THE ATOMIC STRUCTURE OF (H3O)Fe3+(SO4)2 AND RHOMBOCLASE, (H5O2)Fe3+(SO4)2{middle dot}2H2O
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Bibliographic record
Abstract
The atomic structure of (H 3 O)Fe 3+ (SO 4 ) 2, an important phase in the system Fe–S–O–H, has been determined by the analysis of single-crystal X-ray-diffraction data. Within the unit cell of (H 3 O)Fe(SO 4 ) 2 , there are three layers consisting of Fe(SO 4 ) 2 sheets parallel to (001) composed of FeO 6 octahedra and SO 4 tetrahedra sharing corners. The structure of (H 3 O)Fe 3+ (SO 4 ) 2 is very similar to that of (H 3 O)Al(SO 4 ) 2 except that it is distorted from the R 3 arrangement of (H 3 O)Al(SO 4 ) 2 to P 1 symmetry. The phase (H 3 O)Fe 3+ (SO 4 ) 2 has a layer spacing of 7.90 A, which is slightly larger than the spacing for (H 3 O)Al(SO 4 ) 2 (7.75 A). This increase is a direct result of the mean Fe 3+ –O bond length (1.976 A) being longer than the mean Al–O bond length (1.879 A). The longer Fe 3+ –O bond length also causes the array of oxygen atoms formed by the apices of the sulfate groups that bond to the hydronium groups to be farther apart. The adjustment of the hydrogen bonding to this change results in the lower symmetry. The crystal structure of rhomboclase, (H 5 O 2 )Fe 3+ (SO 4 ) 2 ·2H 2 O, has been refined, and the hydrogen positions have been determined for the first time. The model describing the disorder of the H 5 O 2 molecule is confirmed.
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Full frame distilled prediction
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 | 0.001 | 0.001 |
| Scholarly communication | 0.000 | 0.000 |
| Open science | 0.001 | 0.000 |
| Research integrity | 0.000 | 0.000 |
| Insufficient payload (model declined to judge) | 0.000 | 0.000 |
Machine scores (provisional)
The two teacher heads of the student model, read on this work. A score orders the frame for review; it never asserts a category, and the validation status ships verbatim with every row.
Baseline scores from an immature model (maturity gate not passed, 7 training rounds). Scores rank; they never assert a category.
score_only:v0-immature-baseline · verbatim from the scoring run: score_only means the number may rank works, and no category label ships from it