S105-benzene

Structure Type 105: C₆H₆ (Solid Benzene)

(C purple, H gray)

Crystal Structure Data

Spacegroup Symbol:
P b c a

Origin Offset:
(none)

Lattice Type:
P

Unit Cell Parameters

a [A]

b [A]

c [A]

alpha [deg]

beta [deg]

gamma [deg]

7.4400

9.5500

6.9200

90.000

90.000

90.000

Fractional Coordinates of Atoms in the Asymmetric Unit

Site Label

Element

x

y

z

C1

C

-0.0569

0.1387

-0.0054

C2

C

-0.1335

0.0460

0.1264

C3

C

-0.0774

-0.0925

0.1295

H1

H

-0.0976

0.2447

-0.0177

H2

H

-0.2409

0.0794

0.2218

H3

H

-0.1371

-0.1631

0.2312

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Spacegroup Symbol:	`P b c a`
Origin Offset:	`(none)`
Lattice Type:	`P`

Unit Cell Parameters
a [A]	b [A]	c [A]	alpha [deg]	beta [deg]	gamma [deg]
`7.4400`	`9.5500`	`6.9200`	`90.000`	`90.000`	`90.000`

Fractional Coordinates of Atoms in the Asymmetric Unit
Site Label	Element	x	y	z
`C1`	`C`	`-0.0569`	`0.1387`	`-0.0054`
`C2`	`C`	`-0.1335`	`0.0460`	`0.1264`
`C3`	`C`	`-0.0774`	`-0.0925`	`0.1295`
`H1`	`H`	`-0.0976`	`0.2447`	`-0.0177`
`H2`	`H`	`-0.2409`	`0.0794`	`0.2218`
`H3`	`H`	`-0.1371`	`-0.1631`	`0.2312`