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Structure des Matériaux Partie I, Cristallographie - IUT Annecy

Structure des Matériaux Partie I, Cristallographie - IUT Annecy

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Ca 4.78 Cu 6 O 11.60<br />

Système cristallin :<br />

monoclinique<br />

Mode du réseau de Bravais : primitif<br />

Groupe d’espace : P2/c (n° 13)<br />

a = 10.9456(4) Å<br />

b = 6.3192(2) Å<br />

c = 16.8408(5) Å<br />

β = 104.952(2)°<br />

V = 1125.39(6) Å 3<br />

Z = 4 ; D x = 4.48(2) Mg m -3<br />

Atom WP Neutrons, 1.5944Å<br />

x y z B(Å2) occ.<br />

Cu1 2a 0 0 0 0.52(3)<br />

Cu2 4g -0.003(1) 0.0073(16) 0.1698(6) 0.52(3)<br />

Cu3 4g -0.005(1) 0.5155(15) 0.0770(6) 0.52(3)<br />

Cu4 2e 0 0.5178(22) 1/4 0.52(3)<br />

Cu5 2d 1/2 0 0 0.52(3)<br />

Cu6 4g 0.499(1) 0.0158(16) 0.1660(6) 0.52(3)<br />

Cu7 4g 0.497(1) 0.5047(21) 0.0807(8) 0.52(3)<br />

Cu8 2f 1/2 0.508(3) 1/4 0.52(3)<br />

Ca1 4g 0.2447(18) 0.745(3) 0.4515(10) 0.43(6)<br />

Ca2 4g 0.2467(18) 0.743(3) 0.0479(10) 0.43(6)<br />

Ca3 4g 0.2593(22) 0.745(4) 0.8565(11) 0.43(6) 0.78(3)<br />

Ca4 4g 0.2513(18) 0.748(3) 0.6555(9) 0.43(6)<br />

Ca5 4g 0.2593(16) 0.751(3) 0.2680(8) 0.43(6)<br />

O1 4g 0.3743(13) -0.077(2) 0.3906(9) 0.58(3)<br />

O2 4g 0.3768(16) 0.0664(25) 0.0689(9) 0.58(3)<br />

O3 4g 0.3864(16) -0.003(3) 0.2311(10) 0.58(3) 0.89(4)<br />

O4 4g 0.1261(14) -0.041(2) 0.1057(9) 0.58(3)<br />

O5 4g 0.1285(14) 0.0717(24) 0.4363(9) 0.58(3)<br />

O6 4g 0.1149(18) 0.0265(23) 0.2678(11) 0.58(3) 0.90(4)<br />

O7 4g 0.1214(15) 0.4442(24) 0.0231(9) 0.58(3)<br />

O8 4g 0.1244(16) 0.5413(25) 0.3472(10) 0.58(3)<br />

O9 4g 0.1242(15) 0.5280(21) 0.1880(9) 0.58(3) 0.93(4)<br />

O10 4g 0.3868(14) 0.4484(23) 0.4760(9) 0.58(3)<br />

O11 4g 0.3769(14) 0.5422(22) 0.1498(10) 0.58(3)<br />

O12 4g 0.3895(15) 0.4775(24) 0.3074(10) 0.58(3) 0.88(4)<br />

<strong>Structure</strong> <strong>des</strong> <strong>Matériaux</strong> 2011 – <strong>IUT</strong> <strong>Annecy</strong> – Mesures Physiques PG – <strong>Partie</strong> I 35

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