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 565 Records Sorted by D1 using 1.54056 - CuKa1 for 2θ WHERE (d1 > 2.85376 AND d1 < 2.97024)
D1
Å (2θ)
I1
%)
D2
Å (2θ)
I2
(%)
D3
Å (2θ)
I3
(%)
Mineral Formula
2.854(31.32) 100 2.646(33.85) 86 2.916(30.63) 86 Mottanaite-(Ce) Ca4(Ce,Ca)2AlBe2[Si4B4O22]O2
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 3.084(28.93) 90 2.926(30.53) 65 Fukalite Ca4Si2O6(CO3)(OH,F)2
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
2.855(31.30) 100 9.160(9.65) 55 4.576(19.38) 55 Hopeite Zn3(PO4)2•4(H2O)
2.855(31.30) 100 2.475(36.27) 50 1.493(62.12) 32 Lead Pb
2.855(31.30) 100 4.576(19.38) 55 9.160(9.65) 55 Hopeite Zn3(PO4)2•4(H2O)
2.856(31.29) 100 3.327(26.77) 16 3.416(26.06) 10 Teallite PbSnS2
2.856(31.29) 100 3.020(29.55) 100 10.110(8.74) 85 Iquiqueite K3Na4Mg(Cr++++++O4)B24O39(OH)•12(H2O)
2.857(31.28) 100 2.944(30.34) 100 4.625(19.17) 100 Thomsonite-Ca NaCa2Al5Si5O20•6(H2O)
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)
2.858(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 1.602(57.48) 90 1.829(49.81) 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 2.182(41.34) 90 1.602(57.48) 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 2.807(31.85) 70 3.234(27.56) 30 Normandite NaCa(Mn++,Fe++)(Ti,Nb,Zr)Si2O7(O,F)2
2.859(31.26) 100 2.456(36.56) 32 3.075(29.01) 25 Alumoakermanite (Ca,Na)2(Al,Mg,Fe++)(Si2O7)
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 2.740(32.65) 100 2.900(30.81) 100 Kentrolite Pb2Mn+++2Si2O9
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 2.930(30.48) 30 2.640(33.93) 30 Braggite (Pt,Pd,Ni)S
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 2.050(44.14) 40 1.970(46.03) 40 Breithauptite NiSb
2.860(31.25) 100 2.020(44.83) 80 0.933(111.30) 80 Kieftite CoSb3
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 3.500(25.43) 90 2.715(32.96) 70 Graftonite (Fe++,Mn,Ca)3(PO4)2
2.860(31.25) 100 3.190(27.95) 60 2.594(34.55) 50 Ferromerrillite Ca9NaFe(PO4)7
2.860(31.25) 100 0.933(111.30) 80 2.020(44.83) 80 Kieftite CoSb3
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 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 2.340(38.44) 90 4.020(22.09) 70 Parkerite Ni3(Bi,Pb)2S2
2.860(31.25) 100 2.030(44.60) 80 3.430(25.96) 70 Incaite Pb4Sn4FeSb2S15
2.860(31.25) 100 2.010(45.07) 60 1.810(50.37) 30 Rhodplumsite Pb2Rh3S2
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 1.670(54.94) 80 2.360(38.10) 70 Siegenite (Ni,Co)3S4
2.860(31.25) 100 1.620(56.78) 90 3.770(23.58) 80 Perite PbBiO2Cl
2.860(31.25) 100 2.930(30.48) 100 2.140(42.19) 90 Tyretskite Ca2B5O9(OH)•(H2O)
2.860(31.25) 100 2.960(30.17) 90 3.060(29.16) 90 Latiumite (Ca,K)8(Al,Mg,Fe)(Si,Al)10O25(SO4)
2.860(31.25) 100 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 2.950(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 3.160(28.22) 75 9.520(9.28) 60 Syngenite K2Ca(SO4)2•(H2O)
2.860(31.25) 100 2.980(29.96) 100 3.430(25.96) 90 Taseqite Na12Sr3Ca6Fe3Zr3NbSi25O73(O,OH,H2O)3Cl2
2.861(31.24) 100 3.452(25.79) 90 3.578(24.86) 58 IMA2008-058 Ag5Bi13S22
2.862(31.23) 100 3.078(28.99) 80 1.963(46.21) 50 Monazite-(Ce) (Ce,La,Nd,Th)PO4
2.863(31.22) 100 2.023(44.76) 100 3.530(25.21) 50 Mummeite Cu0.58Ag3.11Pb1.10Bi6.65S13
2.863(31.22) 100 2.388(37.64) 50 2.653(33.76) 50 Samfowlerite Ca14Mn++3Zn2(Be,Zn)2Be6(SiO4)6(Si2O7)4(OH,F)6
2.863(31.22) 100 2.653(33.76) 50 2.388(37.64) 50 Samfowlerite Ca14Mn++3Zn2(Be,Zn)2Be6(SiO4)6(Si2O7)4(OH,F)6
2.863(31.22) 100 3.490(25.50) 100 2.708(33.05) 60 Beusite (Mn++,Fe++,Ca,Mg)3(PO4)2
2.866(31.18) 100 3.383(26.32) 75 2.831(31.58) 72 Loveringite (Ca,Ce)(Ti,Fe+++,Cr,Mg)21O38
2.867(31.17) 100 6.549(13.51) 50 4.387(20.23) 50 Tetranatrolite Na2[Al2Si3O10]•2(H2O)
2.867(31.17) 100 3.254(27.39) 95 7.980(11.08) 90 Beryl Be3Al2Si6O18
2.867(31.17) 100 4.387(20.23) 50 6.549(13.51) 50 Tetranatrolite Na2[Al2Si3O10]•2(H2O)
2.867(31.17) 100 3.735(23.80) 96 3.347(26.61) 84 IMA2008-053 Cu7Pb27Bi25S68
2.868(31.16) 100 2.030(44.60) 90 2.345(38.35) 75 Elpasolite K2NaAlF6
2.868(31.16) 100 3.085(28.92) 60 3.711(23.96) 50 Hardystonite Ca2ZnSi2O7
2.869(31.15) 100 1.743(52.45) 100 2.651(33.78) 70 Sonolite Mn9(SiO4)4(OH,F)2
2.869(31.15) 100 2.965(30.12) 80 11.820(7.47) 55 Hodgkinsonite MnZn2SiO4(OH)2
2.870(31.14) 100 1.760(51.91) 30 3.090(28.87) 30 Akermanite Ca2MgSi2O7
2.870(31.14) 100 3.650(24.37) 100 3.900(22.78) 100 Sahamalite-(Ce) (Mg,Fe++)Ce2(CO3)4
2.870(31.14) 100 3.090(28.87) 100 4.200(21.14) 70 Steenstrupine-(Ce) Na14Ce6Mn++Mn+++Fe++2(Zr,Th)(Si6O18)2(PO4)7•3(H2O)
2.870(31.14) 100 3.050(29.26) 90 3.260(27.33) 70 Triplite (Mn,Fe++,Mg,Ca)2(PO4)(F,OH)
2.870(31.14) 100 3.000(29.76) 90 3.280(27.16) 45 Hiortdahlite (Ca,Na,Y)3(Zr,Ti)Si2O7(F,O,OH)2
2.870(31.14) 100 2.680(33.41) 60 3.130(28.49) 40 Paakkonenite Sb2AsS2
2.870(31.14) 100 1.900(47.83) 80 1.998(45.35) 80 Belovite-(Ce) (Sr,Ce,Na,Ca)5(PO4)3(OH)
2.870(31.14) 100 1.740(52.55) 100 3.310(26.91) 100 Hollingworthite (Rh,Pt,Pd)AsS
2.870(31.14) 100 1.740(52.55) 100 3.320(26.83) 100 Irarsite (Ir,Ru,Rh,Pt)AsS
2.870(31.14) 100 3.700(24.03) 70 2.625(34.13) 60 Antimonselite Sb2Se3
2.870(31.14) 100 2.686(33.33) 50 3.030(29.45) 30 Caryinite (Na,Pb)(Ca,Na)(Ca,Mn++)(Mn++,Mg)2(AsO4)3
2.870(31.14) 100 1.998(45.35) 80 1.900(47.83) 80 Belovite-(Ce) (Sr,Ce,Na,Ca)5(PO4)3(OH)
2.870(31.14) 100 3.900(22.78) 100 3.650(24.37) 100 Sahamalite-(Ce) (Mg,Fe++)Ce2(CO3)4
2.870(31.14) 100 3.090(28.87) 30 1.760(51.91) 30 Akermanite Ca2MgSi2O7
2.872(31.11) 100 3.195(27.90) 70 2.982(29.94) 60 Bustamite (Mn,Ca)3Si3O9
2.872(31.11) 100 11.510(7.67) 100 3.065(29.11) 47 Tuscanite K(Ca,Na)6(Si,Al)10O22(SO4,CO3,(OH)2)•(H2O)
2.872(31.11) 100 2.829(31.60) 78 10.361(8.53) 69 Chloroxiphite Pb3CuCl2(OH)2O2
2.872(31.11) 100 2.743(32.62) 100 5.511(16.07) 80 Gianellaite Hg4(SO4)N2
2.873(31.10) 100 2.768(32.32) 100 4.251(20.88) 100 Vuonnemite Na11Nb2TiSi4O12(PO4)2O5F2
2.874(31.09) 100 2.204(40.91) 90 4.290(20.69) 90 Papagoite CaCuAlSi2O6(OH)3
2.874(31.09) 100 4.290(20.69) 90 2.204(40.91) 90 Papagoite CaCuAlSi2O6(OH)3
2.875(31.08) 100 2.131(42.38) 100 3.390(26.27) 100 Crichtonite (Sr,La,Ce,Y)(Ti,Fe+++,Mn)21O38
2.876(31.07) 100 2.068(43.74) 60 4.340(20.45) 40 Coiraite (Pb,Sn)12.5As3Sn5FeS28
2.877(31.06) 100 3.974(22.35) 28 1.878(48.43) 26 IMA2008-068 Ca2Pb3(PO4)3F
2.879(31.04) 100 3.253(27.39) 90 5.390(16.43) 80 Cervandonite-(Ce) (Ce,Nd,La)(Fe+++,Fe++,Ti++++,Al)3(SiO7)1-x+y(AsO3)1+x-y(OH)3x-3y
2.879(31.04) 100 3.564(24.96) 70 4.880(18.16) 40 Bastnasite-(Ce) Ce(CO3)F
2.879(31.04) 100 3.357(26.53) 60 3.127(28.52) 50 Iltisite HgSAg(Cl,Br)
2.880(31.03) 100 2.610(34.33) 100 4.150(21.39) 75 Tangeite CaCu(VO4)(OH)
2.880(31.03) 100 2.050(44.14) 90 3.380(26.35) 90 Bursaite Pb5Bi4S11
2.880(31.03) 100 2.702(33.13) 80 2.636(33.98) 70 Quadruphite-VIII Na14CaMgTi4(Si2O7)2(PO4)4O4F2
2.880(31.03) 100 4.810(18.43) 90 2.600(34.47) 80 Gadolinite-(Ce) (Ce,La,Nd,Y)2Fe++Be2Si2O10
2.880(31.03) 100 3.560(24.99) 70 4.880(18.16) 40 Bastnasite-(La) La(CO3)F

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