The data names in the current core and powder dictionaries incorporate a number of abbreviated terms, listed below. It is suggested that other dictionaries should not proliferate these, but should stay with the same abbreviation for the same word. For example, difference, diffraction and diffractometer each have different abbreviations so future dictionary authors should stick with these. There are several cases (marked) where different abbreviations are used for the same word; in time COMCIFS should standardise on one as the preferred form for future use. There are no cases where the same abbreviation is used for different words.
CoreCIF 2.0, pdCIF 1.0, mmCIF 1.0
| abbrev | abbreviation |
| abs | absolute (configuration, not structure) |
| absorpt | absorption |
| alt | alternative |
| amp | amplitude |
| AN | accession number |
| anal | analyser |
| aniso | *anisotropic |
| anisotrop | *anisotropic |
| anom | anomalous |
| ASTM | American Society for Testing of Metals |
| asym | asymmetric |
| atten | attenuation |
| au | arbitrary units |
| auth | author |
| av | average |
| ax | axial |
| B | B form of atomic displacement parameter (adp) |
| backgd | *background |
| beg | begin |
| bg | *background |
| biol | biology |
| bkg | *background |
| bond | bonding |
| Bsol | B form of adp for solvent |
| calc | calculated |
| calib | calibration (pd) |
| cartn | cartesian |
| CAS | Chemical Abstract Service |
| char | characterisation (pd) |
| chem | chemical |
| chir | chirality |
| clust | cluster |
| coef | coefficient |
| com | common |
| comp | component |
| conc | concentration |
| conf | conformation |
| config | configuration |
| conform | conformant |
| conn | connectivity |
| cons | constant |
| CSD | Cambridge Structural Database |
| db | database |
| defn | definition |
| detc | detector |
| der | derivative |
| dev | standard deviation |
| dict | dictionary |
| dif | *difference |
| diff | *difference |
| diffr | diffractometer |
| diffrn | diffraction |
| displace | displacement |
| dist | distance |
| divg | divergence |
| dom | domain |
| dtime | dead time |
| ens | ensemble |
| eq | *equatorial |
| equat | *equatorial |
| equiv | equivalent |
| eqn | equation |
| esd | standard uncertainty (estimated standard deviation) |
| See su | |
| expt | experiment |
| exptl | experimental |
| fom | figure of merit |
| fract | fractional |
| Fsqd | F squared |
| gen | generation |
| gen | generator |
| gen | genetic |
| geom | geometric |
| H-M | Hermann-Mauguin |
| ha | heavy atom |
| hbond | hydrogen bond |
| hist | history |
| horiz | horizontal |
| I | intensity |
| ICSD | Inorganic Crystal Structure Database |
| id | identifier |
| illum | illumination |
| imag | imaginary |
| inc | increment |
| incl | include |
| info | information |
| instr | instrument |
| Int | international |
| ISBN | International Standard Book Number |
| iso | isotropic |
| iso | isomorphous |
| ISSN | International Standard Serial Number |
| IUCr | International Union of Crystallography |
| IUPAC | International Union of Pure and Applied Chemistry |
| len | length |
| lim | limit |
| loc | lack of closure |
| ls | least squares |
| max | maximum |
| MDF | Metals Data File |
| meanI | mean intensity |
| meas | measured |
| mid | middle (between max and min) |
| min | minimum |
| mod | modification |
| mods | modifications |
| mon | monomer |
| monochr | *monochromator (pd) |
| mono | *monochromator (pd) |
| nat | natural |
| NBS | National Bureau of Standards |
| (now National Institute of Science and Technology) | |
| NCA | number of connected atoms |
| ncs | non-crystalline symmetry |
| netI | net intensity |
| NH | number of connected hydrogen atoms |
| nha | non-hydrogen atoms |
| norm | normal |
| nst | non-standard |
| nucl | nucleic acid |
| num | number |
| obs | observed |
| oper | operation |
| org | organism |
| orient | orientation |
| origx | orthogonal coordinate matrix (PDB files) |
| os | operating system |
| param | parameter |
| pd | powder diffraction |
| PDB | Protein Data Bank |
| Powder Diffraction File | |
| perp | perpendicular |
| phos | phosphate |
| pk | peak |
| polarisn | polarisation |
| poly | polymer |
| pos | position |
| prep | preparation |
| proc | processed |
| prof | profile |
| prot | protein |
| ptnr | partner |
| publ | publication |
| R | agreement index |
| rad | radius |
| recd | received |
| recip | reciprocal |
| ref | reference |
| refine | refinement |
| refln | reflection |
| reflns | reflections |
| res | resolution |
| restr | restraints |
| rev | revision |
| Rmerge | agreement index of merging |
| rms | root mean square |
| rot | rotation |
| S | goodness of fit |
| samp | sample |
| scat | scattering factor |
| seq | sequence |
| sigI | *sigma(I) |
| sigmaI | *sigma(I) |
| sint | sin theta |
| sint/lambda | *sin(theta)/lambda |
| sol | solvent |
| spec | specimen |
| src | source |
| std | standard |
| stol | *sin(theta)/lambda |
| struct | structure |
| su | standard uncertainty |
| suppl | supplementary |
| sys | systematic |
| tbar | mean path length |
| temp | temperature |
| tor | torsion angle |
| tran | *transformation |
| transf | *transformation |
| transform | *transformation |
| tvect | translation vector (PDB files) |
| vert | vertical |
| wR | weighted agreement index |
| wt | weight |
| * terms with multiple definitions | |
| terms for which abbreviations are defined are sometimes found unabbreviated | |