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Table 4 Unit cell parameters in crystalline phases with weight fractions higher than 8% from Mg x Cu 3-x V 2 O 8 (0 ≤ x ≤ 3) compositions fired at 600°C/12 h

From: Structural characterization and colour of MgxCu3-xV2O8 (0 ≤ x ≤ 3) and MgyCu2-yV2O7 (0 ≤ y ≤ 2) compositions

x

Crystalline phases (weight fractions)

Unit cell parameters (Å and degrees)

0.00

CT (75.02 %)

a = 5.18451(7) b = 5.34518(8) c = 6.51005(7)

α = 69.261(1) β = 88.644(1) γ= 68.99(1)

C1 (12.83 %)

a = 8.4016(3) b = 20.666(1) c = 6.4433(2)

α = 90.00 β = 90.00 γ = 90.0

C2 (12.16 %)

a = 7.6982(6) b = 8.0361(9) c = 10.112(1)

α = 90.00 β = 110.29(1) γ = 90.00

0.50

CT (64.09 %)

a = 5.1861(2) b = 5.3448(2) c = 6.5457(2)

α = 69.039(3) β = 88.500(4) γ = 68.036(3)

C2 (21.23 %)

a = 7.6404(7) b = 8.1244(9) c = 10.116(1)

α = 90.00 β = 110.66(1) γ = 90.00

M (11.41 %)

a = 6.611(1) b = 8.314(2) c = 9.483(1)

α = 90.00 β = 100.54(2) γ = 90.00

1.00

CT (23.62 %)

a = 5.1925(3) b = 5.3492(3) c = 6.5674(3)

α = 68.997(5) β = 88.449(6) γ = 67.980(5)

C2 (19.24 %)

a = 7.6147(5) b = 8.1294(6) c = 10.1159(6)

α = 90.00 β = 110.374(6) γ = 90.00

MO (18.80 %)

a = 6.0533(5) b = 11.098(1) c = 8.4009(8)

α = 90.00 β = 90.00 γ = 90.00

M (26.46 %)

a = 6.5954(4) b = 8.3555(4) c = 9.4997(6)

α = 90.00 β = 100.520(5) γ = 90.00

CM (13.71 %)

a = 6.1842(7) b = 8.084(1) c = 6.3181(9)

α = 90.00 β = 111.38(1) γ = 90.00

1.50

CM (100 %)

a = 6.3729(1) b = 8.1626(2) c = 6.1790(1)

α = 90.00 β = 115,608(2) γ = 90.00

2.00

CM (73.01 %)

a = 6.5984(3) b = 8.1901(3) c = 6.1459(3)

α = 90.00 β = 119.656(2) γ = 90.00

MO (26.99 %)

a = 6.0787(3) b = 11.4674(8) c = 8.2078(5)

α = 90.00 β = 90.00 γ = 90.00

2.50

MO (92.55 %)

a = 6.0975(1) b = 11.4523(2) c = 8.2555(2)

α = 90.00 β = 90.00 γ = 90.00

3.00

MO (80.94 %)

a = 6.0613(3) b = 11.4395(5) c = 8.3115(4)

α = 90.00 β = 90.00 γ = 90.00

M (19.06 %)

a = 6.6051(5) b = 8.4106(6) c = 9.4815(8)

α = 90.00 β = 100.626(8) γ = 90.00

  1. Crystalline phases: CT = Cu3V2O8 (triclinic), CM = Cu3V2O8 (monoclinic), MO = Mg3V2O8 (orthorhombic), C1 = α-Cu2V2O7 (orthorhombic), C2 = β-Cu2V2O7 (monoclinic), M = α-Mg2V2O7 (monoclinic).