β-MgMoO4

γ-MgMoO4

压力

0 GPa

1.95 GPa

a = b (Å)

6.867553

6.537456

c (Å)

7.030000

7.611

α = β (˚)

101.68849

107.26796

γ (˚)

84.6237

84.94078

V (Å3)

317.470182

296.619436

x

y

z

x

y

z

Mo1

−0.25340

0.25340

0.50000

0.28603

0.71397

0.50000

Mo2

−0.27120

−0.27120

0.09530

0.28543

1.28543

0.13990

Mg1

−0.82340

0.82340

−0.00000

0.30880

0.69120

0.00000

Mg2

0.19860

0.19860

0.35930

0.30930

1.30930

0.65550

O1

−0.11260

1.19000

0.30360

0.34670

0.64930

0.26070

O2

−1.52090

−0.21730

0.02250

0.01200

0.68140

0.42390

O3

−1.22310

−0.50850

0.61130

0.34730

1.34730

−0.06600

O4

0.13930

1.13930

0.03830

0.31810

1.01210

0.08230

O5

0.20030

0.20030

0.63180

0.34970

0.34970

0.41600