ITQ-39: DO Family

Intergrowth Family ITQ-39

Periodic Building Unit


Periodic Building Unit (PerBU):	ITQ-39 layer

Layer symmetry	P -1

2D cell parameters	a = 24.15 Å	b = 12.48 Å	gamma = 90°
Comment	The terminal oxygen atoms of the 3-connected T atoms are shown

References
	Wilhammar, T., Sun, J., Wan, W., Oleynikov, P., Zhang, D., Zou, X., Moliner, M., Gonzalez, J., Martinez, C., Rey, F. and Corma, A.
		"Structure and catalytic properties of the most complex intergrown zeolite ITQ-39 determined by electron crystallography"
		Nature Chemistry, 4, 188-194 (2012)

Connectivity pattern

Examples

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

Symmetry Operation^*	Translation^*	Comment	Image
	0
	+1/3 b
	-1/3 b

^* relative to the previous layer

Simplest ordered end members

The color of each layer reflects the translation operation used to generate it from the previous layer (see table above).


Polymorph ITQ-39_A

Cell Parameters:	monoclinic	P 1 2/c 1: (# 13)
	a = 24.1500 Å	b = 12.4800 Å	c = 26.9800 Å
	α = 90.0000°	β = 125.1400°	γ = 90.0000°
	Volume =	6649.6 Å³
Framework Density (FD_Si):	16.2

	Ring sizes (# T-atoms):	12 10 6 5 4
	Channel dimensionality:	Topological (pore opening > 6-ring): 3-dimensional

Maximum diameter of a sphere:
	that can be included	6.89 Å
	that can diffuse along	a: 4.96 Å	b: 4.95 Å	c: 4.68 Å
		[1 0 0] : 4.96 Å
		addional volume data

Composite Building Units:


mor	bea	stf	mtw

In this space group and setting, the PerBUs are stacked along [001]

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


Polymorph ITQ-39_B

Cell Parameters:	triclinic	P -1: (# 2)
	a = 24.0900 Å	b = 12.4600 Å	c = 14.1800 Å
	α = 72.6000°	β = 123.2100°	γ = 90.0990°
	Volume =	3327.4 Å³
Framework Density (FD_Si):	16.2

	Ring sizes (# T-atoms):	12 10 6 5 4
	Channel dimensionality:	Topological (pore opening > 6-ring): 3-dimensional

Maximum diameter of a sphere:
	that can be included	6.89 Å
	that can diffuse along	a: 4.79 Å	b: 4.39 Å	c: 4.68 Å
		[1 0 0] : 4.79 Å
		addional volume data

Composite Building Units:


mor	bea	stf	mtw

In this space group and setting, the PerBUs are stacked along [001]
Adjacent layers generated by the same connectivity pattern (same basic color) are shown with different shades for clarity

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


Polymorph ITQ-39_C

Cell Parameters:	monoclinic	P 1 2/m 1: (# 10)
	a = 23.9700 Å	b = 12.5500 Å	c = 13.6300 Å
	α = 90.0000°	β = 124.9070°	γ = 90.0000°
	Volume =	3362.5 Å³
Framework Density (FD_Si):	16.1

	Ring sizes (# T-atoms):	12 10 6 5 4
	Channel dimensionality:	Topological (pore opening > 6-ring): 3-dimensional

Maximum diameter of a sphere:
	that can be included	7.04 Å
	that can diffuse along	a: 5.18 Å	b: 4.4 Å	c: 4.57 Å
		[1 0 0] : 5.18 Å
		addional volume data

Composite Building Units:


mor	bea	stf	mtw

In this space group and setting, the PerBUs are stacked along [001]
Adjacent layers generated by the same connectivity pattern (same basic color) are shown with different shades for clarity

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