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At least 1,459 records · Page 81

Materials Data on OsCl2O by Materials Project

OsOCl2 crystallizes in the orthorhombic Immm space group. The structure is two-dimensional and consists of two OsOCl2 sheets oriented in the (0, 0, 1) direction. Os4+ is bonded to two equivalent O2- and four equivalent Cl1- atoms to form a mixture of edge and corner-sharing OsCl4O2 octahedra. The corner-sharing octahedral tilt angles are 0°. Both Os–O bond lengths are 1.86 Å. All Os–Cl bond lengths are 2.41 Å. O2- is bonded in a linear geometry to two equivalent Os4+ atoms. Cl1- is bonded in a water-like geometry to two equivalent Os4+ atoms.

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Materials Data on BaTe2F10 by Materials Project

BaTe2F10 crystallizes in the monoclinic C2/c space group. The structure is two-dimensional and consists of two BaTe2F10 sheets oriented in the (1, 0, 0) direction. Ba2+ is bonded to twelve F1- atoms to form distorted edge-sharing BaF12 cuboctahedra. There are a spread of Ba–F bond distances ranging from 2.74–3.09 Å. Te4+ is bonded in a 5-coordinate geometry to five F1- atoms. There are a spread of Te–F bond distances ranging from 1.94–2.07 Å. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Te4+ atom. In the second F1- site, F1- is bonded in a 2-coordinate geometry to one Ba2+ and one Te4+ atom. In the third F1- site, F1- is bonded in a 1-coordinate geometry to two equivalent Ba2+ and one Te4+ atom. In the fourth F1- site, F1- is bonded in a distorted single-bond geometry to one Ba2+ and one Te4+ atom. In the fifth F1- site, F1- is bonded in a distorted single-bond geometry to two equivalent Ba2+ and one Te4+ atom.

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Materials Data on Li2Ga by Materials Project

Li2Ga crystallizes in the orthorhombic Cmcm space group. The structure is two-dimensional and consists of two Li2Ga sheets oriented in the (0, 1, 0) direction. there are two inequivalent Li sites. In the first Li site, Li is bonded in a distorted water-like geometry to two equivalent Ga atoms. Both Li–Ga bond lengths are 2.75 Å. In the second Li site, Li is bonded in a 4-coordinate geometry to four equivalent Ga atoms. There are two shorter (2.67 Å) and two longer (2.82 Å) Li–Ga bond lengths. Ga is bonded in a 6-coordinate geometry to six Li atoms.

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Materials Data on GeAsSe by Materials Project

GeAsSe crystallizes in the orthorhombic Pnna space group. The structure is two-dimensional and consists of two GeAsSe sheets oriented in the (0, 0, 1) direction. there are two inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded to two equivalent As2- and two equivalent Se2- atoms to form corner-sharing GeAs2Se2 tetrahedra. Both Ge–As bond lengths are 2.51 Å. Both Ge–Se bond lengths are 2.39 Å. In the second Ge4+ site, Ge4+ is bonded to two equivalent As2- and two equivalent Se2- atoms to form corner-sharing GeAs2Se2 tetrahedra. Both Ge–As bond lengths are 2.50 Å. Both Ge–Se bond lengths are 2.41 Å. As2- is bonded in a distorted trigonal non-coplanar geometry to two Ge4+ and one As2- atom. The As–As bond length is 2.49 Å. Se2- is bonded in an L-shaped geometry to two Ge4+ atoms.

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Materials Data on PrIO by Materials Project

IOPr crystallizes in the tetragonal P4/nmm space group. The structure is two-dimensional and consists of one IOPr sheet oriented in the (0, 0, 1) direction. Pr3+ is bonded in a 4-coordinate geometry to four equivalent O2- and four equivalent I1- atoms. All Pr–O bond lengths are 2.38 Å. All Pr–I bond lengths are 3.49 Å. O2- is bonded to four equivalent Pr3+ atoms to form a mixture of edge and corner-sharing OPr4 tetrahedra. I1- is bonded in a 4-coordinate geometry to four equivalent Pr3+ atoms.

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Materials Data on Ta3Br7 by Materials Project

Ta3Br7 crystallizes in the orthorhombic Cmce space group. The structure is two-dimensional and consists of two Ta3Br7 sheets oriented in the (0, 1, 0) direction. there are two inequivalent Ta sites. In the first Ta site, Ta is bonded in a distorted square co-planar geometry to four Br atoms. There are two shorter (2.60 Å) and two longer (2.61 Å) Ta–Br bond lengths. In the second Ta site, Ta is bonded to five Br atoms to form distorted corner-sharing TaBr5 square pyramids. There are a spread of Ta–Br bond distances ranging from 2.61–2.88 Å. There are five inequivalent Br sites. In the first Br site, Br is bonded in a 2-coordinate geometry to two equivalent Ta atoms. In the second Br site, Br is bonded in a 2-coordinate geometry to two equivalent Ta atoms. In the third Br site, Br is bonded in a 2-coordinate geometry to two Ta atoms. In the fourth Br site, Br is bonded in a distorted bent 150 degrees geometry to two equivalent Ta atoms. In the fifth Br site, Br is bonded in a 2-coordinate geometry to two Ta atoms.

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Materials Data on WBr2 by Materials Project

WBr2 crystallizes in the orthorhombic Cmce space group. The structure is two-dimensional and consists of two WBr2 sheets oriented in the (0, 1, 0) direction. there are two inequivalent W2+ sites. In the first W2+ site, W2+ is bonded to five Br1- atoms to form a mixture of edge and corner-sharing WBr5 square pyramids. There are four shorter (2.65 Å) and one longer (2.71 Å) W–Br bond lengths. In the second W2+ site, W2+ is bonded to five Br1- atoms to form edge-sharing WBr5 square pyramids. There are one shorter (2.58 Å) and four longer (2.66 Å) W–Br bond lengths. There are four inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 5-coordinate geometry to three W2+ atoms. In the second Br1- site, Br1- is bonded in a 12-coordinate geometry to three W2+ atoms. In the third Br1- site, Br1- is bonded in a distorted bent 150 degrees geometry to two equivalent W2+ atoms. In the fourth Br1- site, Br1- is bonded in a single-bond geometry to one W2+ atom.

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Materials Data on Ge7F16 by Materials Project

Ge7F16 crystallizes in the monoclinic Cc space group. The structure is two-dimensional and consists of two Ge7F16 sheets oriented in the (1, 0, 0) direction. there are seven inequivalent Ge+2.29+ sites. In the first Ge+2.29+ site, Ge+2.29+ is bonded in a 3-coordinate geometry to three F1- atoms. There are a spread of Ge–F bond distances ranging from 1.95–2.01 Å. In the second Ge+2.29+ site, Ge+2.29+ is bonded in a rectangular see-saw-like geometry to four F1- atoms. There are a spread of Ge–F bond distances ranging from 1.85–2.34 Å. In the third Ge+2.29+ site, Ge+2.29+ is bonded in a distorted T-shaped geometry to three F1- atoms. There are a spread of Ge–F bond distances ranging from 1.84–2.02 Å. In the fourth Ge+2.29+ site, Ge+2.29+ is bonded in a distorted rectangular see-saw-like geometry to four F1- atoms. There are a spread of Ge–F bond distances ranging from 1.88–2.58 Å. In the fifth Ge+2.29+ site, Ge+2.29+ is bonded in a distorted rectangular see-saw-like geometry to four F1- atoms. There are a spread of Ge–F bond distances ranging from 1.96–2.34 Å. In the sixth Ge+2.29+ site, Ge+2.29+ is bonded in a 5-coordinate geometry to five F1- atoms. There are a spread of Ge–F bond distances ranging from 1.90–2.64 Å. In the seventh Ge+2.29+ site, Ge+2.29+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of Ge–F bond distances ranging from 1.81–1.90 Å. There are sixteen inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Ge+2.29+ atom. In the second F1- site, F1- is bonded in a bent 150 degrees geometry to two Ge+2.29+ atoms. In the third F1- site, F1- is bonded in a single-bond geometry to one Ge+2.29+ atom. In the fourth F1- site, F1- is bonded in a bent 150 degrees geometry to two Ge+2.29+ atoms. In the fifth F1- site, F1- is bonded in a single-bond geometry to one Ge+2.29+ atom. In the sixth F1- site, F1- is bonded in a single-bond geometry to two Ge+2.29+ atoms. In the seventh F1- site, F1- is bonded in a bent 150 degrees geometry to two Ge+2.29+ atoms. In the eighth F1- site, F1- is bonded in a distorted bent 120 degrees geometry to two Ge+2.29+ atoms. In the ninth F1- site, F1- is bonded in a bent 150 degrees geometry to two Ge+2.29+ atoms. In the tenth F1- site, F1- is bonded in a distorted single-bond geometry to two Ge+2.29+ atoms. In the eleventh F1- site, F1- is bonded in a bent 150 degrees geometry to two Ge+2.29+ atoms. In the twelfth F1- site, F1- is bonded in a 1-coordinate geometry to two Ge+2.29+ atoms. In the thirteenth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two Ge+2.29+ atoms. In the fourteenth F1- site, F1- is bonded in a distorted bent 120 degrees geometry to two Ge+2.29+ atoms. In the fifteenth F1- site, F1- is bonded in a distorted bent 120 degrees geometry to two Ge+2.29+ atoms. In the sixteenth F1- site, F1- is bonded in a bent 150 degrees geometry to two Ge+2.29+ atoms.

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Materials Data on Hg2TeO3 by Materials Project

Hg2TeO3 crystallizes in the orthorhombic Pma2 space group. The structure is two-dimensional and consists of one Hg2TeO3 sheet oriented in the (0, 1, 0) direction. Hg1+ is bonded in a 1-coordinate geometry to two equivalent O2- atoms. There are one shorter (2.19 Å) and one longer (2.78 Å) Hg–O bond lengths. Te4+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Te–O bond distances ranging from 1.87–2.91 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Hg1+ and two equivalent Te4+ atoms. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Te4+ atom.

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Materials Data on MoBr2 by Materials Project

MoBr2 crystallizes in the orthorhombic Cmce space group. The structure is two-dimensional and consists of two MoBr2 sheets oriented in the (0, 1, 0) direction. there are two inequivalent Mo2+ sites. In the first Mo2+ site, Mo2+ is bonded to five Br1- atoms to form a mixture of edge and corner-sharing MoBr5 square pyramids. There are a spread of Mo–Br bond distances ranging from 2.62–2.70 Å. In the second Mo2+ site, Mo2+ is bonded to five Br1- atoms to form edge-sharing MoBr5 square pyramids. There are one shorter (2.58 Å) and four longer (2.63 Å) Mo–Br bond lengths. There are four inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 11-coordinate geometry to three Mo2+ atoms. In the second Br1- site, Br1- is bonded in a 12-coordinate geometry to three Mo2+ atoms. In the third Br1- site, Br1- is bonded in a distorted bent 150 degrees geometry to two equivalent Mo2+ atoms. In the fourth Br1- site, Br1- is bonded in a single-bond geometry to one Mo2+ atom.

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Materials Data on KC60 by Materials Project

KC60 crystallizes in the orthorhombic Pnnm space group. The structure is two-dimensional and consists of two KC60 sheets oriented in the (0, 0, 1) direction. K1+ is bonded in a 4-coordinate geometry to four equivalent C+0.02- atoms. All K–C bond lengths are 3.50 Å. There are sixteen inequivalent C+0.02- sites. In the first C+0.02- site, C+0.02- is bonded in a trigonal planar geometry to three C+0.02- atoms. There are a spread of C–C bond distances ranging from 1.40–1.45 Å. In the second C+0.02- site, C+0.02- is bonded to four C+0.02- atoms to form edge-sharing CC4 tetrahedra. There is two shorter (1.52 Å) and two longer (1.60 Å) C–C bond length. In the third C+0.02- site, C+0.02- is bonded in a trigonal planar geometry to three C+0.02- atoms. There is one shorter (1.40 Å) and two longer (1.45 Å) C–C bond length. In the fourth C+0.02- site, C+0.02- is bonded in a trigonal planar geometry to three C+0.02- atoms. Both C–C bond lengths are 1.45 Å. In the fifth C+0.02- site, C+0.02- is bonded in a trigonal planar geometry to three C+0.02- atoms. There are a spread of C–C bond distances ranging from 1.41–1.45 Å. In the sixth C+0.02- site, C+0.02- is bonded in a trigonal planar geometry to three C+0.02- atoms. Both C–C bond lengths are 1.45 Å. In the seventh C+0.02- site, C+0.02- is bonded in a trigonal planar geometry to three C+0.02- atoms. There is one shorter (1.39 Å) and one longer (1.43 Å) C–C bond length. In the eighth C+0.02- site, C+0.02- is bonded in a trigonal planar geometry to three C+0.02- atoms. There is one shorter (1.41 Å) and one longer (1.44 Å) C–C bond length. In the ninth C+0.02- site, C+0.02- is bonded in a trigonal planar geometry to three C+0.02- atoms. There is one shorter (1.41 Å) and two longer (1.45 Å) C–C bond length. In the tenth C+0.02- site, C+0.02- is bonded in a trigonal planar geometry to three C+0.02- atoms. The C–C bond length is 1.47 Å. In the eleventh C+0.02- site, C+0.02- is bonded in a trigonal planar geometry to three C+0.02- atoms. In the twelfth C+0.02- site, C+0.02- is bonded in a trigonal planar geometry to three C+0.02- atoms. The C–C bond length is 1.45 Å. In the thirteenth C+0.02- site, C+0.02- is bonded in a trigonal planar geometry to one K1+ and three C+0.02- atoms. The C–C bond length is 1.39 Å. In the fourteenth C+0.02- site, C+0.02- is bonded in a trigonal planar geometry to three C+0.02- atoms. In the fifteenth C+0.02- site, C+0.02- is bonded in a trigonal planar geometry to three C+0.02- atoms. In the sixteenth C+0.02- site, C+0.02- is bonded in a trigonal planar geometry to three C+0.02- atoms. The C–C bond length is 1.40 Å.

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Materials Data on Bi2SeO5 by Materials Project

Bi2SeO5 crystallizes in the orthorhombic Aem2 space group. The structure is two-dimensional and consists of one Bi2SeO5 sheet oriented in the (0, 0, 1) direction. there are three inequivalent Bi3+ sites. In the first Bi3+ site, Bi3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Bi–O bond distances ranging from 2.22–2.90 Å. In the second Bi3+ site, Bi3+ is bonded in a distorted square pyramidal geometry to five O2- atoms. There are a spread of Bi–O bond distances ranging from 2.09–2.42 Å. In the third Bi3+ site, Bi3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Bi–O bond distances ranging from 2.26–2.99 Å. Se4+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There are a spread of Se–O bond distances ranging from 1.72–1.76 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to four Bi3+ atoms. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Bi3+ and one Se4+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Bi3+ and one Se4+ atom. In the fourth O2- site, O2- is bonded to four equivalent Bi3+ atoms to form a mixture of corner and edge-sharing OBi4 tetrahedra. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to three Bi3+ and one Se4+ atom. In the sixth O2- site, O2- is bonded to four Bi3+ atoms to form a mixture of distorted corner and edge-sharing OBi4 tetrahedra.

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Materials Data on Y2B3C2 by Materials Project

Y2B3C2 crystallizes in the orthorhombic Cmmm space group. The structure is two-dimensional and consists of two Y2B3C2 sheets oriented in the (0, 1, 0) direction. Y is bonded in a 4-coordinate geometry to four equivalent C atoms. All Y–C bond lengths are 2.53 Å. There are two inequivalent B sites. In the first B site, B is bonded in a single-bond geometry to one C atom. The B–C bond length is 1.54 Å. In the second B site, B is bonded in a linear geometry to two equivalent C atoms. Both B–C bond lengths are 1.44 Å. C is bonded in a distorted linear geometry to four equivalent Y and two B atoms.

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Materials Data on TlTeF5 by Materials Project

TlTeF5 crystallizes in the orthorhombic Pnma space group. The structure is two-dimensional and consists of two TlTeF5 sheets oriented in the (0, 0, 1) direction. Tl1+ is bonded in a 11-coordinate geometry to eleven F1- atoms. There are a spread of Tl–F bond distances ranging from 2.90–3.39 Å. Te4+ is bonded in a square pyramidal geometry to five F1- atoms. There are a spread of Te–F bond distances ranging from 1.93–2.03 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to one Tl1+ and one Te4+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to three equivalent Tl1+ and one Te4+ atom. In the third F1- site, F1- is bonded in a 1-coordinate geometry to three equivalent Tl1+ and one Te4+ atom.

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Materials Data on LiNb6Cl19 by Materials Project

LiNb6Cl19 crystallizes in the orthorhombic Pmma space group. The structure is two-dimensional and consists of one LiNb6Cl19 sheet oriented in the (0, 1, 0) direction. Li1+ is bonded to six Cl1- atoms to form LiCl6 octahedra that share edges with four equivalent NbCl6 octahedra. There are four shorter (2.53 Å) and two longer (2.65 Å) Li–Cl bond lengths. There are two inequivalent Nb3+ sites. In the first Nb3+ site, Nb3+ is bonded to six Cl1- atoms to form NbCl6 octahedra that share an edgeedge with one LiCl6 octahedra and edges with three NbCl6 octahedra. There are a spread of Nb–Cl bond distances ranging from 2.41–2.62 Å. In the second Nb3+ site, Nb3+ is bonded to six Cl1- atoms to form a mixture of edge and face-sharing NbCl6 octahedra. There are a spread of Nb–Cl bond distances ranging from 2.41–2.57 Å. There are eight inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 2-coordinate geometry to two equivalent Nb3+ atoms. In the second Cl1- site, Cl1- is bonded in an L-shaped geometry to two equivalent Nb3+ atoms. In the third Cl1- site, Cl1- is bonded in an L-shaped geometry to two equivalent Nb3+ atoms. In the fourth Cl1- site, Cl1- is bonded in a water-like geometry to one Li1+ and one Nb3+ atom. In the fifth Cl1- site, Cl1- is bonded in a water-like geometry to two equivalent Nb3+ atoms. In the sixth Cl1- site, Cl1- is bonded in a distorted T-shaped geometry to one Li1+ and two equivalent Nb3+ atoms. In the seventh Cl1- site, Cl1- is bonded in a 3-coordinate geometry to three Nb3+ atoms. In the eighth Cl1- site, Cl1- is bonded in a 2-coordinate geometry to two Nb3+ atoms.

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Materials Data on AuSO4 by Materials Project

AuSO4 crystallizes in the orthorhombic Pbca space group. The structure is two-dimensional and consists of two AuSO4 sheets oriented in the (0, 0, 1) direction. Au2+ is bonded in a T-shaped geometry to three O2- atoms. There are two shorter (2.04 Å) and one longer (2.17 Å) Au–O bond lengths. S6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of S–O bond distances ranging from 1.43–1.54 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one S6+ atom. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to one Au2+ and one S6+ atom. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Au2+ and one S6+ atom. In the fourth O2- site, O2- is bonded in a bent 120 degrees geometry to one Au2+ and one S6+ atom.

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Materials Data on NaCN by Materials Project

NaCN crystallizes in the orthorhombic Pmmn space group. The structure is two-dimensional and consists of one NaCN sheet oriented in the (0, 1, 0) direction. Na1+ is bonded in a distorted rectangular see-saw-like geometry to four equivalent N3- atoms. There are two shorter (2.51 Å) and two longer (2.83 Å) Na–N bond lengths. C2+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.18 Å. N3- is bonded in a 1-coordinate geometry to four equivalent Na1+ and one C2+ atom.

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Materials Data on PrTe2Se by Materials Project

PrSeTe2 crystallizes in the orthorhombic Cmcm space group. The structure is two-dimensional and consists of two PrSeTe2 sheets oriented in the (0, 1, 0) direction. Pr4+ is bonded in a 5-coordinate geometry to four Te1- and five equivalent Se2- atoms. All Pr–Te bond lengths are 3.44 Å. There are one shorter (3.04 Å) and four longer (3.13 Å) Pr–Se bond lengths. There are two inequivalent Te1- sites. In the first Te1- site, Te1- is bonded in a 6-coordinate geometry to two equivalent Pr4+ and four equivalent Te1- atoms. All Te–Te bond lengths are 3.05 Å. In the second Te1- site, Te1- is bonded in a 6-coordinate geometry to two equivalent Pr4+ and four equivalent Te1- atoms. Se2- is bonded to five equivalent Pr4+ atoms to form a mixture of distorted corner and edge-sharing SePr5 trigonal bipyramids.

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