TY - JOUR
T1 - Crystal structure of the commensurately modulated ζ phase of PAMC
AU - Harris, P.
AU - Larsen, F.K.
AU - Lebech, B.
AU - Achiwa, N.
PY - 1994
Y1 - 1994
N2 - The commensurately modulated zeta low-temperature phase of bis(propylammonium) tetrachloromanganate(II), [NH3(C3H7)]2MnCl4, has been determined at 8 K. a = 7.437 (5), b = 7.082 (5), c = 13.096 (8) Angstrom, alpha = 105.59 (1)degrees. Superspace group P2(1)/b(0 beta 0)(1) over bar s, with beta = 1/3, V = 664.4, Z = 2 D-x = 1.58 g cm(-3) Mo K alpha radiation, lambda = 0.71069 Angstrom, mu = 17.99 cm(-1) F(000) = 326, wR(F) = 0.064 for 1444 main reflections and wR(F) = 0.089 for 248 satellite reflections. The modulation vector flips and locks into a commensurate value compared with the epsilon phase, indicating a 'lock-in' and phase shift between adjacent modulated layers. The modulation waves do not change much from the values of the epsilon phase, which confirms the lock-in of the modulation vector; only some components of the modulations of the propylammonium chains appear to be significantly different, these chains appear to be responsible for the phase shift across the layers.
AB - The commensurately modulated zeta low-temperature phase of bis(propylammonium) tetrachloromanganate(II), [NH3(C3H7)]2MnCl4, has been determined at 8 K. a = 7.437 (5), b = 7.082 (5), c = 13.096 (8) Angstrom, alpha = 105.59 (1)degrees. Superspace group P2(1)/b(0 beta 0)(1) over bar s, with beta = 1/3, V = 664.4, Z = 2 D-x = 1.58 g cm(-3) Mo K alpha radiation, lambda = 0.71069 Angstrom, mu = 17.99 cm(-1) F(000) = 326, wR(F) = 0.064 for 1444 main reflections and wR(F) = 0.089 for 248 satellite reflections. The modulation vector flips and locks into a commensurate value compared with the epsilon phase, indicating a 'lock-in' and phase shift between adjacent modulated layers. The modulation waves do not change much from the values of the epsilon phase, which confirms the lock-in of the modulation vector; only some components of the modulations of the propylammonium chains appear to be significantly different, these chains appear to be responsible for the phase shift across the layers.
KW - Materialer med særlige fysiske og kemiske egenskaber
U2 - 10.1107/S0108768194003411
DO - 10.1107/S0108768194003411
M3 - Journal article
SN - 1600-5740
SN - 2052-5206
VL - 50
SP - 676
EP - 684
JO - Acta Cryst. B
JF - Acta Cryst. B
ER -