X-Ray Diffraction Table

X-Ray Diffraction Table

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Minerals Arranged by X-Ray Powder Diffraction

See Help on X-Ray Diffraction.

Powder X-ray Diffraction (XRD) is one of the primary techniques used by mineralogists and solid state chemists to examine the physico-chemical make-up of unknown materials. This data is represented in a collection of single-phase X-ray powder diffraction patterns for the three most intense D values in the form of tables of interplanar spacings (D), relative intensities (I/Io), mineral name and chemical formulae

The XRD technique takes a sample of the material and places a powdered sample in a holder, then the sample is illuminated with x-rays of a fixed wave-length and the intensity of the reflected radiation is recorded using a goniometer. This data is then analyzed for the reflection angle to calculate the inter-atomic spacing (D value in Angstrom units - 10-8 cm). The intensity(I) is measured to discriminate (using I ratios) the various D spacings and the results are compared to this table to identify possible matches. Note: 2 theta (Θ) angle calculated from the Bragg Equation, 2 Θ = 2(arcsin(n λ/(2d)) where n=1;

For more information about this technique, see X-Ray Analysis of a Solid or take an internet course at Birkbeck College On-line Courses.  Many thanks to Frederic Biret for these data.

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Listing of 566 Records Sorted by D1 using 1.54056 - CuKa1 for 2θ WHERE (d1 > 2.84788 AND d1 < 2.96412)
D1
Å (2θ)
I1
%)
D2
Å (2θ)
I2
(%)
D3
Å (2θ)
I3
(%)
Mineral Formula
2.848(31.38) 100 2.971(30.05) 78 4.300(20.64) 53 Golyshevite (Na,Ca)10Ca9(Fe+++,Fe++)2Zr3NbSi25O72(CO3)(OH)3•H2O
2.849(31.37) 100 3.100(28.77) 50 3.071(29.05) 50 Foordite Sn++(Nb,Ta)2O6
2.849(31.37) 100 3.464(25.70) 100 3.594(24.75) 90 Pavonite (Ag,Cu)(Bi,Pb)3S5
2.849(31.37) 100 3.071(29.05) 50 3.100(28.77) 50 Foordite Sn++(Nb,Ta)2O6
2.849(31.37) 100 2.970(30.06) 83 3.204(27.82) 38 Carbokentbrooksite (Na,[ ])12(Na,Ce)3Ca6Mn3Zr3Nb(Si25O73)(OH)3(CO3)•H2O
2.850(31.36) 100 2.190(41.19) 90 1.510(61.34) 90 Barytolamprophyllite Ba2Na3(Fe+++,Ti)3(Si2O7)2(O,OH,F)4
2.850(31.36) 100 3.190(27.95) 60 3.430(25.96) 60 Merrillite-(Ca) (Ca,[ ])19Mg2(PO4)14
2.850(31.36) 100 3.190(27.95) 60 3.430(25.96) 60 Merrillite Ca18Na2Mg2(PO4)14
2.850(31.36) 100 1.582(58.27) 100 1.433(65.03) 100 Batisivite (Ti,V,Cr)14Ba[Si2O7]O22
2.850(31.36) 100 3.190(27.95) 60 3.430(25.96) 60 Merrillite-(Y) Ca16Y2Mg2(PO4)14
2.850(31.36) 100 1.750(52.23) 100 2.430(36.96) 70 Gehlenite Ca2Al(AlSi)O7
2.850(31.36) 100 3.190(27.95) 60 2.580(34.74) 60 Merrillite-(Ca) (Ca,[ ])19Mg2(PO4)14
2.850(31.36) 100 3.190(27.95) 60 2.580(34.74) 60 Merrillite Ca18Na2Mg2(PO4)14
2.850(31.36) 100 3.190(27.95) 60 2.580(34.74) 60 Merrillite-(Y) Ca16Y2Mg2(PO4)14
2.850(31.36) 100 3.660(24.30) 80 2.720(32.90) 80 Ecdemite Pb6As+++2O7Cl4
2.850(31.36) 100 3.630(24.50) 50 3.485(25.54) 50 Makovickyite Ag1.5Bi5.5S9
2.850(31.36) 100 2.970(30.06) 90 2.090(43.25) 90 Aphthitalite (K,Na)3Na(SO4)2
2.850(31.36) 100 3.120(28.59) 30 2.470(36.34) 30 Magnussonite Mn++5As+++3O9(OH,Cl)
2.850(31.36) 100 2.030(44.60) 100 3.540(25.14) 80 Thorbastnasite Th(Ca,Ce)(CO3)2F2•3(H2O)
2.850(31.36) 100 2.020(44.83) 100 3.040(29.36) 100 Marianoite Na2Ca4(Nb,Zr)2(Si2O7)2(O,F)4
2.850(31.36) 100 5.890(15.03) 85 2.870(31.14) 80 Natrolite Na2[Al2Si3O10]•2(H2O)
2.850(31.36) 100 3.850(23.08) 80 5.970(14.83) 60 Wadeite K2ZrSi3O9
2.850(31.36) 100 2.580(34.74) 60 3.190(27.95) 60 Merrillite Ca18Na2Mg2(PO4)14
2.850(31.36) 100 2.580(34.74) 60 3.190(27.95) 60 Merrillite-(Ca) (Ca,[ ])19Mg2(PO4)14
2.850(31.36) 100 2.580(34.74) 60 3.190(27.95) 60 Merrillite-(Y) Ca16Y2Mg2(PO4)14
2.850(31.36) 100 2.720(32.90) 80 3.660(24.30) 80 Ecdemite Pb6As+++2O7Cl4
2.850(31.36) 100 2.090(43.25) 90 2.970(30.06) 90 Aphthitalite (K,Na)3Na(SO4)2
2.850(31.36) 100 2.840(31.47) 80 3.090(28.87) 50 Balyakinite CuTeO3
2.850(31.36) 100 3.080(28.97) 80 4.550(19.49) 40 Wittichenite Cu3BiS3
2.850(31.36) 100 3.130(28.49) 86 2.560(35.02) 46 Hingganite-(Ce) (Ce,Ca)2([ ],Fe)Be2Si2O8[(OH),O]2
2.850(31.36) 100 3.130(28.49) 100 2.572(34.85) 80 Hingganite-(Yb) (Yb,Y)2([ ])Be2Si2O8(OH)2
2.850(31.36) 100 3.150(28.31) 70 2.780(32.17) 60 Fluorcalciobritholite (Ca,REE)5[(Si,P)O4]3F
2.850(31.36) 100 2.470(36.34) 30 3.120(28.59) 30 Magnussonite Mn++5As+++3O9(OH,Cl)
2.850(31.36) 100 2.100(43.04) 80 1.580(58.36) 70 Shuangfengite IrTe2
2.850(31.36) 100 3.485(25.54) 50 3.630(24.50) 50 Makovickyite Ag1.5Bi5.5S9
2.850(31.36) 100 1.803(50.58) 90 1.795(50.82) 80 Godlevskite (Ni,Fe)9S8
2.850(31.36) 100 1.674(54.79) 80 1.820(50.08) 60 Violarite Fe++Ni+++2S4
2.850(31.36) 100 1.510(61.34) 90 2.190(41.19) 90 Barytolamprophyllite Ba2Na3(Fe+++,Ti)3(Si2O7)2(O,OH,F)4
2.851(31.35) 100 3.539(25.14) 80 3.427(25.98) 80 Benjaminite (Ag,Cu)3(Bi,Pb)7S12
2.851(31.35) 100 3.427(25.98) 80 3.539(25.14) 80 Benjaminite (Ag,Cu)3(Bi,Pb)7S12
2.852(31.34) 100 1.717(53.31) 40 2.548(35.19) 30 Villamaninite (Cu,Ni,Co,Fe)S2
2.853(31.33) 100 2.014(44.97) 80 3.290(27.08) 80 Schapbachite AgBiS2
2.853(31.33) 100 2.674(33.48) 73 3.186(27.98) 43 Derbylite (Fe+++,Fe++,Ti)7Sb+++O13(OH)
2.853(31.33) 100 2.775(32.23) 85 3.432(25.94) 45 Aiolosite Na4Bi(SO4)3Cl
2.853(31.33) 100 2.974(30.02) 86 4.311(20.59) 66 Raslakite Na15Ca3Fe3(Na,Zr)3Zr3(Si,Nb)(Si25O73)(OH,H2O)3(Cl,OH)
2.853(31.33) 100 3.290(27.08) 80 2.014(44.97) 80 Schapbachite AgBiS2
2.853(31.33) 100 3.127(28.52) 65 2.990(29.86) 59 Eveslogite (Ca,K,Na,Sr,Ba)48[(Ti,Nb,Fe,Mn)12(OH)12Si48O144](F,OH,Cl)14
2.854(31.32) 100 3.084(28.93) 90 2.926(30.53) 65 Fukalite Ca4Si2O6(CO3)(OH,F)2
2.854(31.32) 100 2.916(30.63) 86 2.646(33.85) 86 Mottanaite-(Ce) Ca4(Ce,Ca)2AlBe2[Si4B4O22]O2
2.854(31.32) 100 2.977(29.99) 81 4.310(20.59) 69 Feklichevite Na11Ca9(Fe+++,Fe++)2Zr3Nb[Si25O73](OH,H2O,Cl,O)5
2.854(31.32) 100 2.646(33.85) 86 2.916(30.63) 86 Mottanaite-(Ce) Ca4(Ce,Ca)2AlBe2[Si4B4O22]O2
2.855(31.30) 100 9.160(9.65) 55 4.576(19.38) 55 Hopeite Zn3(PO4)2•4(H2O)
2.855(31.30) 100 4.576(19.38) 55 9.160(9.65) 55 Hopeite Zn3(PO4)2•4(H2O)
2.855(31.30) 100 2.475(36.27) 50 1.493(62.12) 32 Lead Pb
2.856(31.29) 100 3.020(29.55) 100 10.110(8.74) 85 Iquiqueite K3Na4Mg(Cr++++++O4)B24O39(OH)•12(H2O)
2.856(31.29) 100 3.327(26.77) 16 3.416(26.06) 10 Teallite PbSnS2
2.857(31.28) 100 3.693(24.08) 85 5.055(17.53) 75 Malachite Cu2(CO3)(OH)2
2.857(31.28) 100 4.625(19.17) 100 2.944(30.34) 100 Thomsonite-Ca NaCa2Al5Si5O20•6(H2O)
2.857(31.28) 100 2.944(30.34) 100 4.625(19.17) 100 Thomsonite-Ca NaCa2Al5Si5O20•6(H2O)
2.858(31.27) 100 1.762(51.85) 27 3.079(28.98) 24 Melilite (Ca,Na)2(Al,Mg,Fe++)(Si,Al)2O7
2.858(31.27) 100 2.182(41.34) 90 1.602(57.48) 70 Ferroskutterudite (Fe,Co)As3
2.858(31.27) 100 1.746(52.36) 80 1.489(62.30) 80 Murataite (Y,Na)6(Zn,Fe+++)5(Ti,Nb)12O29(O,F)14
2.858(31.27) 100 1.602(57.48) 90 1.829(49.81) 70 Ferroskutterudite (Fe,Co)As3
2.858(31.27) 100 1.489(62.30) 80 1.746(52.36) 80 Murataite (Y,Na)6(Zn,Fe+++)5(Ti,Nb)12O29(O,F)14
2.859(31.26) 100 2.456(36.56) 32 3.075(29.01) 25 Alumoakermanite (Ca,Na)2(Al,Mg,Fe++)(Si2O7)
2.859(31.26) 100 2.807(31.85) 70 3.234(27.56) 30 Normandite NaCa(Mn++,Fe++)(Ti,Nb,Zr)Si2O7(O,F)2
2.860(31.25) 100 2.930(30.48) 30 2.640(33.93) 30 Braggite (Pt,Pd,Ni)S
2.860(31.25) 100 2.020(44.83) 80 0.933(111.30) 80 Kieftite CoSb3
2.860(31.25) 100 2.050(44.14) 40 1.970(46.03) 40 Breithauptite NiSb
2.860(31.25) 100 3.430(25.96) 100 9.510(9.29) 90 Taseqite Na12Sr3Ca6Fe3Zr3NbSi25O73(O,OH,H2O)3Cl2
2.860(31.25) 100 1.044(95.09) 30 1.614(57.01) 20 Butschliite K2Ca(CO3)2
2.860(31.25) 100 2.030(44.60) 80 3.430(25.96) 70 Incaite Pb4Sn4FeSb2S15
2.860(31.25) 100 2.740(32.65) 100 2.900(30.81) 100 Kentrolite Pb2Mn+++2Si2O9
2.860(31.25) 100 2.691(33.27) 100 2.960(30.17) 100 Thomsonite-Sr (Sr,Ca)2Na[Al5Si5O20]•7(H2O)
2.860(31.25) 100 3.160(28.22) 75 9.520(9.28) 60 Syngenite K2Ca(SO4)2•(H2O)
2.860(31.25) 100 3.060(29.16) 90 2.960(30.17) 90 Latiumite (Ca,K)8(Al,Mg,Fe)(Si,Al)10O25(SO4)
2.860(31.25) 100 0.933(111.30) 80 2.020(44.83) 80 Kieftite CoSb3
2.860(31.25) 100 3.030(29.45) 90 3.200(27.86) 70 Zwieselite (Fe++,Mn)2(PO4)F
2.860(31.25) 100 3.020(29.55) 30 1.044(95.09) 20 Butschliite K2Ca(CO3)2
2.860(31.25) 100 2.980(29.96) 100 3.430(25.96) 90 Taseqite Na12Sr3Ca6Fe3Zr3NbSi25O73(O,OH,H2O)3Cl2
2.860(31.25) 100 2.960(30.17) 90 3.060(29.16) 90 Latiumite (Ca,K)8(Al,Mg,Fe)(Si,Al)10O25(SO4)
2.860(31.25) 100 2.950(30.27) 100 1.764(51.78) 80 Nordite-(La) (Na,Mn)3(Sr,Ca)(La,Ce)(Zn,Mg)Si6O17
2.860(31.25) 100 2.930(30.48) 100 2.140(42.19) 90 Tyretskite Ca2B5O9(OH)•(H2O)
2.860(31.25) 100 2.910(30.70) 100 2.610(34.33) 80 Vysotskite (Pd,Ni)S
2.860(31.25) 100 2.750(32.53) 60 3.490(25.50) 50 Fermorite (Ca,Sr)5(AsO4,PO4)3(OH)
2.860(31.25) 100 2.640(33.93) 30 2.930(30.48) 30 Braggite (Pt,Pd,Ni)S
2.860(31.25) 100 1.970(46.03) 40 2.050(44.14) 40 Breithauptite NiSb
2.860(31.25) 100 1.674(54.79) 80 1.825(49.93) 60 Carrollite Cu(Co,Ni)2S4
2.860(31.25) 100 3.190(27.95) 60 2.594(34.55) 50 Ferromerrillite Ca9NaFe(PO4)7
2.860(31.25) 100 3.500(25.43) 90 2.715(32.96) 70 Graftonite (Fe++,Mn,Ca)3(PO4)2
2.860(31.25) 100 1.559(59.22) 90 3.260(27.33) 80 Turtmannite (Mn,Mg)25.5[(V,As)O4]3(SiO4)3[AsO3]xO5-5x(OH)20+x
2.860(31.25) 100 1.620(56.78) 90 3.770(23.58) 80 Perite PbBiO2Cl
2.860(31.25) 100 1.670(54.94) 80 2.360(38.10) 70 Siegenite (Ni,Co)3S4
2.860(31.25) 100 2.340(38.44) 90 4.020(22.09) 70 Parkerite Ni3(Bi,Pb)2S2
2.860(31.25) 100 1.810(50.37) 60 2.440(36.80) 30 Rhodplumsite Pb2Rh3S2
2.860(31.25) 100 18.740(4.71) 100 8.970(9.85) 90 Strashimirite Cu8(AsO4)4(OH)4•5(H2O)
2.860(31.25) 100 9.340(9.46) 70 5.000(17.72) 60 Wilhelmvierlingite CaMn++Fe+++(PO4)2(OH)•2(H2O)
2.860(31.25) 100 9.300(9.50) 80 4.980(17.80) 50 Keckite Ca(Mn,Zn)2Fe+++3(PO4)4(OH)3•2(H2O)
2.860(31.25) 100 5.790(15.29) 70 4.350(20.40) 50 Mesolite Na2Ca2Al6Si9O30•8(H2O)
2.860(31.25) 100 2.010(45.07) 60 1.810(50.37) 30 Rhodplumsite Pb2Rh3S2

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