S064-TBCCO2201

Structure Type 064: Tl₂Ba₂CuO_6+x (TBCCO2201)

(Cu blue, Tl dark blue, O red, Ba green)

Crystal Structure Data

Spacegroup Symbol:
I 4/m m m

Origin Offset:
(none)

Lattice Type:
I

Unit Cell Parameters
a [A]	b [A]	c [A]	alpha [deg]	beta [deg]	gamma [deg]
`3.8660`	`3.8660`	`23.2390`	`90.000`	`90.000`	`90.000`

Fractional Coordinates of Atoms in the Asymmetric Unit

Site Label

Element

x

y

z

Ba

Ba

0.0000

0.0000

0.0830

Cu

Cu

0.5000

0.5000

0.0000

O

O

0.0000

0.5000

0.0000

O

O

0.5000

0.5000

0.1160

O

O

0.5000

0.5000

0.2880

Tl

Tl

0.5000

0.5000

0.2020

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Spacegroup Symbol:	`I 4/m m m`
Origin Offset:	`(none)`
Lattice Type:	`I`

Fractional Coordinates of Atoms in the Asymmetric Unit
Site Label	Element	x	y	z
`Ba`	`Ba`	`0.0000`	`0.0000`	`0.0830`
`Cu`	`Cu`	`0.5000`	`0.5000`	`0.0000`
`O`	`O`	`0.0000`	`0.5000`	`0.0000`
`O`	`O`	`0.5000`	`0.5000`	`0.1160`
`O`	`O`	`0.5000`	`0.5000`	`0.2880`
`Tl`	`Tl`	`0.5000`	`0.5000`	`0.2020`

Crystal Structure Data

Unit Cell Parameters

Fractional Coordinates of Atoms in the Asymmetric Unit