Table 3
Crystal structures of Lithium Borates
Stoichiometry
Li
l B
m H
n O
(l+3m+n)/
2
Name
Synth T(K)
Space group
Unit cell (Å or deg.)
X-ray T(K)
B-O (Å) ranges
Comments
l
m
n
Tetrahedral
Trigonal
Refs.
2
1
0
β
903
I2
̸ a
10.2269,4.6988,8.7862,
93.562
153
n/a
1.345–1.444
B
2 O
5
4−
ions [57]
α
908
Pca21
10.1497,4.7365,17.5880
153
n/a
1.340–1.454
B
2 O
5
4−
ions [57]
3
2
0
873
P21
̸ n
3.31913,23.361,9.1582,
92.650
293
n/a
n/r, 1.316–1.436 cif
Planar B
4 O
9
6−
ions [58]
1
1
1 6
P3
6.5534,6.1740
1.472–1.473
n/a
[Li(H
2 O)
4 ]
+
and [B(OH)
4 ]
−
ions [59]
P3
6.555,6.177
[60]
1
1
4
Pbca
9.16,7.95,8.54
[B(OH)
4 ]
−
ions [61]
Pbca
7.9362,8.5220,9.1762
120
1.4644–1.4989
n/a
[62]
1
1
0
Lithium
metaborate
Melt
P21
̸ c
5.838,4.348,6.449,
115.12
n/a
1.330–1.400
BO
3 chains [60]
γ-LiBO 2
1223,
15 kbar
I4̄
2d
4.1961,6.5112
1.483
n/a
BO
4 units [63]
1
2
3
Pnna
9.7984,8.2759,9.6138
powder XRD,
spiro-linked B
3 O
3 chains [64]
1
2
0
Dilithium
tetraborate
1173
I41cd
9.47,10.26
1.43–1.47
1.37–1.42
Condensed B
4 O
5 units [65]
I41cd
9.479,10.280
1.448–1.507
1.349–1.386
[66]
I41cd
9.477,10.286
1.453–1.505
1.347–1.375
[67]
I41cd
9.479,10.290
298
1.453–1.506
1.355–1.374
[68]
3
7
0
“2:5”
1113
P1̄
6.487,7.840,8.510,
92.11,104.85,99.47
1.443–1.502
1.347–1.392
B
3 O
3 and BO
3 units [69]
(continued)
A Crystallographic Review of Alkali Borate Salts …
115
Crystal structures of Lithium Borates
Stoichiometry
Li
l B
m H
n O
(l+3m+n)/
2
Name
Synth T(K)
Space group
Unit cell (Å or deg.)
X-ray T(K)
B-O (Å) ranges
Comments
l
m
n
Tetrahedral
Trigonal
Refs.
2
1
0
β
903
I2
̸ a
10.2269,4.6988,8.7862,
93.562
153
n/a
1.345–1.444
B
2 O
5
4−
ions [57]
α
908
Pca21
10.1497,4.7365,17.5880
153
n/a
1.340–1.454
B
2 O
5
4−
ions [57]
3
2
0
873
P21
̸ n
3.31913,23.361,9.1582,
92.650
293
n/a
n/r, 1.316–1.436 cif
Planar B
4 O
9
6−
ions [58]
1
1
1 6
P3
6.5534,6.1740
1.472–1.473
n/a
[Li(H
2 O)
4 ]
+
and [B(OH)
4 ]
−
ions [59]
P3
6.555,6.177
[60]
1
1
4
Pbca
9.16,7.95,8.54
[B(OH)
4 ]
−
ions [61]
Pbca
7.9362,8.5220,9.1762
120
1.4644–1.4989
n/a
[62]
1
1
0
Lithium
metaborate
Melt
P21
̸ c
5.838,4.348,6.449,
115.12
n/a
1.330–1.400
BO
3 chains [60]
γ-LiBO 2
1223,
15 kbar
I4̄
2d
4.1961,6.5112
1.483
n/a
BO
4 units [63]
1
2
3
Pnna
9.7984,8.2759,9.6138
powder XRD,
spiro-linked B
3 O
3 chains [64]
1
2
0
Dilithium
tetraborate
1173
I41cd
9.47,10.26
1.43–1.47
1.37–1.42
Condensed B
4 O
5 units [65]
I41cd
9.479,10.280
1.448–1.507
1.349–1.386
[66]
I41cd
9.477,10.286
1.453–1.505
1.347–1.375
[67]
I41cd
9.479,10.290
298
1.453–1.506
1.355–1.374
[68]
3
7
0
“2:5”
1113
P1̄
6.487,7.840,8.510,
92.11,104.85,99.47
1.443–1.502
1.347–1.392
B
3 O
3 and BO
3 units [69]
(continued)
A Crystallographic Review of Alkali Borate Salts …
115