This page presents structures used by the Crystallography365 Project,
and gives some complementary material using CrystalWorks.
Crystallography365 celebrates the 2014 UN "International Year of
Crystallography" (IYCR2014).
The associated website shows detail of a different material (with a
focus on crystallography) for each day of the year.
What is Crystallography365 all about?
The Crystallography365 team coordinated by Helen Marnard-Casely, blogged a
crystal structure a day throughout 2014 via
their site.
This is also now hosted on the IYCR2014 Crystallography matters ... more!website.
Each structure entry cites the source(s) of structure determinations
and there is usually a link to a CIF file including full
crystallographic details.
You can also check out the project on Twitter by following
@Crystal_in_city.
Where are the structures from?
Coordinates for structures depicted by Crystallography365 are taken
from the Protein Database, the Cambridge Structural database, the
Inorganic Structural Database and the American mineralogical database.
In addition the Crystallography Open Database is strongly featured.
Further examples may be added below.
To ensure you see the latest collection you should use the "refresh"
button on your web browser.
If you encounter problems or have suggestions or comments please contact
cdsbb@stfc.ac.uk
Entries from
Crystallography Open Database, ICSD, CSD and CRYSTMET
Scroll through the full list of entries in section below
Entries not appropriate for CrystalWorks (mostly protein structures) are omitted
Structures not as yet available via CrystalWorks are marked with an asterisk
Rock salt: the structure that started it all - 1st January
HKUST 1: the Structure of empty space - 3rd January
Sulfuric acid hexahydrate: a material for another world - 4th January
Ice Ih: Snow joke, January's Ice structure - 6th January
Ethanol: Happy New Year Hangover - 8th January
Garnet: Structure of January's birthstone - 10th January
Catenane: Tales from a PhD, synthesising a catenane - 11th January
Sucrose: Sweet crystallography - 12th January
Quartz: Dear Indi - let me in next time!!! - 14th January
Type-II Bi2O3.Nb2O5: Conducting heat with a very complicated structure - 15th January
Gold: The crystal structure of success - 17th January
Methane hydrate I: Fire ice - 18th January
Graphite: the makings of the future? - 19th January
Pyroxferroite: a Mineral that came down to Earth - 20th January
Gypsum: The 'desert rose' crystal - 21st January
Calcium titanate: the First perovskite - 22nd January
Tungsten(VI) Oxide: WOOO - 23rd January
Urea: You must be taking the XXXX - 24th January
Buckminsterfullerene: a.k.a. Buckyballs a.k.a. C60 - 25th January
Brucite: a mineral for Australia day - 26th January
Lonsdaleite: Kathleen Lonsdale and her mineral - 28th January
Gadolinium Titanates: Certainly not a typical material - 29th January
Lanthanum Barium Copper Oxide: Resistance is futile - 30th January
Lithium titanate: Spinning around with Spinels - 31st January
Amethyst: February's Birthstone - 1st February
Prussian Blue: Are you feeling blue? - 2nd February
Polonium: crystal structure with an element of surprise - 5th February
Talc: a crystal for after a shower - 6th February
Aspirin: A headache of a crystal structure - 7th February
Ice IX: Stranger than fiction - 8th February
Muscovite: You can see through it - 9th February
Picric acid: Less than mellow yellow - 10th February
Lithium lanthanum titanate, Super fast ions, solid ion conductor - 11th February
Methamphetamine: Not another ice structure - 12th February
Yttrium barium copper oxide: Superconductivity heats up - 13th February
Deamino-oxytocin: Roses are red, violets are blue. Oxytocin makes me only want to be with you - 14th February
gamma-RDX: Danger danger! A high-pressure explosive - 15th February
Pyrite: the structure of Fool's Gold - 16th February
Calcite: Seeing Double - 17th February
HgBaCaCuO: How high is high for a high-temperature superconductor? - 18th February
Zircon: the Crystal structure, how old? - 20th February
White phosphorous: A strange and dangerous glow - 21st February
*Hydrogen: The chemical bond is stronger than we could have imagined - 22nd February
LaOFeP: Getting pernickety about the 1st pnictide superconductor - 24th February
Sildenafil Citrate: This is a Hard One - 25th February
Lanthanum hexaboride: Purple standards - 26th February
Polyethylene: Plastic fantastic - 27th February
Hematite: a structure determined by Linus Pauling - 28th February
Ice VI: Square snowflakes, the structure - 2nd March
Aquamarine: March's Birthstone - 3rd March
Adamantane: rigidity in carbon and hydrogen - 4th March
Brownmillerite: Organize your oxygen with SrCoO2.5 - 5th March
Citric acid: the sour in the sweet - 6th March
Sphalerite: Classical crystal structures - 7th March
Wurtzite: Classical crystal structures - 8th March
Caesium chloride: Classical crystal structures - 9th March
Astaxanthin: Colour me beautiful - 12th March
Hydrochloric acid: It is sitting in your stomach - 13th March
Keggin ions: The structure of a heteropoly acid - 14th March
Potassium Bitartrate: Something for the weekend - 15th March
Acemetacin co-crystals: Making a drug work smarter - 16th March
a Clerodane diterpenoid: Something to help you with the snakes? - 17th March
Alite: It's in the walls - 18th March
Red Oxygen: the crystal structure rainbow - 19th March
Orange crocoite: the crystal structure rainbow - 20th March
Sulfur (S10): the crystal structure rainbow - 21st March
Azurite: I'm blue da-ba-di da-ba dah, the natural mineral - 23rd March
*5,5'-indigodisulfonic acid sodium salt: crystal structure rainbow, Indigo in your batteries? - 25th March
Imperial violet: the crystal structure rainbow - 26th March
Potassium: a celebration of x-rays, Roentgenium - 27th March
Manganese oxide: Spins and arrows, the magnetic story of MnO - 28th March
Uvarovite: a very rare gem - 29th March
Andersonite: The crystal structure rainbow - Glowing in UV - 30th March
Braggite: Celebrating one of the founders of the field 31 Marchth
Rare earth magnets: how crystallography can help you stay attractive - 2nd April
Magnetic Thulium: Moments align in seven - 4th April
Chrysotile: Deadly crystal structures - 5th April
Arsenopyrite: Deadly crystal structures - 6th April
Calaverite: Kalgoorie where the streets are paved with gold - 7th April
Diamond: April Birthstone, unlucky for some - 8th April
LixCoO2: the Breakout battery hit - 9th April
Jarosite: Hero and a villain - 10th April
Potassium Cyanide: Murder most foul - 11th April
Cubic ice: Does it exist or not? - 12th April
Galena: Hearing radio waves - 13th April
Mercury(II) Fulminate: An explosive result - 14th April
Xenotime: X is for - 16th April
Feldspar: What is our planet made out of? #1 -18th April
Olivine: What is our planet made out of? #2 - 19th April
Wadsleyite: What is our planet made out of? #3 - 20th April
Ringwoodite: What is our planet made out of? #4 - 21st April
Silicate perovskite: What is our planet made out of? #5 - 22nd April
Magnesiowustite: What is our planet made out of? #6 - 23rd April
Silicate post-perovskite: What is our planet made out of? #7 -24th April
Hcp Iron: What is our planet made out of? #8 - 25th April
Epsomite: Bath salts on the moons of Jupiter - 26th April
Phenol: A small molecule that has saved a lot of lives - 27th April
Diazepam: Don't panic, Valium - 28th April
LiFePO4: the Unexpected battery success story - 29th April
beta-Uranium: Another strange element - 30th April
Mullite: Something to mull on - 1st May
Tb2Ti2O7: Magnetic monopoles in the pyrochlore lattice - 2nd May
Gramicidin S: From crystallography, to running the country - 3rd May
SmCo magnets: May the 4th be with you - 4th May
PbTiO3/SrTiO: It's a bird, it's a plane, its a Superlattice! - 5 May>/li>
Barium: Elements under pressure - 6th May
Square planar ferrites: sneaking up on unlikely atomic geometries - 7th May
Mirabilite: "The Miracle Salt" - 8th May
ThCr2Si2: Giving it the old 1-2-2 - 9th May
Methane A: Methane under pressure - 11th May
Vitamin B12: Dorothy Crowfoot Hodgkin and the structure - 12th May
Gallium: out of the box - 13th May
Putnisite: Brand new and completely unique - 14th May
Gd5Si2Ge2: Magneto gets cooler - 16th May
Peperine: a Peppery crystal structure - 17th May
Ammonium perchlorate: This is rocket science - 18th May
Silicon: an Element that is everywhere! - 20th May
2,3,6,7,10,11-Hexahydroxytriphenylene: Confining water, the structure of HHTP tetrahydrate - 22nd May
Emerald: May's Birthstone, Could you actually build an Emerald city? - 23rd May
alpha-Cristobalite: Same... but different - 24th May
beta-Cristobalite: Same... but different - 25th May
*MIL-143: the Big-brother (ir)regular beta-cristobalite - 26th May
Selenite: Crystal cathedrals - 28th May
Polyrotaxane: Getting in a twist - 29th May
Nickel Sulphate hexahydrate: Crystals you can grow at home - 30th May
Paracetamol: an elusive polymorph - 31st May
Megawite: a Specially named perovskite - 1st June
Lithium isonicotinate.solvate: Absorbing gas - 2nd June
Labradorite: a play on colours - 3rd June
Iolite: the two-coloured rock - 4th June
Penicillin: D-Day - 6th June
Ice III: in Ganymede - 7th June
Lactose: Not for the intolerant - 8th June
beta-Carotene: Helps you see in the dark - 9th June
L-ascorbic: Important for this time of year, vitamin C - 10th June
Iron(II) sulfate heptahydrate: Lacking in iron? - 11th June
Acetic acid: Vinegar - 12th June
Sodium acetate: a food preservative - 13th June
Cocoa butter form VI: the chocolate you don't want - 14th June
Ethyl Maltol: Molecular cotton candy - 15th June
Capsaicin: some Like It Hot - 16th June
Hydroxylapatite: a crystal structure you eat with! - 19th June
Tobermorite: Sounds edible, but isn't - 22nd June
An Edible Metal-Organic Framework: Porosity on your plate - 23rd June
*Sodium vanadium fluorophosphates: A bit of a mouthful, Na3V2O2x(PO4)2F3-2x - 24th June
Bismuth: Bi George - 25th June
Aragonite: June birthstone, Pearl - 27th June
Ethane: an extra-terrestrial hydrocarbon - 28th June
Benzene: a ring of progress - 29th June
Ruby: the birthstone of July - 1st July
Fluorite: a mineral of history - 2nd July
Bowieite: an exclusive mineral - 5th July
Painite: a formally very exclusive mineral - 6th July
*Brownmillerites: Ordering matters, not all are created equal - 7th July
Bridgmanite: What's in a name? - 8th July
Rutile: What is the Rutile structure? - 9th July
Iridium Oxide: Common structure, but rare material - 10th July
Cryptomelane: a mineral often mistaken for a fossil - 11th July
Germanite: a world cup inspired post - 12th July
Argentite: a world cup inspired post - 13th July
Lead zirconium titanate: A material that could help keep your heart going - 16th July
Stearic acid: Time to scrub things up - 17th July
Molybdenum: the building block of nuclear medicine - 18th July
*Ice X: the extreme form of ice 19th July
Nickel sulfide: a smashing crystal structure - 20th July
Naphthalene: Ring ring! - 21st July
Carpathite: an aromatic mineral - 22nd July
Quinine: a molecule from trees - 26th July
Eugenyl acetate: Adapting a plant-based molecule - 27th July
(NMePent3)6Na8[Cu6(ctc)4]I2.solvate: A diamond net of molecular tetrahedra - 29th July
Meridianiite: An Earth and Mars mineral - 30th July
MIL-53: Flexible Framework, it Breathes but isn't alive - 31st July
Hexamethylenetetramine: a bit of a mouthful - 2nd August
Glucose: Sweet as.. - 3rd August
Triglycine Sulphate: Ferroelectic, pyroelectric, bolometric - 4th August
Brownleeite: A mineral from interplanetary dust - 5th August
Pyroelectric lithium niobate: Crystals of temperature and electricity - 7th August
Goethite: Raw mineral of a legend - 8th August
Ammonia: Feeding the world - 9th August
Boron Nitride: Superhard and superstrong - 10th August
Ruddlesden-Popper Structures: Let's get popping! - 11th August
Copper Tetracyanotetraphenylmethane Tetrafluoroborate: Crystals by design - 13th August
*Manganese Nickel: Not going anywhere, low expansion alloys - 14th August
Zinc cyanide: the beauty within - 15th August
Magnesium Oxide: Bright spark - 16th August
Methandrostenolone: Hasta la Vista, Babies - 19th August
Eucalyptus Oil: Perfect for the cold and 'flu season - 20th August
Cobalt tricyanomethanide: Five fold - 21st August
Peridot: August Birthstone - 22nd August
Diopside: A surprisingly important structure - 23rd August
SiGe alloys: Powering Voyager - 24th August
Nanoballs: synthesis for the lazy - 26th August
Bath structure: Light reactions - 27th August
Copper sulfate pentahydrate: Do try this in your own home! - 28th August
Octapi Catenane: What's in a name? - 29th August
Ice II: Ice, but in a better state of order - 30th August
Bonattite: blue copper sulfate, but a lot rarer - 31st August
Caffeine: Cheap, safe and legal; socially acceptable psychoactive drug - 1st September
Cadmium tricyanomethanide tetramethoxyborate: try saying that three times! - 2nd September
Ettringite: Damaging buildings from within - 3rd September
*Sr1-xTi1-2xNb2xO3: Growing crystals for your PhD, the trials and tribulations Part 1 - 4th September
*Sr3TiNb4O15: Growing crystals for your PhD, the trials and tribulations Part 2 - 5th September
Uraninite: A powering mineral - 6th September
Autunite: A more complicated powering mineral - 7th September
Ekanite: a mineral that will amorphise itself - 9th September
Lazurite: September's birthstone, your choice, Sapphire or Lapis Lazuli - 11th September
Lepidolite: Where does all the lithium come from? - 12th September
Nitinol: You can do a lot with two elements - 13th September
Heklaite: A mineral from Iceland - 14th September
Magnetite: Biominerals #1 - 17th September
Weddellite: Biominerals #2, in Antarctica and in you! - 18th September
Francolite: Biominerals #3, a mineral in fossilized dinosaur bones - 19th September
Moganite: Biominerals #4, the wonderful world of silica - 20th September
Barite: Biomineral #5, which way is up? - 21st September
Red Spinel: The world's most underappreciated gemstone - 24th September
Iron trans-4,4.-azopyridine thiocyanate: Letting things down - 25th September
Nd2Fe2B: Neo-mag, The strongest permanent magnet of them all! - 26th September
Sodium hydride: simple yet historic - 27th September
L-Serine: Chasing complex molecules in the stars - 28th September
Silver(I) tricyanomethanide: Negative compression! - 29th September
Layered cuprous tricyanomethanide derivative: Interdigitation, interpenetration, intercalation - 30th September
*Xenon complex: Impossible chemistry, making the unreactive, react - 1st October
ZIF-8: A big family of MOF.s . Zeolitic imidazolate frameworks - 2nd October
Monosodium L-glutamate: Enhancing flavour, molecule by molecule MSG - 3rd October
Gerstleyite: All of the symmetry, Cm - 4th October
[Me4N][Cu2(NCS)3]: All of the symmetry, P42cm - 5th October
Fluocerite-(La): All of the symmetry, P-3c1 - 6th October
Sr3C60: All of the symmetry, Pm-3 - 7th October
Cadmium Cyanide: Dedication in the face of adversity - 8th October
Zinc nitrate: Absorbing and beautiful - 9th October
A binuclear rhodium metal-organic complex: Celebrating Laue, complex structures very quickly! - 11th October
Celebrating Laue: Complex structures very quickly! - 11th October
Cerussite: Celebrating Laue, very tiny crystals - 12th October
Cerium gold silicide: Phase Under Pressure - 14th October
Trinitroglycerin: a Nobel Explosive - 16th October
Samarium hexaboride: When interesting is skin deep - 17th October
*Fcc iron hydride: Finding hydrogen: where does it sit - 18th October
Borax: what's in silly putty? - 19th October
Bicarbonate of soda: Setting your cakes to rise - 20th October
Universal 3-Ravel molecule: When is a knot not a knot? When it.s a Ravel! - 21st October
Chalcopyrite: Trademark this mineral! - 22nd October
Goosecreekite: The most unusual mineral name? - 23rd October
Silver behenate: A long chain crystal - 25th October
Magnesium Chloride: simple Sunday - 26th October
Solid carbon dioxide: various phases - 27th October
Boron - An element to watch for the future - 28th October
Boron and carbon: Better together? - 29th October
Willemite: Glowing green - 30th October
Sulfur - S8: brimstone - 1st November
Malic acid: the sour taste - 2nd November
Gibbsite: Collect enough minerals and someone will name one after you! - 3rd November
*Future Boron: Virtual Synthesis is the Next Phase - 4th November
Potassium nitrate: Remember, Remember the 5th of November, Gunpowder, Treason and Plot - 5th November
Congressane: chosen for its looks - 6th November
Curium: Madam Curie - one of her elements (plus a bonus one!) - 7th November
Vaterite: It takes two - 8th November
Kaolinite: Fancy a wrestle? - 9th November
Karrikinolide: Where there's smoke, there's germination - 10th November
Malachite: Common beauty - 11th November
Pseudomalachite: a mineral imposter - 12th November
Cobalt chloride: growing new flowers in the chemical garden - 13th November
*Ice XV: The most recently discovered ice structure - 15th November
Krypton: a Super cool material - the crystal structure - 16th November
Melilite: What are comets made out of? One potential ingredient - 17th November
L-Glutamic acid: What was Philae looking for on 67P? - 18th November
Einsteinium sesquioxide: An explosive discovery - 21st November
Stishovite: Sign of an impact - 22nd November
Alpha and beta tin: A failed campaign - 23rd November
Alpha plutonium: a rebel element - 25th November
Orange Topaz: November's birthstone - 26th November
Tryptophan: Your crystallographic Thanksgiving - 27th November
Palmitic acid: Saturating your food - 29th November
Vermiculite: A crystal sandwich - 30th November
Methylammonium lead halides: a Structure for Summer - 1st December
Batrachotoxin A: I'm pretty, but don't touch me as I'm deadly - 2nd December
Tricalcium aluminate: Beautifully holding buildings together - 4th December
Pinene: It's beginning to smell a lot like Christmas! - 5th December
Lithium borohydride: Stuffing in the hydrogen - 6th December
Jadeite: a greenstone - 7th December
Spherocobaltite: Mineral in pink - 8th December
Tourmaline: The final birthstone of the year - 9th December
Ferrocene: An accidental molecule - 10th December
Hexaferrocenylbenzene: An impossible molecule - 11th December
UiO-66: The MOFIA & the boss of the crown family - 12th December
Superconductive concrete: Now you.ve seen everything - 13th December
Augite: a Rock with a cleavage - 14th December
*Ice XVI: the newest form of ice! - 15th December
Han purple: Colour of the terracotta warriors - 16th December
Raspberry ketone: Molecule of deceit - 17th December
*Methane under pressure: the strange co-incidence of methane B - 18th December
Santite: It's making a list - 19th December
Cocoa butter: Seasons greeting - 21st December
Ho Ho Ho: Merry Christmas - 23rd December
Tartaric acid: Pasteurized crystals - 27th December
Torbernite: Decorative, but a little deadly - 28th December
54 nets and nothing fishy - 29th December
Lanthanoid hexacyanidocobaltates, a.k.a. LnCo(CN)6: Shrinking in the heat - 30th December
Crystallography365 articles and CrystalWorks Hits Lists
Crystallography365 articles on the IYCR2014 website are grouped by month.
Buttons for corresponding Crystallography365 and CrystalWorks links are placed side by side.
IYCR2014 Perpetual Calendar links are labelled by month.
To get the corresponding CrystalWorks Hits List click "Load".
MOF structures featured by Crystallography365
Metal organic framework (MOF) structures are currently a hot topic for research.
The structures listed below were presented in Crystallograpy365.
UiO-66: The MOFIA & the boss of the crown family - 12th December
ZIF-8: A big family of MOF.s . Zeolitic imidazolate frameworks - 2nd October
Nanoballs: synthesis for the lazy - 26th August
Zinc cyanide: the beauty within - 15th August
Copper Tetracyanotetraphenylmethane Tetrafluoroborate: Crystals by design - 13th August
MIL-53: Flexible Framework, it Breathes but isn't alive - 31st July
An Edible Metal-Organic Framework: Porosity on your plate - 23rd June
HKUST 1: the Structure of empty space - 3rd January