In-situ high pressure single crystal X-ray diffraction study reveals that the quantum material CaMn2Bi2 undergoes a unique plane to chain structural transition between 2 and 3 GPa, accompanied by a large volume collapse. CaMn2Bi2 displays a new structure type above 2.3 GPa, with the puckered Mn honeycomb lattice of the trigonal ambient-pressure structure converting to one-dimensional (1D) zigzag chains in the high-pressure monoclinic structure. Single crystal measurements reveal that the pressure-induced structural transformation is accompanied by a dramatic two order of magnitude drop of resistivity; although the ambient pressure phase displays semiconducting behavior at low temperatures, metallic temperature dependent resistivity is observed for the high pressure phase, as, surprisingly, are two resistivity anomalies with opposite pressure dependences. Based on the electronic structure calculations, we hypothesized that the newly emerged electronic state under high pressure is associated with a Fermi surface instability of the quasi-1D Mn chains, while we infer that the other is a magnetic transition. Assessment of the total energies for hypothetical magnetic structures for high pressure CaMn2Bi2 indicates that ferrimagnetism is thermodynamically favored.
High-pressure diamond-anvil cell synchrotron X-ray diffraction experiments were conducted on single-crystal samples of natural orthoamphibole; gedrite; with composition; (K0.002Na0.394)(Mg2)(Mg1.637Fe2.245Mn0.004Ca0.022Cr0.003Na0.037Al1.052)(Si6.517Al1.483)O22(OH)2. The samples were compressed at 298 K up to a maximum pressure of 27(1) GPa. In this pressure regime, we observed a displacive phase transition between 15.1(7) and 21(1) GPa from the orthorhombic Pnma phase to a new structure with space group P21/m; which is different from the familiar P21/m structure of cummingtonite and retains the (+, +, −, −) I-beam stacking sequence of the orthorhombic structure. The unit cell parameters for the new phase at 21(1) GPa are a = 17.514(3), b = 17.077(1), c = 4.9907(2) Å and β = 92.882(6)°. The high-pressure P21/m phase is the first amphibole structure to show the existence of four crystallographically distinct silicate double chains. The orthorhombic to monoclinic phase transition is characterized by an increase in the degree of kinking of the double silicate chains and is analogous to displacive phase changes recently reported in orthopyroxenes, highlighting the parallel structural relations and phase transformation behavior of orthorhombic single- and double-chain silicates.
A new mineral species, ferrobobfergusonite, ideally □Na2Fe2+5Fe3+Al(PO4)6, has been found in the Victory Mine, Custer County, South Dakota, USA. It is massive and associated with ferrowyllieite, schorl, fillowite, arrojadite, quartz, and muscovite. Broken pieces of ferrobobfergusonite are blocky or tabular with single crystals up to 0.9 × 0.7 × 0.4 mm. No twinning or parting is observed macroscopically. The mineral is deep green-brown and transparent with a pale green-yellow streak and vitreous luster. It is brittle and has a Mohs hardness of ∼5, with perfect cleavage on {010}. The measured and calculated densities are 3.68(1) and 3.69 g/cm3, respectively. Optically, ferrobobfergusonite is biaxial (+), with α = 1.698 (2), β = 1.705 (2), γ = 1.727 (2) (white light), 2V (meas.) = 65(2)°, 2V (calc.) = 60°, with orientation of the optic axes α ∧ X = 16°, β = Y, with X = yellowish brown, Y = brown, and Z = deep brown. The dispersion is very strong with r > v. The calculated compatibility index based on the empirical formula is 0.017 (superior). An electron microprobe analysis yielded an empirical formula (based on 24 O apfu) of (Na1.72□1.28)Σ3.00(Fe2+3.50Mn0.89Mg0.44Ca0.13)Σ4.96(Fe3+0.77Al0.23)Σ1.00Al(PO4)6. Ferrobobfergusonite is isostructural with bobfergusonite, a member of the alluaudite supergroup. It is monoclinic, with space group P21/n and unit-cell parameters a = 12.7156(3), b = 12.3808(3), c = 10.9347(3) Å, β = 97.3320(10)°, and V = 1707.37(7) Å3. The crystal structure of ferrobobfergusonite contains six octahedral M (= Fe2+, Mg, Mn2+, Al, Fe3+) sites and five X (= Na, Mn2+, Ca) sites with coordination numbers between 6 and 8. The six MO6 octahedra share edges to form two types of kinked chains extending along [101], with one consisting of M1–M4–M5 linkages and the other of M2–M3–M6 linkages. These chains are joined by PO4 tetrahedra to form sheets parallel to (010), which are linked together through corner-sharing between PO4 tetrahedra and MO6 octahedra in the adjacent sheets, leaving open channels parallel to a, where the large X cations are situated. The M cations are strongly ordered over the six sites, with M1, M2, M3, and M4 being dominantly occupied by Fe2+, and M5 and M6 by Fe3+ and Al, respectively. Among the five X sites, the X1 site is filled with Mn2+ and Ca, whereas the X2–X5 sites are partially occupied by Na.
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