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At least 1,351 records · Page 75

Materials Data on BePd2 by Materials Project

BePd2 crystallizes in the tetragonal I4/mmm space group. The structure is two-dimensional and consists of two BePd2 sheets oriented in the (0, 0, 1) direction. Be is bonded in a body-centered cubic geometry to eight equivalent Pd atoms. All Be–Pd bond lengths are 2.42 Å. Pd is bonded in a 4-coordinate geometry to four equivalent Be atoms.

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Materials Data on BePd3 by Materials Project

BePd3 crystallizes in the orthorhombic Cmcm space group. The structure is two-dimensional and consists of two BePd3 sheets oriented in the (0, 1, 0) direction. Be is bonded in a 6-coordinate geometry to eight Pd atoms. There are six shorter (2.31 Å) and two longer (2.65 Å) Be–Pd bond lengths. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a distorted L-shaped geometry to two equivalent Be atoms. In the second Pd site, Pd is bonded in a 3-coordinate geometry to three equivalent Be atoms.

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Materials Data on Tb2Mg by Materials Project

MgTb2 crystallizes in the tetragonal I4/mmm space group. The structure is two-dimensional and consists of two MgTb2 sheets oriented in the (0, 0, 1) direction. Mg is bonded in a body-centered cubic geometry to eight equivalent Tb atoms. All Mg–Tb bond lengths are 3.32 Å. Tb is bonded in a 12-coordinate geometry to four equivalent Mg atoms.

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Materials Data on PdS2 by Materials Project

PdS2 crystallizes in the orthorhombic Pbca space group. The structure is two-dimensional and consists of two PdS2 sheets oriented in the (0, 0, 1) direction. Pd4+ is bonded in a square co-planar geometry to four equivalent S2- atoms. There are two shorter (2.34 Å) and two longer (2.35 Å) Pd–S bond lengths. S2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Pd4+ and one S2- atom. The S–S bond length is 2.10 Å.

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Materials Data on Sn3Pd by Materials Project

PdSn3 crystallizes in the orthorhombic Cmce space group. The structure is two-dimensional and consists of two PdSn3 sheets oriented in the (0, 1, 0) direction. Pd is bonded in a 9-coordinate geometry to eight Sn atoms. There are a spread of Pd–Sn bond distances ranging from 2.83–2.89 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 4-coordinate geometry to four equivalent Pd and one Sn atom. The Sn–Sn bond length is 3.00 Å. In the second Sn site, Sn is bonded in a 2-coordinate geometry to two equivalent Pd atoms.

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Materials Data on SnS by Materials Project

SnS crystallizes in the orthorhombic Cmcm space group. The structure is two-dimensional and consists of two SnS sheets oriented in the (0, 1, 0) direction. Sn2+ is bonded in a rectangular see-saw-like geometry to four equivalent S2- atoms. There are two shorter (2.61 Å) and two longer (2.93 Å) Sn–S bond lengths. S2- is bonded in a distorted rectangular see-saw-like geometry to four equivalent Sn2+ atoms.

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Materials Data on Sn4Au by Materials Project

AuSn4 crystallizes in the orthorhombic Aea2 space group. The structure is two-dimensional and consists of two AuSn4 sheets oriented in the (0, 1, 0) direction. Au is bonded in a 8-coordinate geometry to eight Sn atoms. There are a spread of Au–Sn bond distances ranging from 2.89–2.97 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a distorted water-like geometry to two equivalent Au atoms. In the second Sn site, Sn is bonded in a distorted water-like geometry to two equivalent Au atoms.

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Materials Data on HfSiTe by Materials Project

HfSiTe crystallizes in the tetragonal P4/nmm space group. The structure is two-dimensional and consists of one HfSiTe sheet oriented in the (0, 0, 1) direction. Hf is bonded in a 8-coordinate geometry to four equivalent Si and four equivalent Te atoms. All Hf–Si bond lengths are 2.79 Å. All Hf–Te bond lengths are 2.94 Å. Si is bonded in a 8-coordinate geometry to four equivalent Hf and four equivalent Si atoms. All Si–Si bond lengths are 2.59 Å. Te is bonded in a 4-coordinate geometry to four equivalent Hf atoms.

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Materials Data on NbF4 by Materials Project

NbF4 crystallizes in the tetragonal I4/mmm space group. The structure is two-dimensional and consists of two NbF4 sheets oriented in the (0, 0, 1) direction. Nb4+ is bonded to six F1- atoms to form corner-sharing NbF6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (1.91 Å) and four longer (2.09 Å) Nb–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Nb4+ atom. In the second F1- site, F1- is bonded in a linear geometry to two equivalent Nb4+ atoms.

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Materials Data on Ta2PtSe7 by Materials Project

Ta2PtSe7 crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of two Ta2PtSe7 sheets oriented in the (1, 0, 0) direction. there are two inequivalent Ta5+ sites. In the first Ta5+ site, Ta5+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Ta–Se bond distances ranging from 2.64–2.78 Å. In the second Ta5+ site, Ta5+ is bonded to six Se2- atoms to form TaSe6 octahedra that share edges with two equivalent PtSe6 octahedra and edges with four equivalent TaSe6 octahedra. There are a spread of Ta–Se bond distances ranging from 2.51–2.73 Å. Pt4+ is bonded to six Se2- atoms to form PtSe6 octahedra that share edges with two equivalent TaSe6 octahedra and edges with two equivalent PtSe6 octahedra. There are a spread of Pt–Se bond distances ranging from 2.53–2.72 Å. There are seven inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a distorted trigonal non-coplanar geometry to one Ta5+ and two equivalent Pt4+ atoms. In the second Se2- site, Se2- is bonded in a distorted trigonal non-coplanar geometry to three equivalent Ta5+ atoms. In the third Se2- site, Se2- is bonded in a distorted L-shaped geometry to two equivalent Ta5+ atoms. In the fourth Se2- site, Se2- is bonded in a 3-coordinate geometry to three equivalent Ta5+ atoms. In the fifth Se2- site, Se2- is bonded in a 3-coordinate geometry to two equivalent Ta5+ and one Pt4+ atom. In the sixth Se2- site, Se2- is bonded in a 3-coordinate geometry to one Ta5+ and two equivalent Pt4+ atoms. In the seventh Se2- site, Se2- is bonded in a 3-coordinate geometry to two equivalent Ta5+ and one Pt4+ atom.

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Materials Data on TaTe5Pt by Materials Project

TaPtTe5 crystallizes in the orthorhombic Cmcm space group. The structure is two-dimensional and consists of two TaPtTe5 sheets oriented in the (0, 1, 0) direction. Ta5+ is bonded in a 8-coordinate geometry to eight Te2- atoms. There are a spread of Ta–Te bond distances ranging from 2.87–2.94 Å. Pt5+ is bonded to six Te2- atoms to form edge-sharing PtTe6 octahedra. All Pt–Te bond lengths are 2.72 Å. There are three inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a distorted L-shaped geometry to two equivalent Ta5+ atoms. In the second Te2- site, Te2- is bonded in a 3-coordinate geometry to one Ta5+ and two equivalent Pt5+ atoms. In the third Te2- site, Te2- is bonded in a 3-coordinate geometry to two equivalent Ta5+ and one Pt5+ atom.

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Materials Data on Re3B by Materials Project

Re3B crystallizes in the orthorhombic Cmcm space group. The structure is two-dimensional and consists of two Re3B sheets oriented in the (0, 1, 0) direction. there are two inequivalent Re sites. In the first Re site, Re is bonded in a 2-coordinate geometry to three equivalent B atoms. There are two shorter (2.25 Å) and one longer (2.59 Å) Re–B bond lengths. In the second Re site, Re is bonded in a distorted L-shaped geometry to two equivalent B atoms. Both Re–B bond lengths are 2.22 Å. B is bonded in a 6-coordinate geometry to eight Re atoms.

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Materials Data on YBC by Materials Project

YBC crystallizes in the orthorhombic Cmmm space group. The structure is two-dimensional and consists of four YBC sheets oriented in the (0, 1, 0) direction. Y is bonded in a distorted square co-planar geometry to four equivalent C atoms. All Y–C bond lengths are 2.45 Å. B is bonded in a single-bond geometry to one C atom. The B–C bond length is 1.49 Å. C is bonded in a distorted single-bond geometry to four equivalent Y and one B atom.

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Materials Data on CuSiO3 by Materials Project

CuSiO3 crystallizes in the orthorhombic Pmma space group. The structure is two-dimensional and consists of one CuSiO3 sheet oriented in the (0, 1, 0) direction. Cu2+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Cu–O bond lengths are 1.93 Å. Si4+ is bonded to four O2- atoms to form corner-sharing SiO4 tetrahedra. There is two shorter (1.64 Å) and two longer (1.67 Å) Si–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent Si4+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Cu2+ and one Si4+ atom.

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Materials Data on GeAs2 by Materials Project

GeAs2 crystallizes in the orthorhombic Pbam space group. The structure is two-dimensional and consists of two GeAs2 sheets oriented in the (0, 0, 1) direction. there are two inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded to four As2- atoms to form corner-sharing GeAs4 tetrahedra. There are a spread of Ge–As bond distances ranging from 2.47–2.49 Å. In the second Ge4+ site, Ge4+ is bonded to four As2- atoms to form corner-sharing GeAs4 tetrahedra. There are a spread of Ge–As bond distances ranging from 2.48–2.54 Å. There are four inequivalent As2- sites. In the first As2- site, As2- is bonded in a distorted T-shaped geometry to three Ge4+ atoms. In the second As2- site, As2- is bonded in a 1-coordinate geometry to one Ge4+ and two equivalent As2- atoms. Both As–As bond lengths are 2.53 Å. In the third As2- site, As2- is bonded in a distorted trigonal non-coplanar geometry to one Ge4+ and two equivalent As2- atoms. In the fourth As2- site, As2- is bonded in a distorted trigonal non-coplanar geometry to three Ge4+ atoms.

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Materials Data on Cu2Te by Materials Project

Cu2Te crystallizes in the hexagonal P6/mmm space group. The structure is two-dimensional and consists of one Cu2Te sheet oriented in the (0, 0, 1) direction. Cu1+ is bonded in a 7-coordinate geometry to four equivalent Cu1+ and three equivalent Te2- atoms. There are three shorter (2.48 Å) and one longer (2.59 Å) Cu–Cu bond lengths. All Cu–Te bond lengths are 2.67 Å. Te2- is bonded in a 6-coordinate geometry to six equivalent Cu1+ atoms.

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Materials Data on SiAs by Materials Project

SiAs crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of one SiAs sheet oriented in the (2, 0, -1) direction. there are three inequivalent Si sites. In the first Si site, Si is bonded to one Si and three As atoms to form distorted corner-sharing SiSiAs3 tetrahedra. The Si–Si bond length is 2.35 Å. There are one shorter (2.40 Å) and two longer (2.41 Å) Si–As bond lengths. In the second Si site, Si is bonded to one Si and three As atoms to form corner-sharing SiSiAs3 tetrahedra. There are one shorter (2.40 Å) and two longer (2.41 Å) Si–As bond lengths. In the third Si site, Si is bonded to one Si and three As atoms to form corner-sharing SiSiAs3 tetrahedra. The Si–Si bond length is 2.36 Å. There are two shorter (2.42 Å) and one longer (2.43 Å) Si–As bond lengths. There are three inequivalent As sites. In the first As site, As is bonded in a distorted T-shaped geometry to three Si atoms. In the second As site, As is bonded in a distorted T-shaped geometry to three Si atoms. In the third As site, As is bonded in a distorted T-shaped geometry to three Si atoms.

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Materials Data on SmS by Materials Project

SmS crystallizes in the tetragonal I4/mmm space group. The structure is two-dimensional and consists of two SmS sheets oriented in the (0, 0, 1) direction. Sm2+ is bonded to five equivalent S2- atoms to form a mixture of distorted corner and edge-sharing SmS5 square pyramids. There are four shorter (2.81 Å) and one longer (2.84 Å) Sm–S bond lengths. S2- is bonded to five equivalent Sm2+ atoms to form a mixture of corner and edge-sharing SSm5 square pyramids.

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