1 a. Na-Cl= 67% ionic d. K-Cl=
70% ionic g. Cu-S= 9% ionic
b. Ca-F= 89% "
e. Zn-S= 19% "
h. Ca-O= 79% ";
C-O= 22% ionic
c. Fe-O= 51% "
f. As-S= 6%
"
i. Ba-O= 82%
"; S-O= 22% "
--the cation-O bond is much higher in ionic % overall than
the same for the cation-S bond
-so one would have a high confidence in
the calculated structure for the cation-O bond
to be likely what it actually
is 2 a. (TiO2):
Ti-O CN= 6, ev = 2/3 therefore there are 6 O
surrounding each Ti with
octahedron coordination and 3 Ti around each O with equilateral triangle co-
ordination
(MgCO3): Mg-O CN = 6, ev =1/3---C-O CN =
3, ev = 4/3 therefore there
are 6 O surrounding each Mg with octahedron coordination, 3 O around
each C with equilateral triangle coordination and 2 Mg and 1 C
surrounding each O with equilateral triangle coordination
(PbSO4): Pb-O CN = 8, ev =
1/4---S-O CN = 4, ev = 3/2 therefore there
are 8 O surrounding each Pb with cube coordination, 4 O surrounding
each S with tetrahedron coordination, and 2 Pb and 1 S surrounding each
O with equilateral triangle coordination
(ZnCO3): Zn-O CN = 6, ev =
1/3---C-O CN = 3, ev = 4/3 therefore there are
6 O surrounding each Zn with octahedron coordination, 3 O surrounding
each C with equilateral triangle coordination, and 2 Zn and 1 C sur-
rounding each O with equilateral triangle coordination
(MnO2): Mn-O CN = 6, ev = 2/3
therefore there are 6 O surrounding each
Mn with octahedron coordination and 3 Mn surrounding each O with
equilateral triangle coordination
(NaNO3): Na-O CN = 6, ev =
1/6---N-O CN = 3, ev = 5/3 therefore there
are 6 O surrounding each Na with octahedron coordination, 3 O sur-
rounding each N with equilateral coordination, and 2 Na and 1 N sur-
rounding each O with equilateral triangle coordination
(Mg2SiO4): Mg-O
CN = 6, ev = 1/3---Si-O CN = 4. ev = 1
therefore,
6 O surrounding each Mg with octahahedron coordination, 4 O sur-
rounding each Si with tetrahedron coordination, and 3 Mg
and 1 Si
surrounding each O with tetrahedron coordination
(CaSO4): S-O CN = 4 (based on
the anisodesmic nature--no rr calculation needed),
Ca-O CN = 8 since it is an isodesmic bond, the rr is borderline
and
mineral formed at a low temperature, and 1 S and 2 Ca arround each O.
S-O ev = 3/2, Ca-O ev = 1/4
(CaWO4): Ca-O CN = 8
W-O CN = 4 , and 1 W and 2 Ca around each O since Ca-O ev = 1/4
and
W-O ev = 3/2
( PbMoO4): Pb-O CN = 8
Mo-O CN = 4, and 1Mo and 2 Pb around each O since Pb-O ev = 1/4 and
Mo-O ev = 3/2
b. Ti-O, Mg-O, Pb-O, Zn-O,
Mn-O, Na-O, Ca-O are all isodesmic bonds
C-O,
S-O, N-O, W-O, Mo-O are all anisodesmic and oxyacid anions
Si-O
is mesodesmic
3. Fe+2 cannot proxy for Si+4 in
quartz, SiO2 first
of all Fe-O always forms a 6 CN with
O and Si always a 4 CN with O
next, the difference in valence numbers would be too
large since there must be additional
substitution with Si to adhere to the electroneutrality
rule--this condition would require too
much energy and produce a mineral different than
quartz
4. a. strong (probable)--similar CN with O
however, calculated CN are not the same but under temp.
conditions will be the same; also valence and electronegativities are the
same
b. weak (improbable)--since Ba+2
is too large and would form a different CN with O
even though charges are the same and electronegativities are similar
c. strong (probable)--since
CN with O and valences are the same; alsoa stronger ionic bond
would form
d. weak(improbable)--even
though both would form the same CN with O and both have the
same charge, the ionic bond formed would be much weaker
e. strong (probable)--since
both have same valences and form the same CN with O and both
would form similar ionic bond strength
f. weak (improbable)--since the
differences in charge would result in a very large amount of
electroneutrality
to correct for; the CN with O are different and a much weaker ionic bond
would
form considering electronegativities
g. strong-moderate even though the
charges are different by one as happens with Na+1
and Ca+2
proxying in plagioclase, Al+3 and Si+4 could substitute to keep
electronegativity
of mineral; the CN with O would be the same and the electronegativities
are quite similar
h. weak(improbable)--since
the CN with O would be different although valence is the same
and electronegativities are similar
i. weak(improbable)--since
CN with O would be different even though a stronger ionic bond
would form and the valences are the same
j. weak(improbable)--since
a much weaker ionic bond would form even though both would
form
the same CN with O and both have the same valence
5. anisodesmic bonds form oxyacid anions and
mesodesmic bonds form polymerization in minerals
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