Satterlyite, (Fe,Mg)12(PO3OH)(PO4)5(OH,O)6: crystal structure and infrared absorption spectra
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Bibliographic record
Abstract
The crystal structure of satterlyite from the Big Fish River area, Yukon Territory, Canada, (Fe 0.77 Mg 0.23 ) 12 (PO 3 OH)(PO 4 ) 5 (OH,O) 6 (space group P 31 m , a = 11.355(1), c = 5.0394(5) A, V = 562.71(9) A 3 , Z = 1), has been solved and refined using single-crystal intensity data (Mo K α X-radiation, CCD area detector, 2320 unique reflections with F 0 > 4σ( F 0 ), Rl = 2.15 %). The structure is based upon pairs of face-sharing, distorted (Fe,Mg)O 6 octahedra linked by edge-sharing to form double chains along [001]. Each double chain shares ligands with six other double chains to produce a three-dimensional network hosting three unique PO 4 tetrahedra which are corner-linked to the (Fe,Mg)O 6 octahedra. The two unique (Fe,Mg)O 6 octahedra are characterised by different occupancies; Fe:Mg ratios of the M (1) and M (2) sites are 0.838(2):0.162(2) and 0.706(2):0.294(2), respectively. Two H atoms are each bonded to common ligands of the two (Fe,Mg)O 6 octahedra. The third, strongly disordered H(3) atom is bonded to the apical O of the P(l)O 4 tetrahedron. The H(3) site and possibly both the other two H sites are only partially occupied, and only very weak hydrogen bonds exist. Satterlyite is isostructural with holtedahlite, Mg 12 (PO 3 OH,CO 3 )(PO 4 ) 5 (OH,O) 6 . Unlike in natural holtedahlite, there is no carbonate-for-phosphate substitution in the satterlyite investigated, which was also confirmed by IR absorption powder spectra. A structural relationship exists with phosphoellenbergerite, Mg 14 (PO 4 ) 6 (PO 3 OH) 2 (OH) 6 . Polarised IR spectra of oriented cut single crystals in the O-H stretching vibrational range revealed an asymmetric band at 3536 cm -1 (including a weak shoulder at ∼ 3568 cm -1 ) and an asymmetric band at ∼ 3471 cm -1 . The number of hydroxyl vibrational bands and their positions are in accordance with the results of the structure refinement.
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Teacher imitationNot calibrated prevalence, not ground truth. Human validation pending. Learned from the 10,348 direct Codex labels and 10,348 direct Gemma labels. Candidate is the union of thresholded teacher heads; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels or direct frontier model labels.
Codex and Gemma teacher scores by category
| Category | Codex | Gemma |
|---|---|---|
| Metaresearch | 0.000 | 0.000 |
| Meta-epidemiology (narrow) | 0.000 | 0.000 |
| Meta-epidemiology (broad) | 0.000 | 0.000 |
| Bibliometrics | 0.000 | 0.000 |
| Science and technology studies | 0.000 | 0.000 |
| Scholarly communication | 0.000 | 0.000 |
| Open science | 0.000 | 0.000 |
| Research integrity | 0.000 | 0.000 |
| Insufficient payload (model declined to judge) | 0.004 | 0.000 |
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