New Occurrence of Rusinovite, Ca10(Si2O7)3Cl2: Composition, Structure and Raman Data of Rusinovite from Shadil-Khokh Volcano, South Ossetia and Bellerberg Volcano, Germany
Abstract
:1. Introduction
2. The Occurrence and Paragenesis of Rusinovite
3. Materials and Methods
4. Results
4.1. Chemical Composition and Raman Spectroscopy of Rusinovite
4.2. Crystal Structure of Rusinovite
5. Discussion
6. Conclusions
Supplementary Materials
Author Contributions
Funding
Acknowledgments
Conflicts of Interest
References
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Crystal Data | |
---|---|
Chemical formula | Ca10(Si2O7)3Cl2 |
Crystal system | orthorhombic |
Space group | Cmcm (No. 63) |
Unit-cell dimensions | a = 3.76330(4) Å |
b = 16.9423(3) Å | |
c = 17.3325(2) Å | |
Unit cell volume | 1105.10(4) Å3 |
Formula weight | 976.2 |
Density (calculated) | 2.934 g/cm3 |
Z | 2 |
Crystal size | 28 × 18 × 15 µm |
Data collection | |
Diffractometer | beamline X06DA, Swiss Light Source single-axis Aerotech goniometer, PILATUS 2M-F detector |
Radiation wavelength | 0.72931 Å |
Detector to sample distance | 80 mm |
Oscillation range | 0.1° |
No. of frames measured | 1800 |
Time of exposure | 0.3 s |
Reflection ranges | −5 ≤ h ≤ 5; −25 ≤ k ≤ 23; −25 ≤ l ≤ 23 |
Reflection measured | 5015 |
Rint | 0.0274 |
Refinement of structure | full matrix least-squares on F |
No. of unique reflections | 1087 |
No. of observed unique refl. [I > 3s(I)] | 1032 |
Final R values [I > 3s(I)] | R = 0.021; wR = 0.035 |
Final R values (all data) | R = 0.022; wR = 0.036 |
S (all data) | 2.34 |
Refined parameters | 85 |
Weighting scheme | w = 1/(s2(F) + 0.0001F2) |
Δρmin [e Å−3] | −0.73 |
Δρmax [e Å−3] | 0.32 |
Component | Bellerberg Volcano | Shadil-Khokh Volcano | ||||||||
---|---|---|---|---|---|---|---|---|---|---|
Mean 18 | Mean 14 | |||||||||
wt % | S.D. | Range | Atom | pfu | wt % | S.D. | Range | Atom | pfu | |
SiO2 | 36.73 | 0.23 | 36.44–37.33 | Si | 6.00 | 36.89 | 0.23 | 36.12–36.93 | Si | 5.99 |
CaO | 56.70 | 0.35 | 56.24–57.11 | Ca | 9.93 | 57.25 | 0.35 | 56.79–58.00 | Ca | 9.95 |
FeO | 0.39 | 0.13 | 0.26–0.61 | Fe | 0.05 | 0.26 | 0.13 | 0.20–0.32 | Fe | 0.03 |
MgO | 0.06 | 0.03 | 0.00–0.09 | Mg | 0.02 | 0.09 | 0.03 | 0.08–0.11 | Mg | 0.02 |
Cl | 7.21 | 0.26 | 7.11–7.31 | Cl | 2.00 | 6.94 | 0.26 | 6.76–7.18 | Cl | 1.91 |
H2O * | 0.00 | 0.08 | OH | 0.08 | ||||||
–O=Cl | 1.63 | 1.57 | ||||||||
Total | 99.47 | 99.95 |
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Środek, D.; Juroszek, R.; Krüger, H.; Krüger, B.; Galuskina, I.; Gazeev, V. New Occurrence of Rusinovite, Ca10(Si2O7)3Cl2: Composition, Structure and Raman Data of Rusinovite from Shadil-Khokh Volcano, South Ossetia and Bellerberg Volcano, Germany. Minerals 2018, 8, 399. https://doi.org/10.3390/min8090399
Środek D, Juroszek R, Krüger H, Krüger B, Galuskina I, Gazeev V. New Occurrence of Rusinovite, Ca10(Si2O7)3Cl2: Composition, Structure and Raman Data of Rusinovite from Shadil-Khokh Volcano, South Ossetia and Bellerberg Volcano, Germany. Minerals. 2018; 8(9):399. https://doi.org/10.3390/min8090399
Chicago/Turabian StyleŚrodek, Dorota, Rafał Juroszek, Hannes Krüger, Biljana Krüger, Irina Galuskina, and Viktor Gazeev. 2018. "New Occurrence of Rusinovite, Ca10(Si2O7)3Cl2: Composition, Structure and Raman Data of Rusinovite from Shadil-Khokh Volcano, South Ossetia and Bellerberg Volcano, Germany" Minerals 8, no. 9: 399. https://doi.org/10.3390/min8090399