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Crystal structure refinements of magnesite, calcite, rhodochrosite, siderite, smithonite, and dolomite, with discussion of some aspects of the stereochemistry of calcite type carbonates
Abstract
The crystal structures of magnesite, calcite, rhodochrosite, siderite, smithonite and dolomite were refined by standard single crystal X-ray methods using diffraction data up to sin[unk]/λ = 1.0 Å−1. The C – O bond lengths are essentially the same. Attention is drawn to short O – O contacts (2.85 Å in both magnesite and smithonite) outside the coordination figures. The MeO 6 octahedra are always elongated parallel [00.1]; the distortion is not a monotone function of the Me – O distance. The approximation of four point charges for the [CO 3]2− ion for calcite gives good agreement between observation and classical electrostatic calculation when charges of 1 + for carbon and 1 − for oxygen are used.
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Cited by
Gaffey, S. J. (1987) · Journal of Geophysical Research: Solid Earth · doi:10.1029/jb092ib02p01429 · Cited by 323
Tosca, N. J., Guggenheim, S., & Pufahl, P. K. (2016) · Geological Society of America Bulletin · doi:10.1130/b31339.1 · Cited by 241
Testing the cation-hydration effect on the crystallization of Ca–Mg–CO 3 systems
Xu, J., Yan, C., Zhang, F., Konishi, H., Xu, H., & Teng, H. H. (2013) · Proceedings of the National Academy of Sciences · doi:10.1073/pnas.1307612110 · Cited by 181
Thermal infrared emission spectroscopy of anhydrous carbonates
Lane, M. D., & Christensen, P. R. (1997) · Journal of Geophysical Research: Planets · doi:10.1029/97je02046 · Cited by 138
Carbon Mineralogy and Crystal Chemistry
Hazen, R. M., Downs, R. T., Jones, A. P., & Kah, L. (2013) · Reviews in Mineralogy and Geochemistry · doi:10.2138/rmg.2013.75.2 · Cited by 114
Metadata
- Venue
- Zeitschrift für Kristallographie - Crystalline Materials
- Publisher
- Walter de Gruyter GmbH
- Published
- 1981-02-01
- Volume
- 156
- Issue
- 3-4
- Pages
- 233-243
- ISSN
- 2194-4946 (ISSN-L)
- 2196-7105
- OpenAlex
- W2068000204
- Cited by
- 338
- References
- 0
- FWCI
- 3.13
- Type
- journal article
- Language
- en
- Open access
- closed
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- Crystal structure refinements of magnesite, calcite, rhodochrosite, siderite, smithonite, and dolomite, with discussion of some aspects of the stereochemistry of calcite type carbonates. (1981). Zeitschrift für Kristallographie - Crystalline Materials. https://doi.org/10.1524/zkri.1981.156.3-4.233
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