1# flake8: noqa 

2""" Van der Waals radii in [A] taken from: 

3A cartography of the van der Waals territories 

4S. Alvarez, Dalton Trans., 2013, 42, 8617-8636 

5DOI: 10.1039/C3DT50599E 

6""" 

7 

8import numpy as np 

9 

10vdw_radii = np.array([ 

11 np.nan, # X  

12 1.2, # H  

13 1.43, # He [larger uncertainty] 

14 2.12, # Li  

15 1.98, # Be  

16 1.91, # B  

17 1.77, # C  

18 1.66, # N  

19 1.5, # O  

20 1.46, # F  

21 1.58, # Ne [larger uncertainty] 

22 2.5, # Na  

23 2.51, # Mg  

24 2.25, # Al  

25 2.19, # Si  

26 1.9, # P  

27 1.89, # S  

28 1.82, # Cl  

29 1.83, # Ar  

30 2.73, # K  

31 2.62, # Ca  

32 2.58, # Sc  

33 2.46, # Ti  

34 2.42, # V  

35 2.45, # Cr  

36 2.45, # Mn  

37 2.44, # Fe  

38 2.4, # Co  

39 2.4, # Ni  

40 2.38, # Cu  

41 2.39, # Zn  

42 2.32, # Ga  

43 2.29, # Ge  

44 1.88, # As  

45 1.82, # Se  

46 1.86, # Br  

47 2.25, # Kr  

48 3.21, # Rb  

49 2.84, # Sr  

50 2.75, # Y  

51 2.52, # Zr  

52 2.56, # Nb  

53 2.45, # Mo  

54 2.44, # Tc  

55 2.46, # Ru  

56 2.44, # Rh  

57 2.15, # Pd  

58 2.53, # Ag  

59 2.49, # Cd  

60 2.43, # In  

61 2.42, # Sn  

62 2.47, # Sb  

63 1.99, # Te  

64 2.04, # I  

65 2.06, # Xe  

66 3.48, # Cs  

67 3.03, # Ba  

68 2.98, # La  

69 2.88, # Ce  

70 2.92, # Pr  

71 2.95, # Nd  

72 np.nan, # Pm  

73 2.9, # Sm  

74 2.87, # Eu  

75 2.83, # Gd  

76 2.79, # Tb  

77 2.87, # Dy  

78 2.81, # Ho  

79 2.83, # Er  

80 2.79, # Tm  

81 2.8, # Yb  

82 2.74, # Lu  

83 2.63, # Hf  

84 2.53, # Ta  

85 2.57, # W  

86 2.49, # Re  

87 2.48, # Os  

88 2.41, # Ir  

89 2.29, # Pt  

90 2.32, # Au  

91 2.45, # Hg  

92 2.47, # Tl  

93 2.6, # Pb  

94 2.54, # Bi  

95 np.nan, # Po  

96 np.nan, # At  

97 np.nan, # Rn  

98 np.nan, # Fr  

99 np.nan, # Ra  

100 2.8, # Ac [larger uncertainty] 

101 2.93, # Th  

102 2.88, # Pa [larger uncertainty] 

103 2.71, # U  

104 2.82, # Np  

105 2.81, # Pu  

106 2.83, # Am  

107 3.05, # Cm [larger uncertainty] 

108 3.4, # Bk [larger uncertainty] 

109 3.05, # Cf [larger uncertainty] 

110 2.7, # Es [larger uncertainty] 

111 np.nan, # Fm  

112 np.nan, # Md  

113 np.nan, # No  

114 np.nan, # Lr 

115]) 

116vdw_radii.flags.writeable = False