cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1744841
title: Materials Data on CrBiO5 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: 10.17188/1744842
title: Materials Data on Ga40Mo8Au by Materials Project

description: Mo8AuGa40 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are two inequivalent Mo sites. In the first Mo site, Mo is bonded in a 10-coordinate geometry to one Au and nine Ga atoms. The Mo–Au bond length is 3.04 Å. There are a spread of Mo–Ga bond distances ranging from 2.61–2.68 Å. In the second Mo site, Mo is bonded in a distorted q6 geometry to ten Ga atoms. There are a spread of Mo–Ga bond distances ranging from 2.56–2.71 Å. Au is bonded in a distorted octahedral geometry to two equivalent Mo and six equivalent Ga atoms. All Au–Ga bond lengths are 2.78 Å. There are eight inequivalent Ga sites. In the first Ga site, Ga is bonded in a cuboctahedral geometry to twelve Ga atoms. There are six shorter (2.92 Å) and six longer (3.02 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a distorted linear geometry to two equivalent Mo atoms. In the third Ga site, Ga is bonded in a 2-coordinate geometry to two equivalent Mo and seven Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.72–2.98 Å. In the fourth Ga site, Ga is bonded in a distorted bent 150 degrees geometry to two equivalent Mo and two Ga atoms. In the fifth Ga site, Ga is bonded in a distorted bent 150 degrees geometry to two Mo and two Ga atoms. In the sixth Ga site, Ga is bonded in a 2-coordinate geometry to two equivalent Mo and two equivalent Ga atoms. In the seventh Ga site, Ga is bonded in a 2-coordinate geometry to two Mo and one Ga atom. In the eighth Ga site, Ga is bonded in a 8-coordinate geometry to two Mo, one Au, and two equivalent Ga atoms.
DOI: 10.17188/1744844
title: Materials Data on Nd3CoGe2 by Materials Project

description: Nd3CoGe2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Nd sites. In the first Nd site, Nd is bonded in a 6-coordinate geometry to one Co and five Ge atoms. The Nd–Co bond length is 2.88 Å. There are a spread of Nd–Ge bond distances ranging from 3.06–3.35 Å. In the second Nd site, Nd is bonded in a 7-coordinate geometry to two equivalent Co and five Ge atoms. Both Nd–Co bond lengths are 2.87 Å. There are a spread of Nd–Ge bond distances ranging from 3.04–3.67 Å. In the third Nd site, Nd is bonded in a 8-coordinate geometry to three equivalent Co and five Ge atoms. There are two shorter (3.07 Å) and one longer (3.12 Å) Nd–Co bond lengths. There are a spread of Nd–Ge bond distances ranging from 2.99–3.15 Å. Co is bonded in a 9-coordinate geometry to six Nd and three Ge atoms. There are one shorter (2.53 Å) and two longer (2.55 Å) Co–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to seven Nd and two equivalent Co atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to eight Nd and one Co atom.
DOI: 10.17188/1744845
title: Materials Data on LuCu(WO4)2 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: 10.17188/1744846
title: Materials Data on SmS2 by Materials Project

description: SmS2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Sm3+ is bonded in a 9-coordinate geometry to nine S+1.50- atoms. There are a spread of Sm–S bond distances ranging from 2.88–2.97 Å. There are two inequivalent S+1.50- sites. In the first S+1.50- site, S+1.50- is bonded in a 8-coordinate geometry to four equivalent Sm3+ and four equivalent S+1.50- atoms. All S–S bond lengths are 2.78 Å. In the second S+1.50- site, S+1.50- is bonded to five equivalent Sm3+ atoms to form a mixture of distorted edge and corner-sharing SSm5 trigonal bipyramids.
DOI: 10.17188/1744848
title: Materials Data on Li2GeN2 by Materials Project

description: Li2GeN2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a distorted trigonal planar geometry to four N3- atoms. There are a spread of Li–N bond distances ranging from 1.99–2.58 Å. In the second Li1+ site, Li1+ is bonded to five N3- atoms to form distorted LiN5 trigonal bipyramids that share corners with six equivalent GeN4 tetrahedra, corners with two equivalent LiN5 trigonal bipyramids, edges with two equivalent GeN4 tetrahedra, and edges with three equivalent LiN5 trigonal bipyramids. There are a spread of Li–N bond distances ranging from 2.24–2.41 Å. Ge4+ is bonded to four N3- atoms to form GeN4 tetrahedra that share corners with two equivalent GeN4 tetrahedra, corners with six equivalent LiN5 trigonal bipyramids, an edgeedge with one GeN4 tetrahedra, and edges with two equivalent LiN5 trigonal bipyramids. There are a spread of Ge–N bond distances ranging from 1.88–1.95 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a 7-coordinate geometry to five Li1+ and two equivalent Ge4+ atoms. In the second N3- site, N3- is bonded in a 6-coordinate geometry to four Li1+ and two equivalent Ge4+ atoms.
DOI: 10.17188/1744849
title: Materials Data on La(ClO)3 by Materials Project

description: La(OCl)3 crystallizes in the hexagonal P-62m space group. The structure is one-dimensional and consists of one La(OCl)3 ribbon oriented in the (0, 0, 1) direction. La is bonded in a 3-coordinate geometry to three equivalent O and six equivalent Cl atoms. All La–O bond lengths are 2.49 Å. All La–Cl bond lengths are 2.93 Å. O is bonded in a single-bond geometry to one La atom. Cl is bonded in an L-shaped geometry to two equivalent La atoms.
DOI: 10.17188/1744850
title: Materials Data on ZnFe(SiO3)2 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: 10.17188/1744851
title: Materials Data on Li4Co5(P3O11)2 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: 10.17188/1744852
title: Materials Data on Yb14AlSb11 by Materials Project

description: Yb14AlSb11 crystallizes in the tetragonal I4_1/acd space group. The structure is three-dimensional. there are four inequivalent Yb+2.14+ sites. In the first Yb+2.14+ site, Yb+2.14+ is bonded to six Sb3- atoms to form YbSb6 octahedra that share corners with four YbSb6 octahedra, corners with three equivalent YbSb6 pentagonal pyramids, corners with two equivalent AlSb4 tetrahedra, edges with two equivalent YbSb6 octahedra, edges with three equivalent YbSb6 pentagonal pyramids, faces with two YbSb6 octahedra, and a faceface with one YbSb6 pentagonal pyramid. The corner-sharing octahedra tilt angles range from 37–55°. There are a spread of Yb–Sb bond distances ranging from 3.20–3.26 Å. In the second Yb+2.14+ site, Yb+2.14+ is bonded to six Sb3- atoms to form YbSb6 octahedra that share corners with eight YbSb6 octahedra, corners with two equivalent YbSb6 pentagonal pyramids, corners with two equivalent AlSb4 tetrahedra, faces with two equivalent YbSb6 octahedra, and faces with four equivalent YbSb6 pentagonal pyramids. The corner-sharing octahedra tilt angles range from 39–55°. There are a spread of Yb–Sb bond distances ranging from 3.13–3.38 Å. In the third Yb+2.14+ site, Yb+2.14+ is bonded to six Sb3- atoms to form distorted YbSb6 pentagonal pyramids that share corners with four YbSb6 octahedra, corners with four equivalent YbSb6 pentagonal pyramids, edges with three equivalent YbSb6 octahedra, an edgeedge with one YbSb6 pentagonal pyramid, an edgeedge with one AlSb4 tetrahedra, faces with three YbSb6 octahedra, and a faceface with one YbSb6 pentagonal pyramid. The corner-sharing octahedra tilt angles range from 33–44°. There are a spread of Yb–Sb bond distances ranging from 3.19–3.72 Å. In the fourth Yb+2.14+ site, Yb+2.14+ is bonded in a 6-coordinate geometry to six Sb3- atoms. There are a spread of Yb–Sb bond distances ranging from 3.17–3.77 Å. Al3+ is bonded to four equivalent Sb3- atoms to form AlSb4 tetrahedra that share corners with twelve YbSb6 octahedra and edges with four equivalent YbSb6 pentagonal pyramids. The corner-sharing octahedra tilt angles range from 42–49°. All Al–Sb bond lengths are 2.73 Å. There are four inequivalent Sb3- sites. In the first Sb3- site, Sb3- is bonded in a 7-coordinate geometry to seven Yb+2.14+ and one Al3+ atom. In the second Sb3- site, Sb3- is bonded in a 10-coordinate geometry to eight Yb+2.14+ atoms. In the third Sb3- site, Sb3- is bonded in a 8-coordinate geometry to eight Yb+2.14+ atoms. In the fourth Sb3- site, Sb3- is bonded in a 8-coordinate geometry to eight Yb+2.14+ atoms.
DOI: 10.17188/1744853
title: Materials Data on TiNb by Materials Project

description: NbTi crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Ti is bonded in a distorted body-centered cubic geometry to four equivalent Ti and four equivalent Nb atoms. All Ti–Ti bond lengths are 2.84 Å. All Ti–Nb bond lengths are 2.84 Å. Nb is bonded in a distorted body-centered cubic geometry to four equivalent Ti and four equivalent Nb atoms. All Nb–Nb bond lengths are 2.84 Å.
DOI: 10.17188/1744854
title: Materials Data on Ho6GaNi2 by Materials Project

description: Ho6Ni2Ga crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are three inequivalent Ho sites. In the first Ho site, Ho is bonded in a 4-coordinate geometry to two Ni and two Ga atoms. There are one shorter (2.77 Å) and one longer (3.17 Å) Ho–Ni bond lengths. There are one shorter (2.99 Å) and one longer (3.21 Å) Ho–Ga bond lengths. In the second Ho site, Ho is bonded in a 4-coordinate geometry to three Ni and one Ga atom. There are one shorter (2.69 Å) and two longer (2.86 Å) Ho–Ni bond lengths. The Ho–Ga bond length is 3.33 Å. In the third Ho site, Ho is bonded in a 5-coordinate geometry to three Ni and two Ga atoms. There are two shorter (2.91 Å) and one longer (3.12 Å) Ho–Ni bond lengths. There are one shorter (3.15 Å) and one longer (3.62 Å) Ho–Ga bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 9-coordinate geometry to eight Ho and one Ni atom. The Ni–Ni bond length is 2.66 Å. In the second Ni site, Ni is bonded in a 9-coordinate geometry to eight Ho and one Ni atom. The Ni–Ni bond length is 2.39 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a body-centered cubic geometry to eight Ho atoms. In the second Ga site, Ga is bonded in a cuboctahedral geometry to twelve Ho atoms.
DOI: 10.17188/1744855
title: Materials Data on Fe3P4(H3O5)4 by Materials Project

description: Fe3P4(H3O5)4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Fe+2.67+ sites. In the first Fe+2.67+ site, Fe+2.67+ is bonded to six O2- atoms to form FeO6 octahedra that share corners with four PO4 tetrahedra. There are a spread of Fe–O bond distances ranging from 2.15–2.27 Å. In the second Fe+2.67+ site, Fe+2.67+ is bonded to six O2- atoms to form FeO6 octahedra that share corners with five PO4 tetrahedra. There are a spread of Fe–O bond distances ranging from 1.94–2.09 Å. There are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with four FeO6 octahedra. The corner-sharing octahedra tilt angles range from 38–49°. There are a spread of P–O bond distances ranging from 1.53–1.62 Å. In the second P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with three FeO6 octahedra. The corner-sharing octahedra tilt angles range from 16–53°. There are a spread of P–O bond distances ranging from 1.52–1.60 Å. There are six 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 0.98 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to two O2- atoms. There is one shorter (1.00 Å) and one longer (1.73 Å) H–O bond length. In the third 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 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 0.99 Å. In the sixth H1+ site, H1+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.03 Å) and one longer (1.60 Å) H–O bond length. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to one Fe+2.67+ and one P5+ atom. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to one P5+ and one H1+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one Fe+2.67+, one P5+, and one H1+ atom. In the fourth O2- site, O2- is bonded in a distorted water-like geometry to one Fe+2.67+ and two H1+ atoms. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to one Fe+2.67+ and one P5+ atom. In the sixth O2- site, O2- is bonded in a distorted water-like geometry to one Fe+2.67+ and two H1+ atoms. In the seventh O2- site, O2- is bonded in a 3-coordinate geometry to one Fe+2.67+, one P5+, and one H1+ atom. In the eighth O2- site, O2- is bonded in a bent 150 degrees geometry to one Fe+2.67+ and one P5+ atom. In the ninth O2- site, O2- is bonded in a bent 150 degrees geometry to one Fe+2.67+ and one P5+ atom. In the tenth O2- site, O2- is bonded in a trigonal planar geometry to one Fe+2.67+, one P5+, and one H1+ atom.
DOI: 10.17188/1744857
title: Materials Data on Li7Mn5O12 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: 10.17188/1744859
title: Materials Data on CoH4(BrO)2 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: 10.17188/1744860
title: Materials Data on Ti(PO5)2 by Materials Project

description: (TiP2O7)2(O2)3 crystallizes in the monoclinic P2_1 space group. The structure is two-dimensional and consists of six hydrogen peroxide molecules and two TiP2O7 sheets oriented in the (0, 0, 1) direction. In one of the TiP2O7 sheets, Ti is bonded to six O atoms to form TiO6 octahedra that share corners with four equivalent PO4 tetrahedra. There are a spread of Ti–O bond distances ranging from 1.90–2.04 Å. There are two inequivalent P sites. In the first P site, P is bonded to four O atoms to form PO4 tetrahedra that share corners with four equivalent TiO6 octahedra. The corner-sharing octahedra tilt angles range from 3–37°. There is two shorter (1.54 Å) and two longer (1.55 Å) P–O bond length. In the second P site, P is bonded in a trigonal planar geometry to three O atoms. There are a spread of P–O bond distances ranging from 1.47–1.51 Å. There are seven inequivalent O sites. In the first O site, O is bonded in a bent 150 degrees geometry to one Ti and one P atom. In the second O site, O is bonded in a linear geometry to one Ti and one P atom. In the third O site, O is bonded in a bent 150 degrees geometry to one Ti and one P atom. In the fourth O site, O is bonded in a linear geometry to one Ti and one P atom. In the fifth O site, O is bonded in a linear geometry to one Ti and one P atom. In the sixth O site, O is bonded in a bent 150 degrees geometry to one Ti and one P atom. In the seventh O site, O is bonded in a single-bond geometry to one P atom. In one of the TiP2O7 sheets, Ti is bonded to six O atoms to form TiO6 octahedra that share corners with four equivalent PO4 tetrahedra. There are a spread of Ti–O bond distances ranging from 1.89–2.06 Å. There are two inequivalent P sites. In the first P site, P is bonded to four O atoms to form PO4 tetrahedra that share corners with four equivalent TiO6 octahedra. The corner-sharing octahedra tilt angles range from 2–37°. There are a spread of P–O bond distances ranging from 1.53–1.55 Å. In the second P site, P is bonded in a trigonal planar geometry to three O atoms. There is one shorter (1.46 Å) and two longer (1.51 Å) P–O bond length. There are seven inequivalent O sites. In the first O site, O is bonded in a bent 150 degrees geometry to one Ti and one P atom. In the second O site, O is bonded in a linear geometry to one Ti and one P atom. In the third O site, O is bonded in a distorted bent 120 degrees geometry to one Ti and one P atom. In the fourth O site, O is bonded in a bent 120 degrees geometry to one Ti and one P atom. In the fifth O site, O is bonded in a single-bond geometry to one P atom. In the sixth O site, O is bonded in a bent 150 degrees geometry to one Ti and one P atom. In the seventh O site, O is bonded in a linear geometry to one Ti and one P atom.
DOI: 10.17188/1744861
title: Materials Data on K2BiPWO8 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: 10.17188/1744862
title: Materials Data on YHo3 by Materials Project

description: Ho3Y is Magnesium-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ho is bonded to eight equivalent Ho and four equivalent Y atoms to form HoY4Ho8 cuboctahedra that share corners with four equivalent YHo12 cuboctahedra, corners with fourteen equivalent HoY4Ho8 cuboctahedra, edges with six equivalent YHo12 cuboctahedra, edges with twelve equivalent HoY4Ho8 cuboctahedra, faces with four equivalent YHo12 cuboctahedra, and faces with sixteen equivalent HoY4Ho8 cuboctahedra. There are a spread of Ho–Ho bond distances ranging from 3.50–3.63 Å. There are two shorter (3.51 Å) and two longer (3.61 Å) Ho–Y bond lengths. Y is bonded to twelve equivalent Ho atoms to form YHo12 cuboctahedra that share corners with six equivalent YHo12 cuboctahedra, corners with twelve equivalent HoY4Ho8 cuboctahedra, edges with eighteen equivalent HoY4Ho8 cuboctahedra, faces with eight equivalent YHo12 cuboctahedra, and faces with twelve equivalent HoY4Ho8 cuboctahedra.
DOI: 10.17188/1744864
title: Materials Data on Cu4Au by Materials Project

description: AuCu4 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Au is bonded to six equivalent Au and six equivalent Cu atoms to form distorted AuCu6Au6 cuboctahedra that share corners with six equivalent AuCu6Au6 cuboctahedra, corners with six CuCu12 cuboctahedra, edges with six equivalent AuCu6Au6 cuboctahedra, edges with eighteen CuCu9Au3 cuboctahedra, faces with six equivalent AuCu6Au6 cuboctahedra, and faces with twelve equivalent CuCu9Au3 cuboctahedra. All Au–Au bond lengths are 2.71 Å. All Au–Cu bond lengths are 2.77 Å. There are six inequivalent Cu sites. In the first Cu site, Cu is bonded to three equivalent Au and nine Cu atoms to form distorted CuCu9Au3 cuboctahedra that share corners with twelve CuCu9Au3 cuboctahedra, edges with six equivalent AuCu6Au6 cuboctahedra, edges with eighteen CuCu9Au3 cuboctahedra, faces with six equivalent AuCu6Au6 cuboctahedra, and faces with twelve CuCu9Au3 cuboctahedra. There are three shorter (2.53 Å) and six longer (2.71 Å) Cu–Cu bond lengths. In the second Cu site, Cu is bonded to twelve Cu atoms to form CuCu12 cuboctahedra that share corners with three equivalent AuCu6Au6 cuboctahedra, corners with nine CuCu9Au3 cuboctahedra, edges with three equivalent AuCu6Au6 cuboctahedra, edges with twenty-one CuCu9Au3 cuboctahedra, and faces with eighteen CuCu9Au3 cuboctahedra. There are three shorter (2.52 Å) and six longer (2.71 Å) Cu–Cu bond lengths. In the third Cu site, Cu is bonded to twelve Cu atoms to form CuCu12 cuboctahedra that share corners with three equivalent AuCu6Au6 cuboctahedra, corners with nine CuCu9Au3 cuboctahedra, edges with three equivalent AuCu6Au6 cuboctahedra, edges with twenty-one CuCu9Au3 cuboctahedra, and faces with eighteen CuCu9Au3 cuboctahedra. There are three shorter (2.53 Å) and six longer (2.71 Å) Cu–Cu bond lengths. In the fourth Cu site, Cu is bonded to twelve Cu atoms to form CuCu12 cuboctahedra that share corners with three equivalent AuCu6Au6 cuboctahedra, corners with nine CuCu9Au3 cuboctahedra, edges with three equivalent AuCu6Au6 cuboctahedra, edges with twenty-one CuCu9Au3 cuboctahedra, and faces with eighteen CuCu9Au3 cuboctahedra. There are a spread of Cu–Cu bond distances ranging from 2.52–2.71 Å. In the fifth Cu site, Cu is bonded to twelve Cu atoms to form CuCu12 cuboctahedra that share corners with three equivalent AuCu6Au6 cuboctahedra, corners with nine CuCu9Au3 cuboctahedra, edges with three equivalent AuCu6Au6 cuboctahedra, edges with twenty-one CuCu9Au3 cuboctahedra, and faces with eighteen CuCu9Au3 cuboctahedra. There are three shorter (2.53 Å) and six longer (2.71 Å) Cu–Cu bond lengths. In the sixth Cu site, Cu is bonded to twelve Cu atoms to form CuCu12 cuboctahedra that share corners with three equivalent AuCu6Au6 cuboctahedra, corners with nine CuCu9Au3 cuboctahedra, edges with three equivalent AuCu6Au6 cuboctahedra, edges with twenty-one CuCu9Au3 cuboctahedra, and faces with eighteen CuCu9Au3 cuboctahedra. There are a spread of Cu–Cu bond distances ranging from 2.52–2.71 Å.
DOI: 10.17188/1744865
title: Materials Data on Be2CoOs by Materials Project

description: Be2OsCo crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Be2OsCo ribbons oriented in the (1, 0, 0) direction. Be is bonded in a linear geometry to one Os and one Co atom. The Be–Os bond length is 2.16 Å. The Be–Co bond length is 2.18 Å. Os is bonded in a linear geometry to two equivalent Be atoms. Co is bonded in a linear geometry to two equivalent Be atoms.