The crystal structure of kraisslite, <sup>[4]</sup>Zn<sub>3</sub>(Mn, Mg)<sub>25</sub>(Fe<sup>3+</sup>,Al)(As<sup>3+</sup>O<sub>3</sub>)<sub>2</sub>[(Si,As<sup>5+</sup>)O<sub>4</sub>]<sub>10</sub>(OH)<sub>16</sub>, from the Sterling Hill mine, Ogdensburg, Sussex County, New Jersey, USA
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Bibliographic record
Abstract
Abstract The crystal structure of kraisslite, orthorhombic (pseudo-hexagonal), a = 8.1821(1), b = 14.1946(3), c = 43.9103(8) Å, V = 5099.8(2) Å 3 , Z = 4 and d calc = 4.083 g cm –3 , has been solved by direct methods and refined in the space group C 222 1 to an R 1 index of 1.68% for 7432 observed (| F o | > 4σ| F |) reflections. Electron-microprobe analysis gave the following chemical composition: As 2 O 5 10.86, As 2 O 3 6.18, SiO 2 13.39, Al 2 O 3 0.25, Fe 2 O 3 2.06, MnO 51.14, ZnO 7.39, MgO 2.13, CaO 0.05, H 2 O calc = 4.50, sum 97.95 wt.%; and empirical formula: Zn 2.91 (Mn 23.07 Mg 1.69 Ca 0.03 ) Σ=24.79 (Fe 0.83 3+ Al 0.16 ) Σ=0.99 (As 3+ O 3 ) 2 [(Si 0.71 As 0.30 5+ )O 4 ] 10 (OH) 16 calculated on the basis of 62 anions with (OH) = 16 and As 3+ /(As 3+ + As 5+ ) taken from the refined crystal structure. The general formula, [4]Zn3(Mn,Mg)25(Fe 3+ ,Al)(As 3+ O 3 ) 2 [(Si,As 5+ )O 4 ] 10 (OH) 16 , differs from those given previously. There is one As 3+ site with a <As–O> distance of 1.780 Å and a stereochemistry typical of a stereoactive lone-pair of electrons. There are five tetrahedrally coordinated T sites with <T–O> distances from 1.635 to 1.692 Å; the T(1) site is fully occupied by As 5+ , and the T(2)–T(5) sites are occupied by both Si and As 5+ . There are two tetrahedrally coordinated Zn sites with <T–O> distances of ∼1.996 Å, both of which are occupied by dominant Zn and minor Mn 2+ . There are thirteen octahedrally coordinated M sites, twelve of which are occupied by dominant Mn 2+ with lesser Mg and minor Zn; <M–O> distances are in the range 2.197–2.284 Å. The <M(13)–O> distance is 2.083 Å and its lower site scattering indicates occupancy by Fe 3+ , Mn 2+ , Mg and Al. The structure consists of five crystallographically distinct layers of polyhedra, labelled m = 0 – 4. Layer m = 0 consists of corner-sharing Zn and (Si, As 5+ ) tetrahedra, and layers m = 1–4 each consist of trimers of Mn 2+ octahedra linked by (Si, As5+) tetrahedra and intrasheet hydrogen bonds (m = 1, 3) or (Si, As 5+ ) tetrahedra and (Fe 3+ ,Al) octahedra (m = 2) or (As 5+ ) tetrahedra and (As 3+ O3) triangular pyramids and intrasheet hydrogen bonds (m = 4). The layers stack along [001] with reversals of the sequence m = 1, 2, 3, 4 at z = 0, ¼, ½ and ¾. Kraisslite is a member of the mcgovernite family.
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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 | 0.007 | 0.005 |
| Meta-epidemiology (narrow) | 0.010 | 0.007 |
| Meta-epidemiology (broad) | 0.009 | 0.005 |
| Bibliometrics | 0.002 | 0.006 |
| Science and technology studies | 0.006 | 0.007 |
| Scholarly communication | 0.005 | 0.005 |
| Open science | 0.010 | 0.006 |
| Research integrity | 0.006 | 0.008 |
| Insufficient payload (model declined to judge) | 0.002 | 0.004 |
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