IPC-6: DO Family

Intergrowth Family IPC-6

Periodic Building Unit


Periodic Building Unit (PerBU):	UTL layer

Layer symmetry	P m

2D cell parameters	a = 14.07 Å	b = 12.52 Å	gamma = 90°

Connector

	Unit	4-ring

References
	Wheatley, P.S., Chlubná-Eliášová, P., Greer, H., Zhou, W. Seymour, V.R., Dawson, D.M., Ashbrook, S.E., Pinar, A.B., McCusker, L.B., Opanasenko, M., Čejka, J. and Morris, R.E.
		"Zeolites with Continuously Tuneable Porosity"
		Angew. Chem. Int. Ed., 53, 13210 –13214 (2014)

Connectivity pattern

Examples

The layers are stacked along the [001] direction using the following connectivity patterns

Symmetry Operation^*	Translation^*	Comment	Image
	1/2 a	direct connection
	1/2 a	4-ring connection

^* relative to the previous layer


Effect on channel system
	The disorder does not block the channel system. That is, the 10-ring channels of the polymorph PCR and the 12-ring channels of the polymorph OKO coexist next to each other. The relative amount depends on the mixing ratio of these polymorphs.

Simplest ordered end members

Connectors are shown in light blue.
Adjacent PerBUs generated by the same connectivity pattern (with or without connctors in between) are shown with different shades of the same color for clarity.


Polymorph PCR

Cell Parameters:	monoclinic	C 1 2/m 1: (# 12)
	a = 20.1437 Å	b = 14.0723 Å	c = 12.5223 Å
	α = 90.000°	β = 115.651°	γ = 90.000°
	Volume =	3199.9 Å³
Framework Density (FD_Si):	18.8

	Ring sizes (# T-atoms):	10 8 6 5
	Channel dimensionality:	Topological (pore opening > 6-ring): 2-dimensional

Maximum diameter of a sphere:
	that can be included	6.03 Å
	that can diffuse along	a: 1.51 Å	b: 3.16 Å	c: 4.2 Å
		addional volume data

Composite Building Units:


mor	mtt	cas	fer	ton

mso	pcr

	Note: This polymorph corresponds to the ordered framework PCR


Polymorph OKO

Cell Parameters:	monoclinic	C 1 2/m 1: (# 12)
	a = 24.0638 Å	b = 13.8332 Å	c = 12.3516 Å
	α = 90.000°	β = 109.128°	γ = 90.000°
	Volume =	3884.6 Å³
Framework Density (FD_Si):	17.5

	Ring sizes (# T-atoms):	12 10 6 5 4
	Channel dimensionality:	Topological (pore opening > 6-ring): 2-dimensional

Maximum diameter of a sphere:
	that can be included	6.7 Å
	that can diffuse along	a: 1.34 Å	b: 5.1 Å	c: 5.9 Å
		addional volume data

Composite Building Units:


mor	mtt	cas	fer	non

ton

	Note: This polymorph corresponds to the ordered framework OKO


Polymorph IPC-6_A

Cell Parameters:	monoclinic	P 1 2/m 1: (# 10)
	a = 20.7654 Å	b = 13.9048 Å	c = 12.4002 Å
	α = 90.0000°	β = 101.3200°	γ = 90.0000°
	Volume =	3510.7 Å³
Framework Density (FD_Si):	18.2

	Ring sizes (# T-atoms):	12 10 8 6 5 4
	Channel dimensionality:	Topological (pore opening > 6-ring): 2-dimensional

Maximum diameter of a sphere:
	that can be included	6.84 Å
	that can diffuse along	a: 1.46 Å	b: 5.08 Å	c: 6.27 Å
		addional volume data

Composite Building Units:


mor	mtt	cas	fer	non

ton	mso	pcr

	Note: This polymorph has NOT been observed as a pure ordered material