to two equivalent Ir and one Cu atom. In the second Bi site, Bi is bonded in a 3-coordinate geometry to one Ir and two equivalent Cu atoms. In the third Bi site, Bi is bonded in a single-bond geometry to one Cu atom. In the fourth Bi site, Bi is bonded in a single-bond geometry to one Ir atom. In the fifth Bi site, Bi is bonded in a 3-coordinate geometry to two equivalent Ir and one Cu atom. In the sixth Bi site, Bi is bonded in a 3-coordinate geometry to one Ir and two equivalent Cu atoms.
DOI: 10.17188/1695340
title: Materials Data on Eu2ZnGe3 by Materials Project

description: Eu2ZnGe3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Eu sites. In the first Eu site, Eu is bonded in a 12-coordinate geometry to two equivalent Zn and ten Ge atoms. There are one shorter (3.22 Å) and one longer (3.52 Å) Eu–Zn bond lengths. There are a spread of Eu–Ge bond distances ranging from 3.12–3.57 Å. In the second Eu site, Eu is bonded in a 12-coordinate geometry to four equivalent Zn and eight Ge atoms. There are two shorter (3.18 Å) and two longer (3.49 Å) Eu–Zn bond lengths. There are a spread of Eu–Ge bond distances ranging from 3.13–3.53 Å. Zn is bonded in a 3-coordinate geometry to six Eu and three Ge atoms. There are two shorter (2.47 Å) and one longer (2.48 Å) Zn–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 1-coordinate geometry to six Eu, one Zn, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.54 Å. In the second Ge site, Ge is bonded in a 1-coordinate geometry to six Eu, one Zn, and two Ge atoms. The Ge–Ge bond length is 2.54 Å.
DOI: 10.17188/1695341
title: Materials Data on Rb8Hg3Ge43 by Materials Project

description: Rb8Hg3Ge43 crystallizes in the trigonal R32 space group. The structure is three-dimensional. there are three inequivalent Rb sites. In the first Rb site, Rb is bonded in a 8-coordinate geometry to twenty Ge atoms. There are a spread of Rb–Ge bond distances ranging from 3.51–3.63 Å. In the second Rb site, Rb is bonded in a 12-coordinate geometry to two equivalent Hg and ten Ge atoms. Both Rb–Hg bond lengths are 3.93 Å. There are a spread of Rb–Ge bond distances ranging from 3.77–3.94 Å. In the third Rb site, Rb is bonded in a 12-coordinate geometry to two equivalent Hg and ten Ge atoms. Both Rb–Hg bond lengths are 3.93 Å. There are a spread of Rb–Ge bond distances ranging from 3.76–3.94 Å. Hg is bonded to four Rb and four Ge atoms to form distorted corner-sharing HgRb4Ge4 tetrahedra. All Hg–Ge bond lengths are 2.64 Å. There are nine inequivalent Ge sites. In the first Ge site, Ge is bonded in a 7-coordinate geometry to three Rb and four Ge atoms. There are a spread of Ge–Ge bond distances ranging from 2.55–2.63 Å. In the second Ge site, Ge is bonded in a 7-coordinate geometry to three Rb, one Hg, and three Ge atoms. There are a spread of Ge–Ge bond distances ranging from 2.54–2.61 Å. In the third Ge site, Ge is bonded in a 7-coordinate geometry to three Rb and four Ge atoms. There are two shorter (2.55 Å) and one longer (2.64 Å) Ge–Ge bond lengths. In the fourth Ge site, Ge is bonded in a 7-coordinate geometry to three Rb, one Hg, and three Ge atoms. Both Ge–Ge bond lengths are 2.55 Å. In the fifth Ge site, Ge is bonded in a distorted body-centered cubic geometry to four Rb and four Ge atoms. In the sixth Ge site, Ge is bonded in a 5-coordinate geometry to one Rb and four Ge atoms. The Ge–Ge bond length is 2.53 Å. In the seventh Ge site, Ge is bonded in a 5-coordinate geometry to one Rb and four Ge atoms. The Ge–Ge bond length is 2.60 Å. In the eighth Ge site, Ge is bonded in a 5-coordinate geometry to one Rb and four Ge atoms. The Ge–Ge bond length is 2.57 Å. In the ninth Ge site, Ge is bonded in a 5-coordinate geometry to one Rb and four Ge atoms. The Ge–Ge bond length is 2.55 Å.
DOI: 10.17188/1695342
title: Materials Data on V2O3F by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1695343
title: Materials Data on Cs3Nb2Se11 by Materials Project

description: Cs3Nb2Se11 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are three inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 11-coordinate geometry to eleven Se+1.18- atoms. There are a spread of Cs–Se bond distances ranging from 3.69–4.29 Å. In the second Cs1+ site, Cs1+ is bonded in a 9-coordinate geometry to nine Se+1.18- atoms. There are a spread of Cs–Se bond distances ranging from 3.66–4.11 Å. In the third Cs1+ site, Cs1+ is bonded in a 10-coordinate geometry to ten Se+1.18- atoms. There are a spread of Cs–Se bond distances ranging from 3.65–4.25 Å. There are two inequivalent Nb5+ sites. In the first Nb5+ site, Nb5+ is bonded in a 7-coordinate geometry to seven Se+1.18- atoms. There are a spread of Nb–Se bond distances ranging from 2.37–3.04 Å. In the second Nb5+ site, Nb5+ is bonded in a 7-coordinate geometry to seven Se+1.18- atoms. There are a spread of Nb–Se bond distances ranging from 2.37–3.10 Å. There are eleven inequivalent Se+1.18- sites. In the first Se+1.18- site, Se+1.18- is bonded in a distorted single-bond geometry to three Cs1+, one Nb5+, and one Se+1.18- atom. The Se–Se bond length is 2.40 Å. In the second Se+1.18- site, Se+1.18- is bonded in a distorted single-bond geometry to four Cs1+, one Nb5+, and one Se+1.18- atom. The Se–Se bond length is 2.39 Å. In the third Se+1.18- site, Se+1.18- is bonded in a 1-coordinate geometry to two Cs1+, one Nb5+, and one Se+1.18- atom. The Se–Se bond length is 2.37 Å. In the fourth Se+1.18- site, Se+1.18- is bonded in a distorted single-bond geometry to three Cs1+ and one Nb5+ atom. In the fifth Se+1.18- site, Se+1.18- is bonded in a distorted single-bond geometry to four Cs1+ and one Nb5+ atom. In the sixth Se+1.18- site, Se+1.18- is bonded in a 1-coordinate geometry to two equivalent Cs1+, two Nb5+, and one Se+1.18- atom. In the seventh Se+1.18- site, Se+1.18- is bonded in a 1-coordinate geometry to three Cs1+ and one Nb5+ atom. In the eighth Se+1.18- site, Se+1.18- is bonded in a 1-coordinate geometry to three Cs1+ and one Nb5+ atom. In the ninth Se+1.18- site, Se+1.18- is bonded in a 1-coordinate geometry to two equivalent Cs1+, two Nb5+, and one Se+1.18- atom. In the tenth Se+1.18- site, Se+1.18- is bonded in a 1-coordinate geometry to three Cs1+, one Nb5+, and one Se+1.18- atom. In the eleventh Se+1.18- site, Se+1.18- is bonded in a 2-coordinate geometry to one Cs1+ and two Nb5+ atoms.
DOI: 10.17188/1695344
title: Materials Data on La(SmB8)3 by Materials Project

description: La(SmB8)3 is Calcium hexaboride-derived structured and crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. there are two inequivalent Sm3+ sites. In the first Sm3+ site, Sm3+ is bonded in a 12-coordinate geometry to twenty-four B+0.50- atoms. There are a spread of Sm–B bond distances ranging from 3.01–3.07 Å. In the second Sm3+ site, Sm3+ is bonded in a 12-coordinate geometry to twenty-four B+0.50- atoms. There are twelve shorter (3.01 Å) and twelve longer (3.05 Å) Sm–B bond lengths. La3+ is bonded in a 12-coordinate geometry to twenty-four B+0.50- atoms. There are a spread of La–B bond distances ranging from 3.01–3.05 Å. There are five inequivalent B+0.50- sites. In the first B+0.50- site, B+0.50- is bonded in a 1-coordinate geometry to three Sm3+, one La3+, and five B+0.50- atoms. There is one shorter (1.65 Å) and four longer (1.75 Å) B–B bond length. In the second B+0.50- site, B+0.50- is bonded in a 1-coordinate geometry to three Sm3+, one La3+, and five B+0.50- atoms. All B–B bond lengths are 1.75 Å. In the third B+0.50- site, B+0.50- is bonded in a 1-coordinate geometry to four Sm3+ and five B+0.50- atoms. The B–B bond length is 1.64 Å. In the fourth B+0.50- site, B+0.50- is bonded in a 1-coordinate geometry to three Sm3+, one La3+, and five B+0.50- atoms. The B–B bond length is 1.65 Å. In the fifth B+0.50- site, B+0.50- is bonded in a 1-coordinate geometry to two equivalent Sm3+, two equivalent La3+, and five B+0.50- atoms. The B–B bond length is 1.66 Å.
DOI: 10.17188/1695346
title: Materials Data on CuN4O3 by Materials Project

description: (Cu)2(N2)3(NO3)2 crystallizes in the hexagonal P-62c space group. The structure is zero-dimensional and consists of six ammonia molecules, two copper molecules, and two nitric acid molecules.
DOI: 10.17188/1695347
title: Materials Data on Mn12O5F19 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1695348
title: Materials Data on Li2VP4(H4O5)4 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1695349
title: Materials Data on MnCd(GaSe2)4 by Materials Project

description: MnCd(GaSe2)4 crystallizes in the tetragonal P-4 space group. The structure is three-dimensional. Mn2+ is bonded to four equivalent Se2- atoms to form MnSe4 tetrahedra that share corners with eight GaSe4 tetrahedra. All Mn–Se bond lengths are 2.57 Å. Cd2+ is bonded to four equivalent Se2- atoms to form CdSe4 tetrahedra that share corners with eight GaSe4 tetrahedra. All Cd–Se bond lengths are 2.67 Å. There are three inequivalent Ga3+ sites. In the first Ga3+ site, Ga3+ is bonded to four equivalent Se2- atoms to form GaSe4 tetrahedra that share corners with four equivalent CdSe4 tetrahedra and corners with four equivalent GaSe4 tetrahedra. All Ga–Se bond lengths are 2.45 Å. In the second Ga3+ site, Ga3+ is bonded to four equivalent Se2- atoms to form GaSe4 tetrahedra that share corners with four equivalent MnSe4 tetrahedra and corners with four equivalent GaSe4 tetrahedra. All Ga–Se bond lengths are 2.46 Å. In the third Ga3+ site, Ga3+ is bonded to four Se2- atoms to form GaSe4 tetrahedra that share corners with two equivalent MnSe4 tetrahedra, corners with two equivalent CdSe4 tetrahedra, and corners with four GaSe4 tetrahedra. There are two shorter (2.45 Å) and two longer (2.46 Å) Ga–Se bond lengths. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a trigonal non-coplanar geometry to one Mn2+ and two Ga3+ atoms. In the second Se2- site, Se2- is bonded in a trigonal non-coplanar geometry to one Cd2+ and two Ga3+ atoms.
DOI: 10.17188/1695350
title: Materials Data on BaLa3Mn4O12 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1695351
title: Materials Data on Sr3InNiO6 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1695352
title: Materials Data on BaYbCo4O7 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1695353
title: Materials Data on KLiPH3O3F by Materials Project

description: KLiPH3O3F crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. K1+ is bonded in a 7-coordinate geometry to one H+0.33+, five O2-, and one F1- atom. The K–H bond length is 2.74 Å. There are a spread of K–O bond distances ranging from 2.76–3.02 Å. The K–F bond length is 2.98 Å. Li1+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of Li–O bond distances ranging from 1.87–1.92 Å. P4+ is bonded in a tetrahedral geometry to three O2- and one F1- atom. There is one shorter (1.52 Å) and two longer (1.53 Å) P–O bond length. The P–F bond length is 1.63 Å. There are three inequivalent H+0.33+ sites. In the first H+0.33+ site, H+0.33+ is bonded in a bent 150 degrees geometry to one K1+ and one H+0.33+ atom. The H–H bond length is 1.06 Å. In the second H+0.33+ site, H+0.33+ is bonded in a single-bond geometry to one H+0.33+ atom. The H–H bond length is 0.86 Å. In the third H+0.33+ site, H+0.33+ is bonded in a linear geometry to two H+0.33+ atoms. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one K1+, one Li1+, and one P4+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two equivalent K1+, one Li1+, and one P4+ atom. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two equivalent K1+, one Li1+, and one P4+ atom. F1- is bonded in a distorted single-bond geometry to one K1+ and one P4+ atom.
DOI: 10.17188/1695355
title: Materials Data on Li2AlVO4 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1695356
title: Materials Data on Li2Mn3(PO4)4 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1695357
title: Materials Data on LiFeSiO4 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1695358
title: Materials Data on LiTl by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1695359
title: Materials Data on Sm2CuGe4 by Materials Project

description: Sm2CuGe4 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Sm sites. In the first Sm site, Sm is bonded in a 10-coordinate geometry to ten Ge atoms. There are a spread of Sm–Ge bond distances ranging from 3.09–3.26 Å. In the second Sm site, Sm is bonded in a 4-coordinate geometry to four equivalent Cu and ten Ge atoms. All Sm–Cu bond lengths are 3.19 Å. There are a spread of Sm–Ge bond distances ranging from 3.12–3.35 Å. Cu is bonded in a 9-coordinate geometry to four equivalent Sm and five Ge atoms. There are a spread of Cu–Ge bond distances ranging from 2.38–2.48 Å. There are four inequivalent Ge sites. In the first Ge site, Ge is bonded in a 1-coordinate geometry to six Sm, one Cu, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.54 Å. In the second Ge site, Ge is bonded in a 8-coordinate geometry to six Sm and two equivalent Ge atoms. In the third Ge site, Ge is bonded in a 4-coordinate geometry to four Sm, two equivalent Cu, and four equivalent Ge atoms. All Ge–Ge bond lengths are 2.92 Å. In the fourth Ge site, Ge is bonded in a 4-coordinate geometry to four Sm, two equivalent Cu, and four equivalent Ge atoms.
DOI: 10.17188/1695360
title: Materials Data on Cu2H12C4Br3N by Materials Project

description: Cu2Br3N(CH3)4 crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of four tetramethylammonium molecules and two Cu2Br3 ribbons oriented in the (1, 0, 0) direction. In each Cu2Br3 ribbon, Cu1+ is bonded to four Br1- atoms to form a mixture of distorted edge and corner-sharing CuBr4 tetrahedra. There are a spread of Cu–Br bond distances ranging from 2.44–2.62 Å. There are three inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in an L-shaped geometry to two equivalent Cu1+ atoms. In the second Br1- site, Br1- is bonded in a 4-coordinate geometry to four equivalent Cu1+ atoms. In the third Br1- site, Br1- is bonded in an L-shaped geometry to two equivalent Cu1+ atoms.
DOI: 10.17188/1695361
title: Materials Data on Rb2LiTaF6 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1695362
title: Materials Data on Ba4Ta10NiO30 by Materials Project

description: Ba4Ta10NiO30 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. there are four inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded in a 6-coordinate geometry to thirteen O2- atoms. There are a spread of Ba–O bond distances ranging from 2.73–3.27 Å. In the second Ba2+ site, Ba2+ is bonded in a 2-coordinate geometry to nine O2- atoms. There are a spread of Ba–O bond distances ranging from 2.74–3.01 Å. In the third Ba2+ site, Ba2+ is bonded in a 8-coordinate geometry to thirteen O2- atoms. There are a spread of Ba–O bond distances ranging from 2.89–3.25 Å. In the fourth Ba2+ site, Ba2+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Ba–O bond distances ranging from 2.73–2.87 Å. There are three inequivalent Ta5+ sites. In the first Ta5+ site, Ta5+ is bonded to six O2- atoms to form corner-sharing TaO6 octahedra. The corner-sharing octahedra tilt angles range from 6–37°. There are a spread of Ta–O bond distances ranging from 1.92–2.09 Å. In the second Ta5+ site, Ta5+ is bonded to six O2- atoms to form corner-sharing TaO6 octahedra. The corner-sharing octahedra tilt angles range from 6–35°. There is four shorter (1.98 Å) and two longer (1.99 Å) Ta–O bond length. In the third Ta5+ site, Ta5+ is bonded to six O2- atoms to form corner-sharing TaO6 octahedra. The corner-sharing octahedra tilt angles range from 5–43°. There are a spread of Ta–O bond distances ranging from 1.94–2.11 Å. Ni2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are two shorter (2.14 Å) and four longer (2.25 Å) Ni–O bond lengths. There are twelve inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to two Ba2+ and two Ta5+ atoms. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two Ba2+ and two Ta5+ atoms. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two Ba2+ and two equivalent Ta5+ atoms. In the fourth O2- site, O2- is bonded in a linear geometry to one Ba2+ and two equivalent Ta5+ atoms. In the fifth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Ba2+ and two equivalent Ta5+ atoms. In the sixth O2- site, O2- is bonded in a 4-coordinate geometry to two Ba2+ and two equivalent Ta5+ atoms. In the seventh O2- site, O2- is bonded in a linear geometry to two equivalent Ta5+ atoms. In the eighth O2- site, O2- is bonded in a 3-coordinate geometry to one Ba2+, two equivalent Ta5+, and one Ni2+ atom. In the ninth O2- site, O2- is bonded in a 3-coordinate geometry to two Ta5+ and one Ni2+ atom. In the tenth O2- site, O2- is bonded in a distorted linear geometry to two Ba2+ and two equivalent Ta5+ atoms. In the eleventh O2- site, O2- is bonded in a distorted linear geometry to two Ba2+ and two equivalent Ta5+ atoms. In the twelfth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two Ba2+ and two Ta5+ atoms.
DOI: 10.17188/1695363
title: Materials Data on Sm2Bi by Materials Project

description: Sm2Bi crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Sm sites. In the first Sm site, Sm is bonded to five equivalent Bi atoms to form a mixture of distorted corner and edge-sharing SmBi5 square pyramids. There are one shorter (3.27 Å) and four longer (3.32 Å) Sm–Bi bond lengths. In the second Sm site, Sm is bonded in a 4-coordinate geometry to four equivalent Sm and four equivalent Bi atoms. All Sm–Sm bond lengths are 3.24 Å. All Sm–Bi bond lengths are 3.38 Å. Bi is bonded in a 9-coordinate geometry to nine Sm atoms.
DOI: 10.17188/1695364
title: Materials Data on CdGeP2 by Materials Project

description: CdGeP2 is Lavarevi\'{c}ite-like structured and crystallizes in the trigonal R3m space group. The structure is three-dimensional. Cd2+ is bonded to four P3- atoms to form CdP4 tetrahedra that share corners with six equivalent CdP4 tetrahedra and corners with six equivalent GeP4 tetrahedra. There are three shorter (2.49 Å) and one longer (2.62 Å) Cd–P bond lengths. Ge4+ is bonded to four P3- atoms to form GeP4 tetrahedra that share corners with six equivalent CdP4 tetrahedra and corners with six equivalent GeP4 tetrahedra. There are one shorter (2.26 Å) and three longer (2.52 Å) Ge–P bond lengths. There are two inequivalent P3- sites. In the first P3- site, P3- is bonded to one Cd2+ and three equivalent Ge4+ atoms to form corner-sharing PCdGe3 tetrahedra. In the second P3- site, P3- is bonded to three equivalent Cd2+ and one Ge4+ atom to form corner-sharing PCd3Ge tetrahedra.