#102

P4₂nm

Example – S₄N₂

The X-ray crystal structure and molecular structure of tetrasulphur dinitride

Chivers, T.; Codding, P.W.; Oakley, R.T.
Journal of the Chemical Society. Chemical Communications (1981), p584-p585

CIF
http://1drv.ms/1pqgGOd

3D rotatable model of S₄N₂

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#101

P4₂cm

Example – [(CH₃)₄N][Cu₂(NCS)₃]

[Me₄N][Cu₂(NCS)₃]  – a compound having a framework structure with large channels

Dilshad, R.; Boller, H.; Klepp, K.O.
Solid State Sciences (2005) 7, p1230-p1235

CIF
http://1drv.ms/1uILqt6

either CuS3N or CuS2N2 tetrahedra (blue)

3D rotatable model of [Me₄N][Cu₂(NCS)₃]

#100

P4bm

Example – Na_0.5Bi_0.5TiO₃

Investigation of the structure and phase transitions in the novel A-site substituted distorted perovskite compound Na_0.5Bi_0.5TiO₃

Jones, G.O.; Thomas, P.A.
Acta Cryst. B (2002) 58, 168-178

CIF
https://www.dropbox.com/s/t3deu9mgrr0pheu/icsd_280984.cif

TiO6 octahedra (blue)
Na/Bi (yellow/green)

3D rotatable model of Na_0.5Bi_0.5TiO₃

#99

P4mm

Example – BaTiO₃

Refinement of the structure of BaTiO₃ and other ferroelectrics.

Megaw, H.D.
Acta Crystallographica (1962) 15, 972-973

CIF
https://www.dropbox.com/s/nhe0qqvpgx6c615/icsd_34637.cif

TiO6 octahedra (blue)

3D rotatable model of BaTiO₃

#98

I4₁22

Example – CPF-1

A chiral tetragonal magnesium-carboxylate framework with nanotubular channels

Q. Lin, T. Wu, S.-T. Zheng, X. Bu and P. Feng
Chem. Commun., 2011, 47, 11852-11854

CIF
https://www.dropbox.com/s/84xabgf96elu9ku/C8%20H5%20Mg%20O5.cif

 

3D rotatable model of CPF-1

#97

I422

Example – Ekanite, ThCa₂Si₈O₂₀

Named for F.L.D. Ekanayake, of Colombo, Sri Lanka, who discovered the mineral.

A mineralogical study and crystal-structure determination of nonmetamict ekanite, ThCa₂Si₈O₂₀

Szymanski J T, Owens D R, Roberts A C, Ansell H G, Chao G Y
The Canadian Mineralogist 20 (1982) 65-75

http://webmineral.com/data/Ekanite.shtml

CIF
http://rruff.geo.arizona.edu/AMS/download.php?id=05678.cif&down=cif

SiO4 tetrahedra (yellow)
ThO8 polyhedra (green)
CaO8 polyhedra (blue)

3D rotatable model of Ekanite

#96

P4₃2₁2

Example – Li(AlSi₂O₆)

Framework distortion by large ions in MAlSi₂O₆ aluminosilicates with keatite structure

Baumgartner, B.; Mueller, G.
European Journal of Mineralogy (1990) 2, 155-162

CIF
https://www.dropbox.com/s/09x3r4hxenbzykx/icsd_69394.cif

Al/SiO4 tetrahedra (orange)
Li (blue)

3D rotatable model of Li(AlSi₂O₆)

#95

P4₃22

Example – Na₂S • 9 H₂O

Die Struktur von Na₂S • 9 H₂O und Na₂Se • 9 H₂O

Bedlivy, D.; Preisinger, A.
Zeitschrift fuer Kristallographie (1965) 121, 114-130

CIF
https://www.dropbox.com/s/76oua5tt1ccxyn1/icsd_26795.cif

NaO6 (disorted) octahedra (green)
S (yellow)

3D rotatable model of Na₂S • 9 H₂O

#94

P4₂2₁2

Example – Zn₂(L) • 4 H₂O, L = 4,4‘-bipyridine-2,6,2‘,6‘-tetracarboxylic acid

A Porous Framework Polymer Based on a Zinc(II) 4,4‘-Bipyridine-2,6,2‘,6‘-tetracarboxylate: Synthesis, Structure, and “Zeolite-Like” Behaviors

X. Lin, A.J. Blake, C. Wilson, X. Zhong Sun, N.R. Champness, M.W. George, P. Hubberstey, R. Mokaya, and M. Schröder
J. Am. Chem. Soc., 2006, 128 (33), pp 10745–10753

CIF
http://pubs.acs.org/doi/suppl/10.1021/ja060946uja060946usi20060215_033141.cif

 

3D rotatable model of Zn₂(L) • 4 H₂O

#93

P4₂22

This is also an interesting entry because space group #93 is as rarely occupied as space group #89 (P422).

In the paper of Urusov and Nadezhina it is mentioned that according to an investigation of Baur and Kassner in the year 1992 inorganic representatives of this space group are even absent.

Indeed, the ICSD retrieves 0 hits for this space group!

However, there are 6 hits in the CCDC, and for 4 of them also coordinate sets are given.

Example – Tetraphenylarsonium tetrakis(dimethyldithiophosphinato-S,S’)-cerium

Crystal and molecular structures of [AsPh₄][Ln(S₂PMe₂)₄] (Ln = Ce or Tm) and their comparison with results obtained from paramagnetic nuclear magnetic resonance data in solution

St.Spiliadis, A.A. Pinkerton, D. Schwarzenbach
J. Chem. Soc., Dalton Trans., 1982, 1809-1813

CIF
http://1drv.ms/1o8NZRa

C (black)
As (purple)
P (orange)
S (yellow)
Ce (lime)

3D rotatable model of [AsPh₄][Ln(S₂PMe₂)₄]