CrystalMaker Crystal Structure Report

S090-Diopside

Polyhedral Model

Diopside: CaMgSi2O6

a pyroxene mineral.

The crystal structure consists of chains of corner-linked SiO4 tetrahedra, bonded to M1 octahedra.

The bonding between tetrahedral chains and M1 chains is strong, forming cohesive structural "I-beam" units. Adjacent I-beams are connected via M2 sites: this bonding is relatively weak, giving pyroxenes pronounced cleavage.

Crystal structure from Wyckoff: Crystal Structures, Vol. 4.

Mg resides in M1 site; Ca in M2 site.

Crystal Structure Data

Symmetry

Spacegroup Symbol:	`C 2/c`
Lattice Type:	`C`

Unit Cell Parameters

a [Å]	b [Å]	c [Å]	α [°]	β [°]	γ [°]
`9.7460`	`8.8990`	`5.2510`	`90.000`	`105.630`	`90.000`

Fractional Coordinates of Atoms in the Asymmetric Unit

	Site	Occupancy	x	y	z
`1`	`M2`	`Ca 1`	`0.0000`	`0.3015`	`0.2500`
`2`	`M1`	`Mg 1`	`0.0000`	`0.9082`	`0.2500`
`3`	`O1`	`O 1`	`0.1156`	`0.0873`	`0.1422`
`4`	`O2`	`O 1`	`0.3611`	`0.2500`	`0.3180`
`5`	`O3`	`O 1`	`0.3503`	`0.0176`	`-0.0047`
`6`	`T`	`Si 1`	`0.2862`	`0.0933`	`0.2293`

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