View Structure: PAU (Paulingite)

Number of topological features per unit cell.
Atoms	Portals	Channels	Cages	Junctions	Connections
2016	1188	219	66	237	528

Pore size distribution.

% Pore Volume in Features

Total Pore Volume

Channel Diameter (Å)

Cage Diameter (Å)

cm³

% of Total
Volume

< 4

4–6

> 6

< 6

6–8

> 8

–

0.308

Accessible volume and surface area as a function of molecule size.
Volume (cm³/g)				Surface Area (m²/g)
Characteristic Molecule Diam. (Å)				Characteristic Molecule Diam. (Å)
2	4	6	8	2	4	6	8
0.308	0.137	–	–	1336	572	–	–

Pore characterization quantities.
Largest Cavity Diameter (Å)	Pore Limiting Diameter (Å)
11.1	4.7

Unit cell parameters.
Space Group^†	Cell Lengths (Å)			Cell Angles (deg.)
Space Group^†	a	b	c	α	β	γ
229	34.84	34.84	34.84	90.0	90.0	90.0
† International Tables for Crystallography A (2006).

Coordination sequences.
T-atom Name	Coordination Sequence (to Shell 10)
T1	4	9	18	31	47	68	91	117	151	188
T2	4	9	18	32	49	70	95	122	154	191
T3	4	9	18	32	49	69	94	123	153	186
T4	4	9	18	32	48	67	92	121	152	185
T5	4	9	18	31	47	68	92	119	152	188
T6	4	9	17	29	45	65	89	117	149	185
T7	4	9	17	30	47	66	88	113	144	183
T8	4	9	18	32	49	69	95	123	152	188

Citation: Baerlocher, C. and McCusker, L. Database of Zeolite Structures. http://www.iza-structure.org/databases/, 2013. Accessed on April 23, 2013. Framework Type PAU (Material: Paulingite)

Note: An oxygen radius of 1 Å is used throughout.

Citing ZEOMICS

Please acknowledge use of characterization results from ZEOMICS using the following citation:

First, E. L., Gounaris, C. E., Wei, J., and Floudas, C. A. Computational characterization of zeolite porous networks: an automated approach. Physical Chemistry Chemical Physics, 13(38):17339–17358, 2011.