Structural investigations on bredigite from the Hatrurim Complex

Bredigite, Сa 7 Mg(SiO 4 ) 4 , is an indicator mineral of metasomatic rocks of the sanidinite facies formed at high temperatures (>800 °C) and low pressures (<1–2 kbar). Bredigite samples from ternesite-gazeevite-larnite pyrometamorphic rocks of the Hatrurim Complex (Negev Desert, Israel) have been studied by electron probe micro analysis and single-crystal diffraction using synchrotron radiation. They are characterized by a relatively uniform composition. The empirical formula calculated on the basis of 16 O atoms per formula unit is: (Ca 7.006 Na 0.015 Ba 0.014 ) Σ7.035 Mg 0.938 (Si 4.000 P 0.014 ) Σ4.014 O 16 . Basic crystallographic data of a sample studied by X-ray diffraction are as follows: orthorhombic symmetry, space group Pnnm , a = 18.38102(17) Å, b = 6.74936(7) Å, c = 10.90328(11) Å, V = 1352.66(2) Å 3 , Z = 4. Structure solution and subsequent least-squares refinements resulted in a residual of R(|F|) = 0.023 for 2584 independent observed reflections with I > 2σ(I) and 149 parameters. To the best of our knowledge this is the first detailed structural investigation on natural bredigite. In contrast to previous studies on samples retrieved from metallurgical slags there was no need to describe the structure in the acentric space group Pnn 2. Furthermore, the problem of Ba incorporation into the bredigite structure is discussed. Data on the composition of Ba-bearing bredigites from pyrometamorphic rocks of the Hatrurim Complex from Jordan with simplified formula Ba 0.7 Ca 13.3 Mg 2 (SiO 4 ) 8 (based on 32 oxygen atoms) are provided for the first time, pointing out perspectives of finding new Ba-bearing minerals isostructural with bredigite in nature.