Nominal composition | a [Å] | V [Å3] | CDS [nm] | Strain [%] | SG | Comment |
---|---|---|---|---|---|---|
LiMn1.9Ni0.1O4 | 8.222(1) | 555.9(2) | 91{1} | 0.25(5) | Fd3m | pure |
LiMn1.8Ni0.2O4 | 8.203(2) | 552.0(2) | 36{7} | 0.25(2) | Fd3m | pure |
LiMn1.7Ni0.3O4 | 8.190(1) | 549.4(2) | 58{32} | 0.40(6) | Fd3m | +2nd phase |
LiMn1.6Ni0.4O4 | 8.190(1) | 549.3(2) | 107{78} | 0.52(5) | Fd3m | +2nd phase |
LiMn1.5Ni0.5O4 | 8.172(2) | 545.8(2) | 43{1} | 0.12(2) | Fd3m | +2nd phase |
LiMn1.5Ni0.5O4 | 8.167(1) | 544.7(2) | 51{10} | 0.0800(1) | Fd3m | [ |
LiMn2O4 | 8.207(1) | 552.8(1) | 80{7} | 0.3101(1) | Fd3m | [ |
Li1.12Mn1.88O4 | 8.2232(4) | 556.1 | Fd3m | [ | ||
Undoped | 8.2228(4) | Fd3m | [ | |||
Ni(II) 0.07 | 8.2156(1) | Fd3m | [ | |||
LiMn1.5Ni0.5O4 | 8.16594(3) | [ | ||||
LiMn1.5Ni0.5O4 | 8.1690 | 36.9 | Fd3m/P4332 | [ |
Component | IS [mm/s] | QS [mm/s] | A [%] |
---|---|---|---|
D1 | 0.347±0.003 | 0.643±0.040 | 65.17 |
D2 | 0.354±0.003 | 0.846±0.032 | 34.83 |
x | Anion parameter | Size K00 | Size K41 | Strain S400 | Strain S220 | ADP [Å2] | ||
---|---|---|---|---|---|---|---|---|
Li | Mn/Fe | O | ||||||
0.1 | 0.2704(3) | 1.55(2) | – | 0.23(1) | – | 6.3(9) | 4.68(8) | 5.5(2) |
0.2 | 0.2695(3) | 2.3(3) | – | 0.19(2) | – | 2.8(7) | 3.82(8) | 4.7(2) |
0.3 | 0.2697(3) | 2.00(3) | – | 0.25(2) | – | 3.7(8) | 4.2(1) | 5.1(1) |
0.4 | 0.2663(2) | 0.40(1) | – | 0.48(1) | – | 1.0(4) | 3.22(5) | 4.2(1) |
0.5 | 0.2646(2) | 0.88(2) | – | 0.60(1) | – | –0.1(3) | 2.66(5) | 3.8(1) |
Nominal composition | a [Å] | V [Å3] | CDS [nm] | Strain [%] | SG | Comment |
---|---|---|---|---|---|---|
LiMn1.9Fe0.1O4 | 8.241(1) | 559.7(1) | 64{1} | 0.15(3) | Fd3m | pure |
LiMn1.8Fe0.2O4 | 8.241(1) | 559.7(1) | 43{1} | 0.14(2) | Fd3m | pure |
LiMn1.7Fe0.3O4 | 8.2454(8) | 560.54(9) | 50{1} | 0.15(2) | Fd3m | pure |
LiMn1.6Fe0.4O4 | 8.2546(6) | 562.46(7) | 250{1} | 0.22(4) | Fd3m | pure |
LiMn1.5Fe0.5O4 | 8.2547(6) | 562.47(7) | 113{1} | 0.24(4) | Fd3m | pure |
LiMn2O4 | 8.207(1) | 552.8(1) | 80{7} | 0.3101(1) | Fd3m | [ |
Li1.12Mn1.88O4 | 8.2232(4) | 556.1 | Fd3m | [ | ||
Undoped | 8.2228(4) | Fd3m | [ | |||
LiMn1.5Fe0.5O4 | 8.258(1) | 563.1(2) | 51{3} | 0.2444(1) | Fd3m | [ |
x | Anion parameter | Size K00 | Size K41 | Strain S400 | Strain S220 | ADP [Å2] | ||
---|---|---|---|---|---|---|---|---|
Li | Mn/Ni | O | ||||||
0.1 | 0.2697(3) | 1.10(2) | – | 0.62(2) | – | 3.3(7) | 3.87(7) | 3.7(1) |
0.2 | 0.2686(4) | 3.00(9) | 1.3(2) | 0.22(5) | 1.0(2) | 12(1) | 3.67(9) | 3.3(1) |
0.3 | 0.2587(3) | 2.56(7) | 2.6(2) | 0.36(6) | 3.3(2) | 3.0(fix) | 2.04(6) | 2.8(1) |
0.4 | 0.2594(3) | 1.60(7) | 1.8(1) | 0.98(7) | 4.7(2) | 3.0(fix) | 1.70(5) | 2.7(1) |
0.5 | 0.2710(3) | 2.34(4) | – | 0.15(2) | – | 9.0(1.0) | 4.4(1) | 3.3(2) |
XPS | Li/(Mn+Ni) | PGAA | Mn3+/Mn4+ | Theta | µeff (µB) | µeff (µB) |
---|---|---|---|---|---|---|
Li1.16Mn1.82Ni0.13O3.89 | 0.60 | LiMn1.64Ni0.09 Oy | 0.61 | 16 | 6.1 | 5.9 Mn3+(HS), Mn4+, Ni2+ |
Li1.36Mn1.93Ni0.2703.46 | 0.62 | LiMn1.44Ni0.16 Oy | 0.59 | 40 | 5.9 | 6.1 Mn3+(HS), Mn4+, Ni2+ |
*Li1.16Mn1.65Ni0.2803.92 | 0.60 | LiMn1.54Ni0.28 Oy | 0.67 | 51 | 4.3 | 4.6 Mn3+(LS), Mn4+, Ni2+ |
*Li1.01Mn1.73Ni0.41O3.82 | 0.47 | LiMn1.33Ni0.34 Oy | 0.64 | 110 | 3.7 | 5.0 Mn3+(LS), Mn4+, Ni2+ |
*Li1.17Mn1.59Ni0.67O3.58 | 0.52 | LiMn1.29Ni0.44 Oy | 0.95 | 169 | 2.5 | 4.9 Mn3+(LS), Mn4+, Ni2+ |
XPS | Li/(Mn+Fe) | Mn3+/Mn4+ | Theta | µeff (µB)exp. | µeff (µB)calc. |
---|---|---|---|---|---|
Li1.18Mn1.78Fe0.12O3.92 | 0.62 | 1.54 | 128 | 4.88 | 4.88 0.75Mn3+(LS) + 0.25Mn3+(HS), Mn4+, Fe3+(LS) |
Li1.17Mn1.80Fe0.17O3.87 | 0.59 | 1.17 | 100 | 4.86 | 4.85 0.82Mn3+(LS) + 0.18Mn3+(HS), Mn4+, Fe3+(LS) |
Li1.37Mn1.70Fe0.21O3.70 | 0.71 | 1.09 | 89 | 5.65 | 5.62 0.4Mn3+(LS) + 0.6Mn3+(HS), Mn4+, Fe3+(HS) |
Li1.23Mn1.82Fe0.27O3.67 | 0.59 | 1.33 | 288 | 5.20 | 5.21 0.8Mn3+(LS) + 0.2Mn3+(HS), Mn4+, 2/3Fe3+(LS) + 1/3Fe3+(HS) |
Li0.91Mn1.66Fe0.31O4.12 | 0.46 | 1.76 | – | – | – |