P2 – Thomasclarkite-(Y)

Welcome back! Two down, 227 to go. Gulp.

The first two space groups were pretty simple prints (although my post-print work was a little shocking – if only someone would buy me a duel nozzle printer or an SLA printer… 😉 ) and I am really happy with how they turned out.

However, now things are getting serious.. We’ve moved out of the asymmetric territory of triclinic space groups and are now entering the heady heights of the monoclinic crystal system. Unlike triclinic where none of the sides or angles of the unit cell are equal, in the monoclinic system a, b and c are not the same distance, but the angles α and β are equal to 90 degrees.

P2 is the simplest of the space groups in the monoclinic crystal system and the fantastic people at: https://crystalsymmetry.wordpress.com/230-2/ selected ‘Thomasclarkite’ as their example for it.

Thomasclarkite is a newly (1998) discovered sodium containing rare-earth element carbonate, identified by J. D. Grice and R. A. Gault in Mont Saint-Hilaire, Quebec. Oh how I would love to go mineral hunting there one day! Sadly my one major mineral hunt ended with me falling down a cliff, but that is another story..

The .cif (from: http://rruff.geo.arizona.edu/AMS/minerals/Thomasclarkite-(Y) ) outputs the following in crystalmaker:

Thomasclarkite-(Y) with carbon, sodium, oxygen and yttrium in black, yellow, red and light blue respectively. Water positions are dark blue/grey.

Looks pretty but not printer friendly at all – firstly those floating water positions have to go and we need to increase both the bond sizes and unit cell to be able to print this..

Bumped up the unit cell to crystalmaker’s max (blue line, 10 pixels), changed the hydroxides to pink (wish I had neutron data to play with – then we’d see the hydrogen positions), removed the water and increased the carbon atomic radii to 0.75 angstroms. I’ve also increased the stick bonds to 50% the smallest atomic radii and we get the below:

Thomasclarkite-(Y) with water positions removed.

I think I’m going to take the executive decision not to print water positions (or any other absorbed molecules) unless they are part of the structure. I think it would be too tricky to keep them in for my Snapmaker – although I’m happy to upload .stl files if you want to give it a go – just let me know!

Importing the .stl into the snapmaker3D slicing software we get:

Scaled up to 500 % and rotated in y by 90 degrees

Only 7 hours! Although it is looking flimsy – I’ll give it a go but I’m not sure about this one at all.. Especially considering my record so far with the post-print work..

Check back later to see how it went!

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