The crystal structure of manganese difluoride (MnF2): Reliability test of hypothetical intensity variances by means of χ2 distributions
Abstract
Integrated X-ray intensities for MnF2 have been gathered for all reflections up till sin ϑ/λ = 1.0 Å−1. AgKα radiation was used monochromated by a graphite monochromator. The distribution of χ2 = (n – 1) s2/σ2, σ2 = υσP2, taken over 234 twice (n = 2) repeatedly measured intensities agreed best with the theoretical χ2 distribution, if all Poisson variances σP2 were multiplied by υ = 1.013. The agreement between symmetry equivalent intensities was checked by means of a χ2-test and intensities having a χ2 larger than expected from statistics were rejected. Weighted least-squares refinement with anisotropic temperature factors yielded the goodness-of-fit parameter 1.7(1.06) and the agreement factors Rw = 0.007(0.01) and R = 0.019(0.02), numbers in brackets were obtained if all reflections with sin ϑ/λ < 0.7 were omitted. The attempt to refine cumulant tensors of rank 3 and 4 has not shown any significant deviation from harmonic motion for both atoms Mn and F. With the lattice constants a = 4.8734 and c = 3.3099 Å the fluorine position parameter was determined to x = 0.3050.
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- Tautoeikonic sets in some p, q cyclotomies
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- Beiträge zur Strukturchemie phosphorhaltiger Ketten und Ringe
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Articles in the same Issue
- Kristallographische Untersuchungen eines Petalits mittels Neutronenbeugung und Transmissionselektronenmikroskopie
- The crystal structure of manganese difluoride (MnF2): Reliability test of hypothetical intensity variances by means of χ2 distributions
- Site occupancy refinement of osumilite
- X-ray charge density study of rutile (TiO2)
- Tautoeikonic sets in some p, q cyclotomies
- Crystal structure of ferroelectric tetramethyl ammonium trichloromercurate
- Crystal structure of lead acetate trihydrate
- Molecular and crystal structure of C.I. Pigment Red 208, 12514, n-Butyl-2-{2-oxo-3-[N-(2-oxo-2,3-dihydro-5-benzimidazolyl)-carbamoyl]-naphthylidenhydrazino}-benzoat (PV-Rot HF2B)
- A random reflexion search method in four-circle diffractometry
- Crystal structure of N3P3Cl4[HN(CH2)3NH] at 133 K: a spiro cyclic cyclotriphosphazene
- Crystal structure of phenyl-α-d-glucopyranoside1
- Crystal structure of phenyl-β-d-glucopyranoside dihydrate1
- A neutron diffraction study of Cr3(11B0.44C0.56)C0.85 and Cr3C(C0.52N0.48)*
- Beiträge zur Strukturchemie phosphorhaltiger Ketten und Ringe
- The transition of orthoenstatite to protoenstatite and the structure at 1080°C
- Crystal structure of the synthetic zeolite N, NaAlSiO4 · 1.35 H2O
