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. 2020 Mar 11;10(18):10420–10430. doi: 10.1039/d0ra00301h

Interatomic distances (in Å) and bond valence sums (BVS) for Na2Mn(SO4)2·4H2O and Na2Ni(SO4)2·10H2Oa.

Distances (Å) Distances (Å)
Na 2 Mn(SO 4 ) 2 ·4H 2 O Na 2 Ni(SO 4 ) 2 ·10H 2 O
Na1–O1 2.3831(10) Na1–O3 2.3956(11)
Na1–O3 2.3952(11) Na1–O4 2.5474(9)
Na1–O5 2.4111(9) Na1–O7 2.4138(9)
Na1–O4 2.4490(11) Na1–O7 2.4159(9)
Na1–O1 2.4623(12) Na1–O8 2.4671(12)
Na1–O6 2.6162(11) Na1–O8 2.4821(10)
dNa1–O 〈2.4528〉 dNa1–O 〈2.4537〉
BVS b1.06[6] BVS b1.04[6]
Mn1–O2 (×2) 2.1475(9) Ni1–O5 (×2) 2.0365(8)
Mn1–O5 (×2) 2.1593(9) Ni1–O6 (×2) 2.0409(8)
Mn1–O6 (×2) 2.2088(9) Ni1–O9 (×2) 2.0892(9)
dMn1–O 〈2.1718〉 dNi1–O 〈2.0555〉
BVS b2.14[6] BVS b2.03[6]
S1–O1 1.4565(10) S1–O1 1.4842(10)
S1–O2 1.4707(10) S1–O2 1.4772(9)
S1–O3 1.4794(9) S1–O3 1.4607(9)
S1–O4 1.4807(10) S1–O4 1.4738(7)
dS1–O 〈1.4718〉 dS1–O 〈1.4740〉
BVS b6.03[4] BVS b6.00[4]
a

Average distances are given in 〈 〉 and coordination numbers are given in [ ].

b

Bond valence sum, B.V. = e(r0r)/b with the following parameters: b = 0.37, r0 (NaI–O) = 1.803, r0 (SVI–O) = 1.624, r0 (NiII–O) = 1.654 and r0 (MnII–O) = 1.624.