With a bit of experimentation, I have the following hypothesis, which is
consistent with observed behaviour:

Firefox strongly prefers to choose windows that are visible, or would be
visible if their workspace were chosen.  In the absence of a potentially
visible window, the choice of window is made according to some data
structure that I don't see (i.e., I don't know how to explain that
part).

In the context of a tiling window manager in which windows are tabbed
(i.e., multiple windows occupy the same screen position), this means
that I might have, say, two firefox windows, one on workspace 1 but in a
tab that isn't currently displaying, the other in workspace 3 but
displaying if I switch to workspace 3.

I'm reading mail (not in a browser) in workspace 1.  I click a link,
expecting it to open in the firefox window in workspace 1, because that
is the firefox window with which I've recently been interacting.  But it
opens in the (potentially visible, if I were there) window in workspace
3.

If I open a window in workspace 1 that is visible, then that window will
always be chosen for URL open events, regardless of other interactions I
have with firefox.

This didn't used to be the behaviour: it used to be the last window with
which I interacted.  (The source tree is so complex and involves so many
projects, I'm not sure where to start looking for a commit that would
have affected window choosing.)

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https://bugs.launchpad.net/bugs/1810902

Title:
  firefox picks unpredictable window for opening new content when using
  i3 as a window manager

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