Geoscience ›› 2025, Vol. 39 ›› Issue (03): 704-714.DOI: 10.19657/j.geoscience.1000-8527.2024.042
• Machine Learning and Its Applications in Mineralogy • Previous Articles Next Articles
XU Jingjing1,2(), LI Lin1,2,*(
), YANG Xiaonan3
Online:
2025-06-10
Published:
2025-07-03
Contact:
LI Lin
CLC Number:
XU Jingjing, LI Lin, YANG Xiaonan. Research on the Atomic Level Structure Effects by Rare Earth Elements Substitutions in Allanite of Different Occurrence[J]. Geoscience, 2025, 39(03): 704-714.
ICP-MS | ||
---|---|---|
Thermo Finnigan ElementII 扇形磁场高分辨质谱 | ||
RF功率 | Forward power | 1200 W |
冷却气(Ar) | Cooling gas | 16.25 Lmin-1 |
辅助气(Ar) | Auxiliary gas | 0.9 Lmin-1 |
样品气(Ar) | Sample gas | 0.85 Lmin-1 |
载气(He) | Carrier gas | 0.82 Lmin-1 |
Laser | ||
New Wave ResearchESI 193nm ArF激光器 | ||
波长 | Wavelength | 193 nm |
激光斑束 | Spot size | 40 μm |
频率 | Repetition | 8 Hz |
激光能量密度 | Laserenergy | ~3J/cm2 |
分析方法 | Data acquisition parameters | |
分辨率 | Resolution | 低 |
扫描模式 | Scan mode | E-Scan |
磁定位时间 | Settling time | 0.001-0.300 s |
点分析时间 | Sample time | 4 ms |
分析点数/质量峰 | Samples per peak | 100 |
总扫描次数 | Number of Scans | 80 |
背景采集时间 | Background collection | 20 s |
激光剥蚀时间 | Ablation | 40 s |
吹扫时间 | Washout | 20 s |
标准样品 | External standard | NIST 610/NIST 612/KL2G |
数据处理 | Data reduction | 多外标结合内标基体归一定量 |
Table 1 Parameters of LA-ICP-(SF)MS
ICP-MS | ||
---|---|---|
Thermo Finnigan ElementII 扇形磁场高分辨质谱 | ||
RF功率 | Forward power | 1200 W |
冷却气(Ar) | Cooling gas | 16.25 Lmin-1 |
辅助气(Ar) | Auxiliary gas | 0.9 Lmin-1 |
样品气(Ar) | Sample gas | 0.85 Lmin-1 |
载气(He) | Carrier gas | 0.82 Lmin-1 |
Laser | ||
New Wave ResearchESI 193nm ArF激光器 | ||
波长 | Wavelength | 193 nm |
激光斑束 | Spot size | 40 μm |
频率 | Repetition | 8 Hz |
激光能量密度 | Laserenergy | ~3J/cm2 |
分析方法 | Data acquisition parameters | |
分辨率 | Resolution | 低 |
扫描模式 | Scan mode | E-Scan |
磁定位时间 | Settling time | 0.001-0.300 s |
点分析时间 | Sample time | 4 ms |
分析点数/质量峰 | Samples per peak | 100 |
总扫描次数 | Number of Scans | 80 |
背景采集时间 | Background collection | 20 s |
激光剥蚀时间 | Ablation | 40 s |
吹扫时间 | Washout | 20 s |
标准样品 | External standard | NIST 610/NIST 612/KL2G |
数据处理 | Data reduction | 多外标结合内标基体归一定量 |
元素 | M14556 | M14558 | 000468 -001 | M14817 | 000481 -004 | 000481 -007 | 21DBX 84015 | 000894 -039(2) | M01229 | M07315 | 绿帘石 |
---|---|---|---|---|---|---|---|---|---|---|---|
Ca | 124626 | 121816 | 101786 | 91914 | 70393 | 84135 | 116921 | 98325 | 105225 | 87164 | 237827 |
Si | 339584 | 341125 | 328819 | 304224 | 307623 | 302276 | 317387 | 324656 | 313571 | 291979 | 351786 |
Fe | 137176 | 147008 | 155652 | 129665 | 262869 | 267067 | 165859 | 171336 | 176466 | 256783 | 105928 |
Al | 175447 | 166683 | 157366 | 189493 | 39850 | 59919 | 163741 | 138685 | 138833 | 82166 | 263848 |
Mg | 7675 | 5470 | 11216 | 11932 | 2825 | 3341 | 4194 | 11237 | 8200 | 8852 | 577 |
Mn | 4731 | 2607 | 3441 | 6791 | 6432 | 6300 | 3741 | 4376 | 4310 | 1963 | 441 |
Ti | 14748 | 9083 | 6611 | 12203 | 40111 | 24807 | 4928 | 4531 | 6013 | 1003 | 474 |
La | 44436 | 51202 | 51557 | 58732 | 68082 | 66384 | 53382 | 58821 | 62184 | 65645 | 5 |
Ce | 83329 | 87594 | 94578 | 101579 | 111824 | 110948 | 89176 | 104333 | 103289 | 110155 | 15 |
Pr | 7700 | 8101 | 8791 | 8074 | 10993 | 10428 | 9351 | 9670 | 8989 | 10393 | 3 |
Nd | 26088 | 19849 | 27612 | 23511 | 40305 | 40599 | 32107 | 29402 | 27111 | 29376 | 14 |
Sm | 3174 | 1523 | 2525 | 2613 | 6874 | 6851 | 2514 | 2376 | 1871 | 2831 | 4 |
Th | 14618 | 5848 | 6059 | 12259 | 8504 | 7591 | 1462 | 124 | 140 | 101 | 0 |
U | 141 | 177 | 14 | 191 | 821 | 257 | 14 | 4 | 5 | 1 | 0 |
Sr | 398 | 352 | 550 | 2 | 259 | 192 | 655 | 336 | 497 | 8 | 8553 |
Table 2 In situ compositional analysis data (ppm) of single crystals of allanite and epidote by LA-ICP-MS
元素 | M14556 | M14558 | 000468 -001 | M14817 | 000481 -004 | 000481 -007 | 21DBX 84015 | 000894 -039(2) | M01229 | M07315 | 绿帘石 |
---|---|---|---|---|---|---|---|---|---|---|---|
Ca | 124626 | 121816 | 101786 | 91914 | 70393 | 84135 | 116921 | 98325 | 105225 | 87164 | 237827 |
Si | 339584 | 341125 | 328819 | 304224 | 307623 | 302276 | 317387 | 324656 | 313571 | 291979 | 351786 |
Fe | 137176 | 147008 | 155652 | 129665 | 262869 | 267067 | 165859 | 171336 | 176466 | 256783 | 105928 |
Al | 175447 | 166683 | 157366 | 189493 | 39850 | 59919 | 163741 | 138685 | 138833 | 82166 | 263848 |
Mg | 7675 | 5470 | 11216 | 11932 | 2825 | 3341 | 4194 | 11237 | 8200 | 8852 | 577 |
Mn | 4731 | 2607 | 3441 | 6791 | 6432 | 6300 | 3741 | 4376 | 4310 | 1963 | 441 |
Ti | 14748 | 9083 | 6611 | 12203 | 40111 | 24807 | 4928 | 4531 | 6013 | 1003 | 474 |
La | 44436 | 51202 | 51557 | 58732 | 68082 | 66384 | 53382 | 58821 | 62184 | 65645 | 5 |
Ce | 83329 | 87594 | 94578 | 101579 | 111824 | 110948 | 89176 | 104333 | 103289 | 110155 | 15 |
Pr | 7700 | 8101 | 8791 | 8074 | 10993 | 10428 | 9351 | 9670 | 8989 | 10393 | 3 |
Nd | 26088 | 19849 | 27612 | 23511 | 40305 | 40599 | 32107 | 29402 | 27111 | 29376 | 14 |
Sm | 3174 | 1523 | 2525 | 2613 | 6874 | 6851 | 2514 | 2376 | 1871 | 2831 | 4 |
Th | 14618 | 5848 | 6059 | 12259 | 8504 | 7591 | 1462 | 124 | 140 | 101 | 0 |
U | 141 | 177 | 14 | 191 | 821 | 257 | 14 | 4 | 5 | 1 | 0 |
Sr | 398 | 352 | 550 | 2 | 259 | 192 | 655 | 336 | 497 | 8 | 8553 |
样品编号 | a(Å) | b(Å) | c(Å) | β(°) | V(Å3) |
---|---|---|---|---|---|
M14556 | 8.918(1) | 5.724(1) | 10.181(1) | 115.06(1) | 470.74(7) |
M14558 | 8.947(1) | 5.747(1) | 10.195(1) | 115.02(4) | 474.89(1) |
000468-001 | 8.960(2) | 5.761(1) | 10.223(2) | 115.16(2) | 477.64(2) |
M14817 | 8.926(1) | 5.770(1) | 10.146(3) | 114.82(1) | 474.30(5) |
000481-004 | 8.972(1) | 5.823(1) | 10.297(3) | 115.37(2) | 486.07(1) |
000481-007 | 8.985(1) | 5.808(1) | 10.294(1) | 115.24(1) | 485.87(1) |
21DBX84015 | 8.935(1) | 5.761(1) | 10.182(1) | 114.97(1) | 475.12(1) |
000894-039(2) | 8.920(1) | 5.762(3) | 10.132(2) | 114.71 (1) | 473.13(7) |
M01229 | 8.941(3) | 5.739(3) | 10.225(3) | 115.18(4) | 474.83(1) |
M07315 | 8.941(1) | 5.813(1) | 10.170(1) | 114.75(2) | 479.94(1) |
Table 3 Details of cell parameters of allanite samples from different occurrence
样品编号 | a(Å) | b(Å) | c(Å) | β(°) | V(Å3) |
---|---|---|---|---|---|
M14556 | 8.918(1) | 5.724(1) | 10.181(1) | 115.06(1) | 470.74(7) |
M14558 | 8.947(1) | 5.747(1) | 10.195(1) | 115.02(4) | 474.89(1) |
000468-001 | 8.960(2) | 5.761(1) | 10.223(2) | 115.16(2) | 477.64(2) |
M14817 | 8.926(1) | 5.770(1) | 10.146(3) | 114.82(1) | 474.30(5) |
000481-004 | 8.972(1) | 5.823(1) | 10.297(3) | 115.37(2) | 486.07(1) |
000481-007 | 8.985(1) | 5.808(1) | 10.294(1) | 115.24(1) | 485.87(1) |
21DBX84015 | 8.935(1) | 5.761(1) | 10.182(1) | 114.97(1) | 475.12(1) |
000894-039(2) | 8.920(1) | 5.762(3) | 10.132(2) | 114.71 (1) | 473.13(7) |
M01229 | 8.941(3) | 5.739(3) | 10.225(3) | 115.18(4) | 474.83(1) |
M07315 | 8.941(1) | 5.813(1) | 10.170(1) | 114.75(2) | 479.94(1) |
晶胞参数 | 褐帘石(M07315) | 红帘石 | 绿帘石 |
---|---|---|---|
a | 8.941(1) Å | 8.889(2) Å | 8.883(1) Å |
b | 5.813(1) Å | 5.652(1) Å | 5.625(2) Å |
c | 10.170(1) Å | 10.163(1) Å | 10.146(1) Å |
V | 479.94(1) Å3 | 461.31(6)Å3 | 457.93(4) Å3 |
β | 114.75(2)° | 115.37(5)° | 115.41(1)° |
V(A1) | 16.6176 Å3 | 16.0794 Å3 | 16.0028 Å3 |
V(A2) | 28.7771Å3 | 28.6230Å3 | 28.4066Å3 |
V(M1) | 10.8629Å3 | 9.3260 Å3 | 9.2304 Å3 |
V(M2) | 9.2198 Å3 | 8.8631 Å3 | 8.8158 Å3 |
V(M3) | 13.0270 Å3 | 11.0798Å3 | 10.8271 Å3 |
Table 4 Refined data on the cell parameters of allanite, piemontite and epidote
晶胞参数 | 褐帘石(M07315) | 红帘石 | 绿帘石 |
---|---|---|---|
a | 8.941(1) Å | 8.889(2) Å | 8.883(1) Å |
b | 5.813(1) Å | 5.652(1) Å | 5.625(2) Å |
c | 10.170(1) Å | 10.163(1) Å | 10.146(1) Å |
V | 479.94(1) Å3 | 461.31(6)Å3 | 457.93(4) Å3 |
β | 114.75(2)° | 115.37(5)° | 115.41(1)° |
V(A1) | 16.6176 Å3 | 16.0794 Å3 | 16.0028 Å3 |
V(A2) | 28.7771Å3 | 28.6230Å3 | 28.4066Å3 |
V(M1) | 10.8629Å3 | 9.3260 Å3 | 9.2304 Å3 |
V(M2) | 9.2198 Å3 | 8.8631 Å3 | 8.8158 Å3 |
V(M3) | 13.0270 Å3 | 11.0798Å3 | 10.8271 Å3 |
占位 | 褐帘石 | 绿帘石 | 红帘石 |
---|---|---|---|
M1 | Fe0.89Mg0.07Mn0.016Ti0.02 | Al0.95Fe0.05 | Al0.8Mn0.15Fe0.05 |
M2 | Al0.68Fe0.32 | Al1.00 | Al1.00 |
M3 | Fe0.99Mn0.01 | Fe0.85Al0.15 | Mn0.66Fe0.27Al0.07 |
A1 | Ca0.55Ce0.44 | Ca1.00 | Ca1.00 |
A2 | Ca0.007La0.41Ce0.343Nd0.18Pr0.06 | Ca1.00 | Ca0.80Sr0.20 |
Si1 | Si1.00 | Si1.00 | Si1.00 |
Si2 | Si1.00 | Si1.00 | Si1.00 |
Si3 | Si1.00 | Si1.00 | Si1.00 |
O1 | O1.00 | O1.00 | O1.00 |
O2 | O1.00 | O1.00 | O1.00 |
O3 | O1.00 | O1.00 | O1.00 |
O4 | O1.00 | O1.00 | O1.00 |
O5 | O1.00 | O1.00 | O1.00 |
O6 | O1.00 | O1.00 | O1.00 |
O7 | O1.00 | O1.00 | O1.00 |
O8 | O1.00 | O1.00 | O1.00 |
O9 | O1.00 | O1.00 | O1.00 |
O10 | O1.00 | O1.00 | O1.00 |
H10 | H1.00 | H1.00 | H1.00 |
Table 5 Percentage of each positive ion cation in allanite, epidote and piemontite
占位 | 褐帘石 | 绿帘石 | 红帘石 |
---|---|---|---|
M1 | Fe0.89Mg0.07Mn0.016Ti0.02 | Al0.95Fe0.05 | Al0.8Mn0.15Fe0.05 |
M2 | Al0.68Fe0.32 | Al1.00 | Al1.00 |
M3 | Fe0.99Mn0.01 | Fe0.85Al0.15 | Mn0.66Fe0.27Al0.07 |
A1 | Ca0.55Ce0.44 | Ca1.00 | Ca1.00 |
A2 | Ca0.007La0.41Ce0.343Nd0.18Pr0.06 | Ca1.00 | Ca0.80Sr0.20 |
Si1 | Si1.00 | Si1.00 | Si1.00 |
Si2 | Si1.00 | Si1.00 | Si1.00 |
Si3 | Si1.00 | Si1.00 | Si1.00 |
O1 | O1.00 | O1.00 | O1.00 |
O2 | O1.00 | O1.00 | O1.00 |
O3 | O1.00 | O1.00 | O1.00 |
O4 | O1.00 | O1.00 | O1.00 |
O5 | O1.00 | O1.00 | O1.00 |
O6 | O1.00 | O1.00 | O1.00 |
O7 | O1.00 | O1.00 | O1.00 |
O8 | O1.00 | O1.00 | O1.00 |
O9 | O1.00 | O1.00 | O1.00 |
O10 | O1.00 | O1.00 | O1.00 |
H10 | H1.00 | H1.00 | H1.00 |
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