Cerromojonite, CuPbBiSe3, from El Dragόn (Bolivia): A New Member of the Bournonite Group
Abstract
:1. Introduction
2. Geology
3. Physical and Optical Properties
4. Chemical Data
5. X-ray Crystallography and Description of the Crystal Structure
6. Discussion
Supplementary Materials
Author Contributions
Funding
Acknowledgments
Conflicts of Interest
References
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λ (nm) | R1 (%) | R2 (%) | λ (nm) | R1 (%) | R2 (%) |
---|---|---|---|---|---|
400 | 47.0 | 48.0 | 560 | 48.1 | 51.9 |
420 | 47.2 | 48.6 | 580 | 47.9 | 52.0 |
440 | 47.5 | 49.3 | 600 | 47.7 | 52.1 |
460 | 47.8 | 50.0 | 620 | 47.5 | 52.1 |
480 | 48.1 | 50.6 | 640 | 47.3 | 52.0 |
500 | 48.3 | 51.1 | 660 | 47.1 | 51.9 |
520 | 48.3 | 51.5 | 680 | 46.9 | 51.7 |
540 | 48.3 | 51.7 | 700 | 46.8 | 51.6 |
Element | Mean | Range | e.s.d. |
---|---|---|---|
Cu (wt %) | 7.91 | 7.40–8.16 | 0.18 |
Ag | 2.35 | 2.16–2.54 | 0.11 |
Hg | 7.42 | 7.19–7.60 | 0.10 |
Pb | 16.39 | 16.15–16.77 | 0.13 |
Fe | 0.04 | 0.00–0.18 | 0.04 |
Ni | 0.02 | 0.00–0.18 | 0.04 |
Bi | 32.61 | 32.19–32.91 | 0.20 |
Se | 33.37 | 32.93–33.81 | 0.24 |
Total | 100.11 | 99.24–100.79 | 0.42 |
Element | d.l. (ppm) | 1 | 2 | 3 | 4 | 5 | 6 |
---|---|---|---|---|---|---|---|
Cu (wt %) | 250 | 7.40 | 7.75 | 8.09 | 8.03 | 7.91 | 7.91 |
Ag | 200 | 2.45 | 2.54 | 2.30 | 2.33 | 2.54 | 2.27 |
Hg | 1100 | 7.48 | 7.46 | 7.37 | 7.38 | 7.32 | 7.33 |
Pb | 400 | 16.29 | 16.31 | 16.50 | 16.46 | 16.34 | 16.36 |
Fe | 150 | b.d.l. | 0.14 | b.d.l. | b.d.l. | b.d.l. | b.d.l. |
Ni | 200 | b.d.l. | 0.04 | b.d.l. | b.d.l. | 0.11 | 0.03 |
Bi | 300 | 32.74 | 32.76 | 32.78 | 32.80 | 32.42 | 32.51 |
Se | 800 | 33.48 | 33.27 | 33.58 | 33.31 | 33.07 | 33.56 |
Total | 99.86 | 100.28 | 100.64 | 100.22 | 99.74 | 99.98 | |
Cu (a.p.f.u.) | 0.84 | 0.87 | 0.90 | 0.90 | 0.89 | 0.89 | |
Ag | 0.16 | 0.17 | 0.15 | 0.15 | 0.17 | 0.15 | |
Hg | 0.27 | 0.26 | 0.26 | 0.26 | 0.26 | 0.26 | |
Pb | 0.56 | 0.56 | 0.56 | 0.57 | 0.56 | 0.56 | |
Fe | - | 0.02 | - | - | - | - | |
Ni | - | - | - | - | 0.01 | - | |
Bi | 1.12 | 1.12 | 1.11 | 1.12 | 1.11 | 1.11 | |
Se | 3.04 | 3.00 | 3.01 | 3.01 | 2.99 | 3.03 |
hkl | dmeas | Imeas | dcalc | Icalc |
---|---|---|---|---|
020 | - | - | 4.3705 | 4 |
- | 4.08 | 10 | 4.1010 | 9 |
002 | 4.00 | 20 | 4.0145 | 15 |
120 | 3.86 | 25 | 3.8571 | 20 |
210 | 3.70 | 10 | 3.7127 | 9 |
112 | 3.32 | 10 | 3.3333 | 9 |
220 | 2.991 | 10 | 2.9906 | 10 |
022 | - | - | 2.9565 | 6 |
202 | - | - | 2.8688 | 7 |
122 | 2.783 | 100 | 2.7814 | 100 |
130 | 2.747 | 10 | 2.7456 | 12 |
212 | 2.727 | 55 | 2.7257 | 50 |
310 | 2.608 | 40 | 2.6093 | 37 |
222 | - | - | 2.3983 | 5 |
320 | - | - | 2.3178 | 3 |
132 | - | - | 2.2663 | 9 |
312 | - | - | 2.1878 | 5 |
040 | 2.186 | 10 | 2.1853 | 14 |
004 | 1.999 | 25 | 2.0073 | 21 |
330 | 1.992 | 20 | 1.9937 | 21 |
042 | - | - | 1.9193 | 4 |
142 | 1.867 | 10 | 1.8688 | 12 |
412 | 1.788 | 20 | 1.7875 | 22 |
332 | - | - | 1.7856 | 6 |
124 | - | - | 1.7806 | 4 |
242 | - | - | 1.7384 | 6 |
422 | - | - | 1.6849 | 3 |
224 | - | - | 1.6666 | 3 |
134 | - | - | 1.6204 | 4 |
314 | 1.592 | 20 | 1.5910 | 14 |
252 | 1.494 | 10 | 1.4928 | 10 |
044 | - | - | 1.4783 | 7 |
522 | - | - | 1.4344 | 4 |
530 | - | - | 1.4294 | 4 |
334 | 1.415 | 10 | 1.4145 | 12 |
260 | - | - | 1.3728 | 4 |
600 | - | - | 1.3670 | 4 |
126 | - | - | 1.2642 | 6 |
452 | - | - | 1.2628 | 8 |
216 | - | - | 1.2589 | 3 |
534 | - | - | 1.1644 | 3 |
264 | - | - | 1.1331 | 4 |
604 | - | - | 1.1299 | 4 |
416 | - | - | 1.1115 | 3 |
722 | - | - | 1.0893 | 5 |
182 | - | - | 1.0457 | 3 |
456 | - | - | 0.9434 | 3 |
Crystal Data | |
Ideal formula | CuPbBiSe3 |
Crystal size (mm3) | 0.040 × 0.055 × 0.060 |
Form | Block |
Color | Black |
Crystal system | Orthorhombic |
Space group | Pn21m |
a (Å) | 8.202(1) |
b (Å) | 8.741(1) |
c (Å) | 8.029(1) |
V (Å3) | 575.7(1) |
Z | 4 |
Data Collection | |
Instrument | Oxford Diffraction Xcalibur 3 |
Radiation type | MoKα (λ = 0.71073 Å) |
Temperature (K) | 293(3) |
Detector to sample distance (cm) | 6 |
Number of frames | 889 |
Measuring time (s) | 50 |
Maximum covered 2θ (°) | 59.30 |
Absorption correction | multi-scan [12] |
Collected reflections | 3504 |
Unique reflections | 1359 |
Reflections with Fo > 4σ(Fo) | 701 |
Rint | 0.0356 |
Rσ | 0.0412 |
Range of h, k, l | 0 ≤ h ≤ 11, −12 ≤ k ≤ 8, 0 ≤ l ≤ 10 |
Refinement | Full-matrix least squares on F2 |
Final R1 [Fo > 4σ(Fo)] | 0.0256 |
Final R1 (all data) | 0.0315 |
S | 1.09 |
Number refined parameters | 68 |
Δρmax (e Å−3) | 1.81 |
Δρmin (e Å−3) | −2.06 |
Atom | s.o.f. | x | y | z | Ueq |
---|---|---|---|---|---|
Pb1 | Pb0.80(2)Ag0.20 | 0.07291(13) | 0.9709(3) | 0 | 0.0108(5) |
Pb2 | Pb0.74(2)Ag0.26 | 0.56972(12) | 0.1758(3) | ½ | 0.0115(5) |
Bi1 | Bi1.00 | 0.07446(12) | 0.9807(2) | ½ | 0.0118(4) |
Bi2 | Bi1.00 | 0.55647(12) | 0.1819(2) | 0 | 0.0134(4) |
Cu | Cu0.870(8)Hg0.130 | 0.27526(17) | 0.42151(15) | 0.2439(3) | 0.0120(6) |
Se1 | Se1.00 | 0.2450(3) | 0.2494(4) | 0 | 0.0103(6) |
Se2 | Se1.00 | 0.2316(3) | 0.2595(4) | ½ | 0.0105(6) |
Se3 | Se1.00 | 0.08564(19) | 0.65945(19) | 0.2374(4) | 0.0102(4) |
Se4 | Se1.00 | 0.57919(18) | 0.4826(2) | 0.2675(4) | 0.0096(4) |
Atom | U11 | U22 | U33 | U12 | U13 | U23 |
---|---|---|---|---|---|---|
Pb1 | 0.0116(7) | 0.0118(11) | 0.0089(7) | 0.0005(5) | 0.000 | 0.000 |
Pb2 | 0.0102(8) | 0.0135(10) | 0.0107(8) | −0.0008(7) | 0.000 | 0.000 |
Bi1 | 0.0123(6) | 0.0122(10) | 0.0110(7) | −0.0001(4) | 0.000 | 0.000 |
Bi2 | 0.0149(6) | 0.0136(8) | 0.0118(6) | −0.0001(6) | 0.000 | 0.000 |
Cu | 0.0131(8) | 0.0125(7) | 0.0104(9) | 0.0007(4) | 0.0007(7) | −0.0003(10) |
Se1 | 0.0108(11) | 0.0119(16) | 0.0081(12) | −0.0007(10) | 0.000 | 0.000 |
Se2 | 0.0114(10) | 0.0111(15) | 0.0089(12) | 0.0001(10) | 0.000 | 0.000 |
Se3 | 0.0101(7) | 0.0108(7) | 0.0096(11) | −0.0004(6) | 0.0000(7) | 0.0036(13) |
Se4 | 0.0111(7) | 0.0108(7) | 0.0070(12) | −0.0002(7) | −0.0009(6) | −0.0004(12) |
Pb1-Se1 | 2.814(4) | Bi2-Se1 | 2.622(3) |
Pb1-Se3 (×2) | 2.975(3) | Bi2-Se4 (×2) | 2.785(3) |
Pb1-Se2 | 3.107(3) | Bi2-Se4 (×2) | 3.395(3) |
Pb1-Se3 (×2) | 3.334(3) | Bi2-Se3 (×2) | 3.620(3) |
Pb1-Se4 (×2) | 3.408(3) | BVS | 3.22 |
BVS | 1.93 | ||
Cu-Se1 | 2.482(3) | ||
Pb2-Se2 | 2.868(3) | Cu-Se2 | 2.522(3) |
Pb2-Se4 (×2) | 2.993(3) | Cu-Se4 | 2.557(2) |
Pb2-Se4 (×2) | 3.268(3) | Cu-Se3 | 2.598(2) |
Pb2-Se3 (×2) | 3.412(3) | BVS | 1.29 |
BVS | 1.62 | ||
Bi1-Se2 | 2.757(4) | ||
Bi1-Se3 (×2) | 2.793(3) | ||
Bi1-Se1 | 3.314(3) | ||
Bi1-Se3 (×2) | 3.519(3) | ||
Bi1-Se4 (×2) | 3.563(3) | ||
BVS | 2.96 |
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Förster, H.-J.; Bindi, L.; Grundmann, G.; Stanley, C.J. Cerromojonite, CuPbBiSe3, from El Dragόn (Bolivia): A New Member of the Bournonite Group. Minerals 2018, 8, 420. https://doi.org/10.3390/min8100420
Förster H-J, Bindi L, Grundmann G, Stanley CJ. Cerromojonite, CuPbBiSe3, from El Dragόn (Bolivia): A New Member of the Bournonite Group. Minerals. 2018; 8(10):420. https://doi.org/10.3390/min8100420
Chicago/Turabian StyleFörster, Hans-Jürgen, Luca Bindi, Günter Grundmann, and Chris J. Stanley. 2018. "Cerromojonite, CuPbBiSe3, from El Dragόn (Bolivia): A New Member of the Bournonite Group" Minerals 8, no. 10: 420. https://doi.org/10.3390/min8100420
APA StyleFörster, H. -J., Bindi, L., Grundmann, G., & Stanley, C. J. (2018). Cerromojonite, CuPbBiSe3, from El Dragόn (Bolivia): A New Member of the Bournonite Group. Minerals, 8(10), 420. https://doi.org/10.3390/min8100420