{ "id": "fnd:srprniruo6.p21n.300k.iturbe2012.geometry", "changelog": [ { "timestamp": "2026-09-30T05:59:03+00:00", "user": "perovskite-atlas/fer_export.py", "description": "Geometry. 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true, true ], "reported_as": [ "2.45(1)", "2.69(1)", "2.76(1)", "3.25(1)", "2.47(1)", "2.71(1)", "2.73(1)", "3.23(1)", "2.44(1)", "2.58(1)", "3.01(1)", "3.12(1)", "2.015(7)", "2.013(7)", "2.022(6)", "1.990(7)", "1.972(7)", "1.960(6)" ] } }, { "id": "fnd:srprniruo6.p21n.300k.iturbe2012.geometry#angles", "name": "Bond angles", "description": "", "quantities": [ "O1-M-O2", "O1-M-O3", "O2-M-O3", "mean O-M-O", "O1-Ru-O2", "O1-Ru-O3", "O2-Ru-O3", "mean O-Ru-O", "M-O1-Ru", "M-02-Ru", "M-03-Ru", "mean M-O-Ru" ], "symbols": [ "$\\angle(O1-M-O2)$", "$\\angle(O1-M-O3)$", "$\\angle(O2-M-O3)$", "$\\angle(mean O-M-O)$", "$\\angle(O1-Ru-O2)$", "$\\angle(O1-Ru-O3)$", "$\\angle(O2-Ru-O3)$", "$\\angle(mean O-Ru-O)$", "$\\angle(M-O1-Ru)$", "$\\angle(M-02-Ru)$", "$\\angle(M-03-Ru)$", "$\\angle(mean M-O-Ru)$" ], "units": [ "°", "°", "°", "°", "°", "°", "°", "°", "°", "°", "°", "°" ], "values": [ [ 89.9 ], [ 89.4 ], [ 90.6 ], [ 90.0 ], [ 92.3 ], [ 88.9 ], [ 89.4 ], [ 90.2 ], [ 156.3 ], [ 159.3 ], [ 158.8 ], 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occupancy 0.5/0.5 (Sr/Pr)", "quantities": [ "x", "y", "z", "B_iso" ], "symbols": [ "$x$", "$y$", "$z$", "$B_{\\mathrm{iso}}$" ], "units": [ "1", "1", "1", "Å^2" ], "values": [ [ -0.003 ], [ 0.4728 ], [ 0.754 ], [ 0.63 ] ], "standard_uncertainties": [ [ 0.001 ], [ 0.0005 ], [ 0.002 ], [ 0.04 ] ], "atlas": { "uncertainty_reported": [ true, true, true, true ], "reported_as": [ "-0.003(1)", "0.4728(5)", "0.754(2)", "0.63(4)" ] } }, { "id": "str:srprniruo6.p21n.300k.iturbe2012#atom:O1", "name": "Atom O1 (O, Wyckoff 4e)", "description": "Fractional coordinates and isotropic displacement; occupancy 1", "quantities": [ "x", "y", "z", "B_iso" ], "symbols": [ "$x$", "$y$", "$z$", "$B_{\\mathrm{iso}}$" ], "units": [ "1", "1", "1", "Å^2" ], "values": [ [ -0.285 ], [ 0.212 ], [ -0.0374 ], [ 0.69 ] ], "standard_uncertainties": [ [ 0.001 ], [ 0.001 ], [ 0.0008 ], [ 0.02 ] ], "atlas": { "uncertainty_reported": [ true, true, true, true ], "reported_as": [ "-0.285(1)", "0.212(1)", "-0.0374(8)", "0.69(2)" ] } }, { "id": "str:srprniruo6.p21n.300k.iturbe2012#atom:O2", "name": "Atom O2 (O, Wyckoff 4e)", "description": "Fractional coordinates and isotropic displacement; 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