rexafs 0.2.14

Rust-powered X-ray absorption spectroscopy analysis and EXAFS fitting
Documentation
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%%�;tablecif_elementscif_elementsCREATE TABLE cif_elements (
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CREATE TABLE cif (
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        atoms_occupancy text,
        atoms_u_iso text,
        atoms_aniso_label text,
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        atoms_aniso_u22 text,
        atoms_aniso_u33 text,
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        atoms_aniso_u13 text,
        atoms_aniso_u23 text,
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%%�StablepublicationspublicationsCREATE TABLE publications (
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mm�!7�Kinit, trim2021-May-16T:19:00:00trimmed version has removed many large and near-duplicate structures, full version is available
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��#���s!�P 42/m n m["x,y,z", "-y,-x,z", "y,x,-z", "1/2+y,1/2-x,1/2-z", "1/2-y,1/2+x,1/2+z", "1/2+x,1/2-y,1/2+z", "1/2-x,1/2+y,1/2-z", "x,y,-z", "-x,-y,z", "y,x,z", "-y,-x,-z", "1/2-y,1/2+x,1/2-z", "1/2+y,1/2-x,1/2+z", "1/2-x,1/2+y,1/2+z", "1/2+x,1/2-y,1/2-z", "-x,-y,-z"]�VB!�P 63/m m c["x,y,z", "-x,-x+y,1/2+z", "x,x-y,1/2-z", "-x+y,-x,1/2-z", "x-y,x,1/2+z", "-y,-x,z", "y,x,-z", "y,-x+y,-z", "-y,x-y,z", "x-y,-y,1/2+z", "-x+y,y,1/2-z", "x,y,1/2-z", "-x,-y,1/2+z", "x,x-y,z", "-x,-x+y,-z", "x-y,x,-z", "-x+y,-x,z", "y,x,1/2+z", "-y,-x,1/2-z", "-y,x-y,1/2-z", "y,-x+y,1/2+z", "-x+y,y,z", "x-y,-y,-z", "-x,-y,-z"]�5�P a 3["x,y,z", "1/2+z,x,1/2-y", "z,1/2-x,1/2+y", "1/2-z,1/2+x,y", "-z,-x,-y", "1/2+y,1/2-z,-x", "1/2-y,-z,1/2+x", "-y,1/2+z,1/2-x", "y,z,x", "x,1/2-y,1/2+z", "1/2-x,1/2+y,z", "1/2+x,y,1/2-z", "-x,-y,-z", "1/2-z,-x,1/2+y", "-z,1/2+x,1/2-y", "1/2+z,1/2-x,-y", "z,x,y", "1/2-y,1/2+z,x", "1/2+y,z,1/2-x", "y,1/2-z,1/2+x", "-y,-z,-x", "-x,1/2+y,1/2-z", "1/2+x,1/2-y,-z", "1/2-x,-y,1/2+z"]G!}P 1 21/c 1["x,y,z", "x,1/2-y,1/2+z", "-x,1/2+y,1/2-z", "-x,-y,-z"]
�����!P 42/m n ms!P 63/m m cB	P a 35!P 1 21/c 1
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�q!Platarsite�a#Baddeleyite	�Pyrite�Garutiite<missing>
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��l74�*OActa Crystallographica, Section B27�213321392�=OPhysics and Chemistry of Minerals13�233237/�"IEuropean Journal of Mineralogy22�293304*�?The Canadian Mineralogist17�117123&�~7American Mineralogist10�281304
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�)R�=�F"�}#%%%#�]s *Ru O2<missing> Rutile-type compounds. VI.
 SiO2, GeO2 and a comparison with other rutile-type structures
 Note: data from Boman (1970)RuO24.49194.49193.106690909062.6827.050["Ru", "O"]AAAAACCqEgA=AAAAACCqEgA=AAAAAAAAAAA=00"<missing>"000000AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAgAAAAAAAgAAAACQAAAAQAAAAAAAAAgAAAgEAAAAACggACAAAggAgQAAAAEAAQIAQABBABABUAICAEAAABAgEIBCCIAkQUAAAAgFAADAiABFQJGAESAIgQQKAiIIYgBAgQQBhC==��w"�U1----#�]�=Zr O2<missing> In situ determination of crystal structure for high pressure
 phase of ZrO2 using a diamond anvil and single crystal X-ray
 diffraction method
 Sample: P = 15 kbar<missing>5.1205.2165.2819099.0190139.2945.876["Zr", "O1", "O2"]IM8QAGBVBADwxhsAMGkCAEC6FADwbS4AYLsMAEChFADwoR0A0kOcAAGCaAADgyQAA"<missing>"000000AAAAAAAAAAAAAAAAAAAACAAAAAAAJAAAAAAAAgAAQIAABQgAgACAiAAABCAAAA0WAYABACAQIRgAAlAQJEDgAQkAqBMggEgwgkhKIMMEosBESgJqSsCKRikJEKREcbIrEa+qaLDslDpria4DZucD28LCxjii9zZLT348jX==�I�(#�	M�Wymmmm#�]B"Ni.421 Fe.316 Ir.202 Pt.032 Co.008 Cu.006 Rh.006 Ru.004 Os.003Loma Peguera, Dominican Republic Garutiite, (Ni,Fe,Ir), a new hexagonal polymorph of native Ni from
 Loma Peguera, Dominican Republic<missing>2.69392.69394.2732909012026.85611.114["Ni", "Fe", "Ir", "Pt", "Co", "Cu", "Rh", "Ru", "Os"]VVgUAFVYFABVWBQAVVgUAFVYFABVWBQAVVgUAFVYFABVWBQAq7AoAKuwKACrsCgAq7AoAKuwKACrsCgAq7AoAKuwKACrsCgAQEIPAEBCDwBAQg8AQEIPAEBCDwBAQg8AQEIPAEBCDwBAQg8AILIZAIBJEwBAVAwAAPQBAAB9AADAXQAAwF0AAIA+AADgLgAA0"<missing>"000000AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAABAAAAgAQAAAAAAAAAAAAAAEAAAAAAAAAACAAAAAAAAQAABAAggAAAAgAAAIAAAABAAAAAAAAgACAAIAAAQAAEAEAAgCAAAACAAAIAAAgAAAAgBgEAAAAABAiAA==�z�1"cA�?_]]]]_]]]]]]�]q5Pt.35 Rh.31 Ru.29 Ir.05 Os.01 (As1.02 S.98)Onverwacht mine, Transvaal The crystal structure of platarsite, Pt(As,S)2, and a comparison with
 sperrylite, PtAs2<missing>5.7885.7885.788909090193.9038.524["Pt", "Rh", "Ru", "Ir", "Os", "As", "S"]AAAAAAAAAAAAAAAAAAAAAAAAAAAgjBcAIIwXAA==AAAAAAAAAAAAAAAAAAAAAAAAAAAgjBcAIIwXAA==AAAAAAAAAAAAAAAAAAAAAAAAAAAgjBcAIIwXAA==wFwVAMDrEgBAsxEAQA0DAECcAADAIB8AQOgdAA==0["Pt", "Rh", "Ru", "Ir", "Os", "As", "S"]cGcAAHBnAABwZwAAcGcAAHBnAADAmQAAwJkAAA==cGcAAHBnAABwZwAAcGcAAHBnAADAmQAAwJkAAA==cGcAAHBnAABwZwAAcGcAAHBnAADAmQAAwJkAAA==qAIAAKgCAACoAgAAqAIAAKgCAAAAAAAAAAAAAA==AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==qAIAAKgCAACoAgAAqAIAAKgCAAAAAAAAAAAAAA==AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAIAAAAQAAAEAAAIAAAAAAQAAIAAAAAgACAAQACAAAAIACABABAAgAgBAAACAEAIAgAAEAQAAIBAEAgEAgEAAEBAICAgICAAICAgQECAgAICAAgAIEABBAggQIEAEECCCCBABBBBB==�}!-o#%%%#�]5�Fe S2natural, unknown The crystal structures of some metallic sulfides<missing>5.385.385.38909090155.7215.118["Fe", "S"]AAAAAEChFAA=AAAAAEChFAA=AAAAAEChFAA=00"<missing>"000000AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAACAAAAAgAAAEAAACAAAAAAAgAAIAAAAAEAAEAAQABAAAABAAIAEABAAgAQAIAAAIAIAQAQAABACAAAQBAEAQBAEAgAAQCAQCAQCAgABAQCAgICAQACAgAEAAgIACBAgIECBAAQ==
,$�����������xmbWLA6+!������������zodYNC9.$,9414O	+9414Ru*7415O	)7415Zr	(7336Os	'7336Ru	&7336Rh	%7336Cu	$7336Co	#7336Pt	"7336Ir	!7336Fe	 7336Ni5169S	5169As	5169Os	5169Ir	5169Ru	5169Rh	5169Pt6S6Fe9414O	9414Ru7415O	7415Zr	7336Os	7336Ru	7336Rh	7336Cu	7336Co	
7336Pt	7336Ir	7336Fe	
7336Ni	6S6Fe5169S	5169As	5169Os	5169Ir	5169Ru	5169Rh	5169Pt