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Table 3 Einstein model fitting parameters

From: The effect of temperature and pressure on the crystal structure of piperidine

 

X 0 /Ã… or Ã… 3

X 1 /Ã… or Ã… 3

X 2 /Ã… or Ã… 3

Θ 1 /K

Θ 2 /K

V

531.142(13)

12.4(3)

116(7)

101.6(14)

773(18)

a

8.59703(13)

0.108(3)

1.52(16)

118(2)

936(33)

b

5.21490(4)

0.0481(12)

0.40(3)

117.1(17)

791(22)

c

11.93275(9)

0.0246(16)

0.090(8)

48(2)

431(33)

  1. The variation in the angle β was modelled with the equation β = 96.8752(10) + 0.126(7)T‘ − 0.231(12)T’2 + 0.084(7)T‘3 − 0.0130(15)T‘ 4, where T’ = T/100.