Fractional atom coordinates and isotropic atomic displacement parameters (Å2) for Na2Mn(SO4)2·4H2O and Na2Ni(SO4)2·10H2O.
| Atom | Wyck | x | y | z | U eq/iso* |
|---|---|---|---|---|---|
| Na 2 Mn(SO 4 ) 2 ·4H 2 O | |||||
| Na1 | 4e | 0.12901(9) | 0.92766(6) | 0.36268(5) | 0.02082(16) |
| Mn1 | 2a | 0 | 0.5 | 0.5 | 0.01387(10) |
| S1 | 4e | 0.37292(5) | 0.79212(3) | 0.63561(2) | 0.01132(10) |
| O1 | 4e | 0.20851(18) | 0.91681(12) | 0.57815(8) | 0.0234(3) |
| O2 | 4e | 0.31892(17) | 0.63864(11) | 0.57209(9) | 0.0233(3) |
| O3 | 4e | 0.63145(16) | 0.83269(11) | 0.63209(9) | 0.0222(3) |
| O4 | 4e | 0.34724(18) | 0.77406(12) | 0.76397(8) | 0.0216(3) |
| O5 | 4e | 0.13017(16) | 0.45884(12) | 0.33232(8) | 0.0181(3) |
| H5b | 4e | 0.232(3) | 0.3650(13) | 0.3423(18) | 0.040(5)* |
| H5a | 4e | 0.235(3) | 0.5421(17) | 0.312(2) | 0.053(6)* |
| O6 | 4e | 0.18486(17) | 0.28225(10) | 0.58278(8) | 0.0192(3) |
| H6a | 4e | 0.223(3) | 0.210(2) | 0.5222(13) | 0.053(7)* |
| H6b | 4e | 0.3331(17) | 0.288(2) | 0.6416(12) | 0.039(5)* |
| Na 2 Ni(SO 4 ) 2 ·10H 2 O | |||||
| Na1 | 4e | 0.48096(4) | 0.25441(7) | 0.39586(5) | 0.02511(14) |
| Ni1 | 2c | 1.00000 | 0 | 1/2 | 0.01379(6) |
| S1 | 4e | 0.72260(2) | 0.51630(3) | 0.33017(3) | 0.01445(7) |
| O1 | 4e | 0.79184(6) | 0.42137(12) | 0.24800(9) | 0.0233(2) |
| O2 | 4e | 0.78000(8) | 0.49977(11) | 0.48001(9) | 0.0234(3) |
| O3 | 4e | 0.61500(7) | 0.41153(15) | 0.29742(9) | 0.0296(3) |
| O4 | 4e | 0.70453(7) | 0.73541(11) | 0.29108(9) | 0.0254(2) |
| O5 | 4e | 0.86644(7) | 0.03383(11) | 0.33044(10) | 0.0247(2) |
| H5a | 4e | 0.8331(9) | 0.1634(11) | 0.3001(15) | 0.036(4)* |
| H5b | 4e | 0.8058(7) | −0.0615(16) | 0.309(2) | 0.057(5)* |
| H6a | 4e | 0.9914(11) | 0.294(3) | 0.6835(6) | 0.064(6)* |
| H6b | 4e | 0.9025(7) | 0.342(2) | 0.5531(12) | 0.029(4)* |
| O6 | 4e | 0.97063(7) | 0.27252(11) | 0.58560(8) | 0.0239(2) |
| O7 | 4e | 0.60084(7) | 0.40809(12) | 0.60325(9) | 0.0250(2) |
| H7a | 4e | 0.6193(11) | 0.314(2) | 0.6794(13) | 0.059(5)* |
| H7b | 4e | 0.6698(7) | 0.435(2) | 0.5838(18) | 0.057(5)* |
| O8 | 4e | 0.38581(8) | 0.03475(14) | 0.52844(10) | 0.0287(3) |
| H8a | 4e | 0.3566(12) | 0.123(3) | 0.5863(16) | 0.068(6)* |
| H8b | 4e | 0.3216(8) | −0.023(2) | 0.4645(15) | 0.050(6)* |
| O9 | 4e | 0.90973(6) | −0.16068(11) | 0.61345(8) | 0.0219(2) |
| H9a | 4e | 0.8634(10) | −0.085(2) | 0.6567(16) | 0.044(5)* |
| H9b | 4e | 0.8662(11) | −0.2770(18) | 0.5734(19) | 0.059(5)* |