Table 2
Crystal structures of monomeric sodium and lithium borates
Stoichiometry
M
l B
m H
n O
(l+3m+n)/2
Synth
T(K)
Space
group
Unit cell
(Å or deg.)
X-ray
T(K)
B-O (Å) ranges
Comments
M
l
m
n
Tetrahedral
Trigonal
Ref.
Na
3
1
0
748
P2 1
̸ c
5.687,7.530,9.993
127.15
n/a
1.377–1.409
[BO
3 ]
3−
ions [29]
Na
2
1
1
523
Pnma
8.627,3.512,9.863
n/a
1.351–1.439
[BO
2 (OH)]
2−
ions [30]
Na
1
1
8
298
P1
6.126,8.1890,6.068
67.92,110.58,101.85
1.474–1.479
n/a
[B(OH)
4 ]
−
ions [31]
Na
1
1
4
293
P2 1
̸ a
5.886,10.566,6.146
111.60
1.463–1.483
n/a
[B(OH)
4 ]
−
ions [32]
Li
1
1
16
P3
6.5534,6.1740
1.472–1.473
[Li(H
2 O)
4 ]
+
and [B(OH)
4 ]
−
ions [33]
C3
6.555,6.177
[34]
Li
1
1
4
Pbca
9.16,7.95,8.54
[B(OH)
4 ]
−
ions [35]
Pbca
7.9362,8.5220,9.1762
120
1.4644–1.4989
[36]
An Ab Initio Study of Boric Acid, Borate …
147
Crystal structures of monomeric sodium and lithium borates
Stoichiometry
M
l B
m H
n O
(l+3m+n)/2
Synth
T(K)
Space
group
Unit cell
(Å or deg.)
X-ray
T(K)
B-O (Å) ranges
Comments
M
l
m
n
Tetrahedral
Trigonal
Ref.
Na
3
1
0
748
P2 1
̸ c
5.687,7.530,9.993
127.15
n/a
1.377–1.409
[BO
3 ]
3−
ions [29]
Na
2
1
1
523
Pnma
8.627,3.512,9.863
n/a
1.351–1.439
[BO
2 (OH)]
2−
ions [30]
Na
1
1
8
298
P1
6.126,8.1890,6.068
67.92,110.58,101.85
1.474–1.479
n/a
[B(OH)
4 ]
−
ions [31]
Na
1
1
4
293
P2 1
̸ a
5.886,10.566,6.146
111.60
1.463–1.483
n/a
[B(OH)
4 ]
−
ions [32]
Li
1
1
16
P3
6.5534,6.1740
1.472–1.473
[Li(H
2 O)
4 ]
+
and [B(OH)
4 ]
−
ions [33]
C3
6.555,6.177
[34]
Li
1
1
4
Pbca
9.16,7.95,8.54
[B(OH)
4 ]
−
ions [35]
Pbca
7.9362,8.5220,9.1762
120
1.4644–1.4989
[36]
An Ab Initio Study of Boric Acid, Borate …
147