Structure and Crystallization Behavior of the β Phase of Oleic Acid, страница 5

atom

x

y

z

B_eq

AO1

−0.1752(2)

−0.0672(4)

0.022 26(6)

6.30(7)

AO2

0.0414(2)

−0.2472(4)

0.025 25(6)

6.36(7)

AC1

−0.0884(3)

−0.2365(5)

0.035 02(8)

4.64(8)

AC2

−0.1628(3)

−0.4127(6)

0.062 20(9)

5.06(9)

AC3

−0.0650(3)

−0.5877(6)

0.082 13(9)

4.77(9)

AC4

−0.1484(3)

−0.7428(6)

0.112 33(9)

4.71(8)

AC5

−0.0556(3)

−0.9243(6)

0.133 36(8)

4.51(8)

AC6

−0.1419(3)

−1.0690(6)

0.164 24(8)

4.63(8)

AC7

−0.0532(3)

−1.2571(6)

0.184 97(8)

4.45(8)

AC8

−0.1422(3)

−1.3987(6)

0.215 62(9)

5.11(9)

AC9

−0.0616(3)

−1.6008(5)

0.234 80(8)

4.92(8)

AC10

−0.1168(3)

−1.7296(5)

0.264 01(8)

4.92(8)

AC11

−0.2685(3)

−1.6962(6)

0.283 52(9)

4.97(9)

AC12

−0.3127(3)

−1.8855(5)

0.313 57(8)

4.35(8)

AC13

−0.4632(3)

−1.8323(5)

0.334 64(8)

4.54(8)

AC14

−0.5103(3)

−2.0187(5)

0.365 10(8)

4.53(8)

AC15

−0.6602(3)

−1.9602(6)

0.386 43(9)

4.73(8)

AC16

−0.7104(3)

−2.1477(5)

0.416 62(9)

4.81(8)

AC17

−0.8600(4)

−2.0854(7)

0.437 22(10)

5.87(10)

AC18

−0.9145(5)

−2.2746(9)

0.466 51(11)

7.33(13)

BO1

−0.5549(2)

−1.7213(4)

0.476 03(6)

5.98(7)

BO2

−0.3511(2)

−1.9529(4)

0.471 24(6)

6.02(7)

BC1

−0.4189(3)

−1.7705(5)

0.462 49(7)

4.55(8)

BC2

−0.3602(3)

−1.5853(6)

0.434 37(9)

4.92(9)

BC3

−0.2096(3)

−1.6495(5)

0.414 43(8)

4.57(8)

BC4

−0.1577(3)

−1.4588(5)

0.385 07(9)

4.61(8)

BC5

−0.0087(3)

−1.5188(5)

0.363 70(8)

4.44(8)

BC6

0.0389(3)

−1.3304(5)

0.333 49(8)

4.41(8)

BC7

0.1895(3)

−1.3801(5)

0.312 99(8)

4.37(8)

BC8

0.2336(3)

−1.1909(6)

0.282 86(9)

5.01(8)

BC9

0.3873(3)

−1.2187(5)

0.264 21(8)

4.69(8)

BC10

0.4425(3)

−1.0840(5)

0.235 81(8)

4.72(8)

BC11

0.3613(3)

−0.8809(6)

0.216 91(9)

4.94(9)

BC12

0.4493(3)

−0.7355(5)

0.186 91(8)

4.38(8)

BC13

0.3595(3)

−0.5449(5)

0.166 61(8)

4.40(8)

BC14

0.4459(3)

−0.3943(6)

0.136 45(8)

4.56(8)

BC15

0.3525(3)

−0.2153(6)

0.115 21(8)

4.65(8)

BC16

0.4372(3)

−0.0573(6)

0.085 48(8)

4.83(9)

BC17

0.3419(4)

0.1219(7)

0.064 70(10)

6.00(11)

BC18

0.4228(5)

0.2851(7)

0.035 80(10)

7.03(14)