Bond Valence Ro parameters and M-O bond distances (bond valence and ionic), crystal and ionic radii

Bond Valence Parameter Radii

Element Ox. Anion Ox.
Li
Cu
Na
Ag
V
Hg
Tl
K
Rb
Cs
Au
Fr

1
1
1
1
1
1
1
1
1
1
1
1

C
Be
Ni
Cu
Co
Mg
V
In
Zn
Cr
Fe
S
Pt
Mn
Pd
Er
Dy
Cd
Sn
Nd
Ca
Hg
Gd
Pb
Sr
Eu
Ba
Zr
Ge
Ti
Ag
Np
Tm
No
Ra

2
2
2
2
2
2
2
2
2
2
2
2
2
2
2
2
2
2
2
2
2
2
2
2
2
2
2
2
2
2
2
2
2
2
2

O
O
O
O
O
O
O
O
O
O
O
O

-2
-2
-2
-2
-2
-2
-2
-2
-2
-2

Ro

M-O (VI)

M-O
(IX)

1.466
1.61
1.803
1.842
1.88
1.9
2.124
2.132
2.263
2.417

2.129
2.273
2.466
2.505
2.543
2.563
2.787
2.795
2.926
3.080

2.279
2.423
2.616
2.655
2.693
2.713
2.937
2.945
3.076
3.230

M-O
(XII)

Crystal and Ionic Radii

M-O
r (VI) Ox. CN cr
ir
(VI) CN

2.385
2.529
2.722
2.761
2.799
2.819
3.043
3.051
3.182
3.336

0.919
1.063
1.256
1.295
1.333
1.353
1.577
1.585
1.716
1.870

1
1
1
1

6
6
6
6

0.90
0.91
1.16
1.29

0.76
0.77
1.02
1.15

2.11
2.12
2.37 12
2.50

1
1
1
1
1
1
1

6
6
6
6
6
6
6

1.33
1.64
1.52
1.66
1.81
1.51
1.94

1.19
1.50
1.38
1.52
1.67
1.37
1.80

2.54
2.85
2.73
2.87
3.02
2.72
3.15

12
12
12
12

O
-2 1.366
1.772
1.923 2.029 0.562
O
-2 1.381
1.787
1.938 2.044 0.577 2 6 0.59 0.45 1.80
O
-2 1.654
2.060
2.211 2.317 0.850 2 6 0.83 0.69 2.04
O
-2 1.679
2.085
2.236 2.342 0.875 2 6 0.87 0.73 2.08
O
-2 1.692
2.098
2.249 2.355 0.888 2 6 0.89 0.75 2.10
O
-2 1.693
2.099
2.250 2.356 0.889 2 6 0.86 0.72 2.07
O
-2
1.70
2.106
2.257 2.363 0.896 2 6 0.93 0.79 2.14
O
-2
1.70
2.106
2.257 2.363 0.896
O
-2 1.704
2.110
2.261 2.367 0.900 2 6 0.88 0.74 2.09
O
-2
1.73
2.136
2.287 2.393 0.926 2 6 0.94 0.80 2.15
O
-2 1.734
2.140
2.291 2.397 0.930 2 6 0.92 0.78 2.13
O
-2
1.74
2.146
2.297 2.403 0.936 2 6 1.70 1.56 2.91
O
-2 1.768
2.174
2.325 2.431 0.964 2 6 0.94 0.80 2.15
O
-2
1.79
2.196
2.347 2.453 0.986 2 6 0.97 0.83 2.18
O
-2 1.792
2.198
2.349 2.455 0.988 2 6 1.00 0.86 2.21
O
-2
1.88
2.286
2.437 2.543 1.076
O
-2
1.9
2.306
2.457 2.563 1.096 2 6 1.21 1.07 2.42
O
-2 1.904
2.310
2.461 2.567 1.100 2 6 1.09 0.95 2.30 12
O
-2
1.94
2.346
2.497 2.603 1.136
O
-2
1.95
2.356
2.507 2.613 1.146
O
-2 1.967
2.373
2.524 2.630 1.163 2 6 1.14 1.00 2.35 12
O
-2 1.972
2.378
2.529 2.635 1.168 2 6 1.16 1.02 2.37
O
-2
2.01
2.416
2.567 2.673 1.206
O
-2 2.112
2.518
2.669 2.775 1.308 2 6 1.33 1.19 2.54 12
O
-2 2.118
2.524
2.675 2.781 1.314 2 6 1.32 1.18 2.53 12
O
-2
2.13
2.536
2.687 2.793 1.326 2 6 1.31 1.17 2.52
O
-2 2.285
2.691
2.842 2.948 1.481 2 6 1.49 1.35 2.70 12
O
-2
2.34
2.746
2.897 3.003 1.536
O
2 6 0.87 0.73 2.08
O
2 6 1.00 0.86 2.21
O
2 6 1.08 0.94 2.29
O
2 6 1.15 1.01 2.36
O
2 6 1.17 1.03 2.38
O
2 6 1.24 1.10 2.45
O
12
Metal-Oxygen Bond Valence Parameters and Distances Sorted by Oxidation State
M-O = Ro - b*LN(Oxidation State B/CN(B-site)) with b = 0.37 in majority of examples

cr

ir

M-O
(XII)

1.53

1.39

2.74

1.84
1.78
1.86
2.02

1.70
1.64
1.72
1.88

3.05
2.99
3.07
3.23

1.45

1.31

2.66

1.48

1.34

2.69

1.63
1.58

1.49
1.44

2.79

1.75

1.61

2.96

1.84

1.70

3.05

Ro values obtained from Accumulated Table of Bond Valence Parameters Version 2.2

http://www.ccp14.ac.uk/ccp/web-mirrors/i_d_brown/
Crystal Radius of Oxygen = 1.21 A , Ionic Radius of Oxygen = 1.35 A (2-coordinate)
R.D.Shannon, Acta Cryst. (1976) A32, 751 (High Spin unless otherwise noted.)

For comments and questions on this file, please contact

Michael Lufaso (michael.lufaso@unf.edu)

1 of 4

Bond Valence Ro parameters and M-O bond distances (bond valence and ionic), crystal and ionic radii

Bond Valence Parameter Radii

M-O
Element Ox. Anion Ox.
Ro
(VI)
B
Al
P
Co
Cl
Cr
Ga
Ni
V
Cu
Fe
Mn
Ru
As
Ti
Rh
Sc
Pt
Re
Au
Nb
In
Yb
Lu
Sb
Er
Tm
Dy
Tl
Y
Ho
Tb
Gd
Es
Cf
Eu
Bk
Sm
Bi
Nd
Am
Pu
Pr
Ce
La
Mo
Cm
Ac
Ir
Ta
Ag
Pd
U

3
3
3
3
3
3
3
3
3
3
3
3
3
3
3
3
3
3
3
3
3
3
3
3
3
3
3
3
3
3
3
3
3
3
3
3
3
3
3
3
3
3
3
3
3
3
3
3

O
O
O
O
O
O
O
O
O
O
O
O
O
O
O
O
O
O
O
O
O
O
O
O
O
O
O
O
O
O
O
O
O
O
O
O
O
O
O
O
O
O
O
O
O
O
O
O

-2
-2
-2
-2
-2
-2
-2
-2
-2
-2
-2
-2
-2
-2
-2
-2
-2
-2
-2
-2
-2
-2
-2
-2
-2
-2
-2
-2
-2
-2
-2
-2
-2
-2
-2
-2
-2
-2
-2
-2
-2
-2
-2
-2
-2
-2
-2
-2

1.371
1.62
1.63
1.637
1.71
1.724
1.73
1.74
1.743
1.753
1.759
1.76
1.77
1.789
1.791
1.793
1.849
1.87
1.9
1.89
1.91
1.902
1.965
1.971
1.973
1.988
2.000
2.001
2.003
2.019
2.025
2.032
2.065
2.08
2.07
2.074
2.08
2.088
2.094
2.105
2.11
2.11
2.138
2.151
2.172
2.2
2.23
2.24

1.627
1.876
1.886
1.893
1.966
1.980
1.986
1.996
1.999
2.009
2.015
2.016
2.026
2.045
2.047
2.049
2.105
2.126
2.143
2.146
2.153
2.158
2.221
2.227
2.229
2.244
2.256
2.257
2.259
2.275
2.281
2.288
2.321
2.323
2.326
2.330
2.336
2.344
2.350
2.361
2.366
2.366
2.394
2.407
2.428
2.443
2.486
2.496

Crystal and Ionic Radii

M-O
(XII)

r (VI) Ox. CN

1.884
2.133
2.143
2.150
2.223
2.237
2.243
2.253
2.256
2.266
2.272
2.273
2.283
2.302
2.304
2.306
2.362
2.383
2.385
2.403
2.395
2.415
2.478
2.484
2.486
2.501
2.513
2.514
2.516
2.532
2.538
2.545
2.578
2.565
2.583
2.587
2.593
2.601
2.607
2.618
2.623
2.623
2.651
2.664
2.685
2.685
2.743
2.753

0.417
0.666
0.676
0.683
0.756
0.770
0.776
0.786
0.789
0.799
0.805
0.806
0.816
0.835
0.837
0.839
0.895
0.916
0.933
0.936
0.943
0.948
1.011
1.017
1.019
1.034
1.046
1.047
1.049
1.065
1.071
1.078
1.111
1.113
1.116
1.120
1.126
1.134
1.140
1.151
1.156
1.156
1.184
1.197
1.218
1.233
1.276
1.286

cr

ir

M-O (VI) CN

3
3
3
3

6
6
6
6

0.41
0.68
0.58
0.75

0.27
0.54
0.44
0.61

1.62
1.89
1.79
1.96

3
3
3
3
3
3
3
3
3
3
3
3

6
6
6
6
6
6
6
6
6
6
6
6

0.76
0.76
0.70
0.78
0.68
0.79
0.79
0.82
0.72
0.81
0.81
0.89

0.62
0.62
0.56
0.64
0.54
0.65
0.65
0.68
0.58
0.67
0.67
0.75

1.97
1.97
1.91
1.99
1.89
2.00
1.995
2.03
1.93
2.02
2.02
2.10

3
3
3
3
3
3
3
3
3
3
3
3
3
3

6
6
6
6
6
6
6
6
6
6
6
6
6
6

0.99
0.86
0.94
1.01
1.00
0.90
1.03
1.02
1.05
1.03
1.04
1.04
1.06
1.08

0.85
0.72
0.80
0.87
0.86
0.76
0.89
0.88
0.91
0.89
0.90
0.90
0.92
0.94

2.20
2.07
2.15
2.22
2.21
2.11
2.24
2.23
2.26
2.24
2.25
2.25
2.27
2.29

1.09

0.95

2.30

3
3
3

6
6
6

1.10
1.17
1.12

0.96
1.03
0.98

2.31
2.38
2.33

3
3
3
3
3
3
3
3
3
3
3
3

6
6
6
6
6
6
6
6
6
6
6
6

1.14
1.13
1.15
1.17
0.83
1.11
1.26
0.82
0.86
0.89
0.90
1.17

1.00
0.99
1.01
1.03
0.69
0.97
1.12
0.68
0.72
0.75
0.76
1.03

2.35
2.34
2.36
2.38
2.04
2.32
2.47
2.03
2.07
2.10
2.11
2.38

Michael Lufaso (michael.lufaso@unf.edu)

cr

ir

M-O
(XII)

12

1.41 1.27

2.62

12
12

1.48 1.34
1.5 1.36

2.69
2.71

2 of 4

Bond Valence Ro parameters and M-O bond distances (bond valence and ionic), crystal and ionic radii

Bond Valence Parameter Radii

M-O
M-O
Element Ox. Anion Ox.
Ro
(VI)
(XII)
C
Si
P
S
Co
Ge
Mn
Ni (L.S.)
V
Cr
Os
Se
Ti
Ru
Ir
Pt
Nb
Sn
Hf
Zr
Te
Ce
Pb
Cf
Bk
Cm
Am
Pu
U
Am
Pa
Th
Np
Po
Mo
Ta
Fe
Rh
Pd
Re
Tc
W
Tb
Pr
Pu

4
4
4
4
4
4
4
4
4
4
4
4
4
4
4
4
4
4
4
4
4
4
4
4
4
4
4
4
4
4
4
4
4
4
4
4
4
4
4
4
4
4
4
4
4

O
O
O
O
O
O
O
O
O
O
O
O
O
O
O
O
O
O
O
O
O
O
O
O
O
O
O
O
O
O
O
O
O
O
O
O
O
O
O
O
O
O
O
O
O

-2
-2
-2
-2
-2
-2
-2
-2
-2
-2
-2
-2
-2
-2
-2
-2
-2
-2
-2
-2
-2
-2
-2
-2
-2
-2
-2
-2
-2
-2
-2
-2
-2
-2
-2
-2

1.39
1.624
1.64
1.644
1.72
1.748
1.753
1.78
1.784
1.81
1.811
1.811
1.815
1.834
1.87
1.879
1.88
1.905
1.923
1.928
1.977
2.028
2.042
2.06
2.07
2.08
2.08
2.09
2.112
2.12
2.15
2.167
2.18
2.19
2.24
2.29

1.540
1.774
1.790
1.794
1.870
1.898
1.903
1.922
1.934
1.960
1.961
1.961
1.965
1.984
2.020
2.029
2.030
2.055
2.073
2.078
2.127
2.178
2.192
2.202
2.212
2.222
2.230
2.232
2.262
2.270
2.292
2.317
2.330
2.340
2.390
2.440

1.796
2.030
2.046
2.050
2.126
2.154
2.159
2.186
2.190
2.216
2.217
2.217
2.221
2.240
2.276
2.285
2.286
2.311
2.329
2.334
2.383
2.434
2.448
2.445
2.455
2.465
2.486
2.475
2.518
2.526
2.535
2.573
2.586
2.596
2.646
2.696

Crystal and Ionic Radii

r (VI)

Ox.

CN

cr

ir

M-O
(VI)

0.330
0.564
0.580
0.584
0.660
0.688
0.693
0.712
0.724
0.750
0.751
0.751
0.755
0.774
0.810
0.819
0.820
0.845
0.863
0.868
0.917
0.968
0.982
0.992
1.002
1.012
1.020
1.022
1.052
1.060
1.082
1.107
1.120
1.130
1.180
1.230

4
4

6
6

0.3
0.54

0.16
0.40

1.51
1.75

4
4
4
4
4
4
4
4
4
4
4
4
4
4
4
4
4
4
4
4
4
4
4
4
4

6
6
6
6
6
6
6
6
6
6
6
6
6
6
6
6
6
6
6
6
6
6
6
6
6

0.67
0.67
0.67
0.62
0.72
0.69
0.77
0.64
0.745
0.76
0.765
0.765
0.82
0.83
0.85
0.86
1.11
1.01
0.915
0.961

0.53
0.53
0.53
0.48
0.58
0.55
0.63
0.50
0.61
0.62
0.63
0.63
0.68
0.69
0.71
0.72
0.97
0.87
0.78
0.82

1.88
1.88
1.88
1.83
1.93
1.90
1.98
1.85
1.96
1.97
1.98
1.98
2.03
2.04
2.06
2.07
2.32
2.22
2.13
2.17

0.99

0.85

2.20

1.03

0.89

2.24

4
4
4
4
4
4
4
4
4
4
4
4
4
4
4

6
6
6
6
6
6
6
6
6
6
6
6
6
6
6

1.04
1.08
1.01
1.08
0.79
0.82
0.725
0.74
0.755
0.77
0.785
0.8
0.9
0.99
1.00

0.90
0.94
0.87
0.94
0.65
0.68
0.59
0.60
0.62
0.63
0.65
0.66
0.76
0.85
0.86

2.25
2.29
2.22
2.29
2.00
2.03
1.94
1.95
1.97
1.98
2.00
2.01
2.11
2.20
2.21

Michael Lufaso (michael.lufaso@unf.edu)

CN

cr

ir

M-O
(XII)

12

1.28 1.14 2.49

12

1.31 1.17 2.52

12

1.35 1.21 2.56

3 of 4

Bond Valence Ro parameters and M-O bond distances (bond valence and ionic), crystal and ionic radii

Bond Valence Parameter Radii

Element

Ox. Anion Ox.

Ro

Crystal and Ionic Radii

M-O (VI) M-O (XII)

r (VI)

Ox.

C.N.

cr

ir

M-O (VI)

5
5

6
6

0.27
0.52

0.13
0.38

1.48
1.73

5
5
5

6
6
6

0.6
0.63
0.68

0.46
0.49
0.54

1.81
1.84
1.89

5
5
5
5
5
5
5
5

6
6
6
6
6
6
6
6

0.75
0.72
0.76
0.705
0.78
0.71
0.78
0.74

0.61
0.58
0.62
0.57
0.64
0.57
0.64
0.60

1.96
1.93
1.97
1.92
1.99
1.92
1.99
1.95

0.9

0.76

2.11

5
5
5
5
5
5
5
5
5

6
6
6
6
6
6
6
6
6

0.9
0.89
0.92
0.88
0.69
0.71
0.71
0.715
0.74

0.76
0.75
0.78
0.74
0.55
0.57
0.57
0.58
0.60

2.11
2.10
2.13
2.09
1.90
1.92
1.92
1.93
1.95

6
7
6
6

6
6
6
6

0.56
0.6
0.58
0.69

0.42
0.46
0.44
0.55

1.77
1.81
1.79
1.90

6
6
6
6

6
6
6
6

0.73
0.7
0.74
0.685

0.59
0.56
0.60
0.55

1.94
1.91
1.95
1.90

6
6
6
6

6
6
6
6

0.87
0.85
0.86
0.81

0.73
0.71
0.72
0.67

2.08
2.06
2.07
2.02

7
7

6
6

0.7
0.67

0.56
0.53

1.91
1.88

0.665 0.53

1.88

N
P
Cl
As
Cr
V
Br
Mo
Re
W
Ru
Nb
Ir
Ta
Sb
I
Bi
Am
U
Np
Pa
Pu
Rh
Au
Pt
Os
Tc

5
5
5
5
5
5
5
5
5
5
5
5
5
5
5
5
5
5
5
5
5
5

O
O
O
O
O
O
O
O
O
O
O
O
O
O
O
O
O
O
O
O
O
O

-2
-2
-2
-2
-2
-2
-2
-2
-2
-2
-2
-2
-2
-2
-2
-2
-2
-2
-2
-2
-2
-2

1.432
1.617
1.67
1.767
1.78
1.803
1.84
1.85
1.86
1.89
1.9
1.911
1.916
1.92
1.942
2.003
2.06
2.07
2.075
2.09
2.09
2.11

1.499
1.684
1.737
1.834
1.847
1.870
1.907
1.917
1.927
1.957
1.967
1.978
1.983
1.987
2.009
2.070
2.127
2.134
2.142
2.154
2.154
2.177

1.756
1.941
1.994
2.091
2.104
2.127
2.164
2.174
2.184
2.214
2.224
2.235
2.240
2.244
2.266
2.327
2.384
2.376
2.399
2.396
2.396
2.434

0.289
0.474
0.527
0.624
0.637
0.660
0.697
0.707
0.717
0.747
0.757
0.768
0.773
0.777
0.799
0.860
0.917
0.924
0.932
0.944
0.944
0.967

Fe
Se
Mn
Cr
Re
Ru
Mo
Te
W
Os
Am
U
Pu
Np
Po

6
6
6
6
6
6
6
6
6
6
6
6
6
6
6

O
O
O
O
O
O
O
O
O
O
O
O
O
O

-2
-2
-2
-2
-2
-2
-2
-2
-2
-2
-2
-2
-2
-2
-2

1.76
1.788
1.79
1.794
1.86
1.87
1.907
1.917
1.917
2.03
2.05
2.051
2.06
2.07

1.760
1.788
1.790
1.794
1.860
1.870
1.907
1.917
1.917
2.030
2.050
2.051
2.060
2.070

2.003
2.044
2.046
2.050
2.116
2.113
2.163
2.173
2.173
2.286
2.293
2.411
2.303
2.313

0.55
0.58
0.58
0.58
0.65
0.66
0.70
0.71
0.71
0.82
0.84
0.84
0.85
0.86

Tc
Re
Ru
Pu
Np
Os

7
7
7
7
7
7

O
O
O
O
O
O

-2
-2
-2
-2
-2
-2

1.9
1.97
1.99
2.05
2.06

1.843
1.913
1.933
1.993
2.003

2.099
2.169
2.189
2.249
2.259

0.63
0.70
0.72
0.78
0.79

Michael Lufaso (michael.lufaso@unf.edu)

4 of 4