Cross country (XC) ski boots are the part of the XC ski equipment that is directly connected to you and they should not fit like an alpine ski boot, and not like a loafer. Your foot has to have a bit of space to expand as your body warms up, but also needs to be firmly held to give you control over the skis.
Sizing
Very few XC ski boots are labeled with US sizing. Instead, they come in European sizes, and the corresponding US size can difficult to match. Additionally, the Euro size in one brand (let's say a 44) may equate to differing US sizes, depending on the brand (Salomon is a Men's 10, Fischer is a 10.5).
You can visit or call an experienced boot fitter at a reputable Nordic ski shop such as Cross Country Ski HQ, where they fit hundreds of XC skiers every year (in person and over the phone). They’ve got an intimate knowledge of boot sizing across different brands, and will quickly help you hone in on the right size. If you’re unable to visit or call a ski shop directly, find reference manufacturers sizing charts to select your size.
A tip for ordering online is to order the size boot you usually wear in the rest of your footwear. If you usually wear a 10, but occasionally wear a 9.5 or 10.5, order a 10. Note that you do not have to go up a size to accommodate a thicker sock - the boot makers have already taken that into consideration!
Try It On
Whether you're in a ski shop or you just received your boots in the mail, as you try them on and feel your boots for the first time, make sure the laces are loose and that you're wearing a light or medium weight wool sock like the kind you'd use for skiing.
Once you get your foot into the boot, gently bang the back of your heel on the floor to really set your heel into the heel pocket of the boot, then lace them up nice and snug. This is the most commonly missed step when skiers are fitting boots in the shop, and it makes a significant difference for boot fit because it gives you the true length of the boot.
A good rule of thumb is that the XC ski boots should be snug, but not too short. During the first few months of skiing in your new boots, they will break in on the sides and widen anywhere there was a little extra pressure initially. The boots will not however, get longer over time.
If you have very narrow feet there are some brands that offer a XC ski boot made for a women's specific fit, which is a little narrower.
Walk around in the new boots for few minutes and this should help acclimate your foot to the boot so they can get to know each other a little better. They are, after all, entering into a relationship!
As you flex your boot, emulating the action of skiing, notice how much your heel lifts off the sole of the boot. A little lift is expected and fine. but be aware that if your heel is lifting an inch or more, the boots are too big and you'll get blisters. Additionally, boots that don't feel at least a little snug initially might end up being too loose by the end of your first season.
Extras
If you have bunions or other abnormalities, do not fear! There are ways to accommodate these peculiarities as well. Most Nordic boots can be thermo-molded, and you can actually do it at home if you have patience and a blow-dryer.
For personal service check Cross Country Ski HQ or call them 800-832-2663 and they'll walk you through the whole deal! Thanks to Cross Country Ski HQ for the bulk of this article. See Cross Country Ski Socks for an accompanying topic.