Mineralogy Database

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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Found 4479 Records, Sorted by D1 using 1.54056 - CuKa1 for 2θ
D1
Å (2θ)
I1
%)
D2
Å (2θ)
I2
(%)
D3
Å (2θ)
I3
(%)
Mineral Formula
5.436(16.29) 200 4.994(17.75) 180 7.060(12.53) 180 Bideauxite Pb2AgCl3(F,OH)2
5.436(16.29) 200 3.792(23.44) 100 3.910(22.72) 100 Verbeekite PdSe2
5.438(16.29) 200 8.220(10.75) 200 3.634(24.48) 160 Gmelinite-K (K,Na,Ca)6(Al7Si17O48)·22(H2O)
5.440(16.28) 200 6.360(13.91) 160 8.960(9.86) 140 Rankinite Ca3Si2O7
5.440(16.28) 200 3.312(26.90) 140 4.280(20.74) 100 Braunite-I Mn++Mn+++6SiO12
5.440(16.28) 200 16.560(5.33) 180 18.000(4.91) 180 Manganocummingtonite Na(Na,Mn)2(Mg4,Fe+++)5Si8O22(OH)2
5.440(16.28) 200 6.078(14.56) 144 3.252(27.40) 112 Morimotoite Ca3TiFe++Si3O12
5.440(16.28) 200 3.312(26.90) 140 4.280(20.74) 100 Braunite-II Mn++Mn+++6SiO12
5.440(16.28) 200 3.314(26.88) 180 2.842(31.45) 160 Bixbyite (Mn+++,Fe+++)2O3
5.440(16.28) 200 17.800(4.96) 200 6.580(13.45) 180 Kolfanite Ca2Fe+++3O2(AsO4)3·2(H2O)
5.440(16.28) 200 5.200(17.04) 160 7.440(11.89) 140 Natrophilite NaMnPO4
5.440(16.28) 200 16.960(5.21) 162 5.220(16.97) 118 Potassic-ferropargasite KCa2(Fe++4Al)Si6Al2O22(OH)2
5.440(16.28) 200 3.654(24.34) 180 4.900(18.09) 160 Glaucodot (Co,Fe)AsS
5.440(16.28) 200 16.840(5.24) 200 6.180(14.32) 160 Riebeckite [ ]Na2(Fe++3Fe+++2)Si8O22(OH)2
5.440(16.28) 200 5.560(15.93) 200 6.120(14.46) 160 Tundrite-(Ce) Na2Ce2TiO2(SiO4)(CO3)2
5.440(16.28) 200 7.700(11.48) 160 3.498(25.44) 140 Seligmannite PbCuAsS3
5.440(16.28) 200 7.580(11.66) 180 3.820(23.27) 160 Buchwaldite NaCaPO4
5.444(16.27) 200 17.344(5.09) 160 4.374(20.29) 100 IMA2007-010 PbHgAs2S6
5.444(16.27) 200 6.980(12.67) 160 5.520(16.04) 80 Maoniupingite-(Ce) (REE,Ca)4(Fe+++,Ti,Fe++,[ ])(Ti,Fe+++,Fe++,Nb)4Si4O22
5.444(16.27) 200 8.440(10.47) 180 6.282(14.09) 160 Amicite K2Na2Al4Si4O16·5(H2O)
5.444(16.27) 200 17.030(5.18) 160 6.814(12.98) 120 IMA2009-034 NaNa2(Fe++3Fe+++Ti)Si8O22O2
5.444(16.27) 200 4.436(2-) 140 5.054(17.53) 110 Geikielite MgTiO3
5.446(16.26) 200 5.984(14.79) 180 6.220(14.23) 160 Prosperite CaZn2(AsO4)2·(H2O)
5.446(16.26) 200 3.327(26.77) 80 5.558(15.93) 80 Stavelotite-(La) La3Mn++3Cu++(Mn+++,Fe+++,Mn++++)26(Si2O7)6O30
5.448(16.26) 200 5.278(16.78) 114 4.062(21.86) 100 Clinophosinaite Na3CaPSiO7
5.450(16.25) 200 6.100(14.51) 160 4.122(21.54) 150 Congolite (Fe++,Mg,Mn)3B7O13Cl
5.450(16.25) 200 5.832(15.18) 180 5.998(14.76) 160 Marsturite NaCaMn3[Si5O14(OH)]
5.452(16.24) 200 7.068(12.51) 120 9.780(9.03) 60 Retzian-(Nd) Mn2(Nd,Ce,La)(AsO4)(OH)4
5.452(16.24) 200 10.944(8.07) 64 6.910(12.80) 34 Hejtmanite Ba(Mn,Fe++)2TiO(Si2O7)(OH,F)2
5.454(16.24) 200 6.896(12.83) 174 7.792(11.35) 132 Cesanite Na7Ca3(SO4)6(OH)·0.8(H2O)
5.456(16.23) 200 3.344(26.63) 170 2.854(31.32) 120 Neltnerite CaMn+++6SiO12
5.458(16.23) 200 5.832(15.18) 200 6.840(12.93) 110 Parwelite (Mn,Mg)5Sb(As,Si)2O12
5.458(16.23) 200 4.014(22.13) 90 3.020(29.55) 70 Kitkaite NiTeSe
5.460(16.22) 200 5.880(15.05) 120 3.680(24.16) 80 Stornesite-(Y) (Y, Ca)[ ]2Na6(Ca,Na)8(Mg,Fe)43(PO4)36
5.460(16.22) 200 5.680(15.59) 200 6.560(13.49) 200 Semenovite (Na,Ca)9(Ce,La)2(Fe++,Mn)(Si,Be)20(O,OH,F)48
5.460(16.22) 200 5.060(17.51) 180 3.420(26.03) 140 Ecandrewsite (Zn,Fe++,Mn++)TiO3
5.460(16.22) 200 5.760(15.37) 180 5.180(17.10) 140 Cebollite Ca5Al2(SiO4)3(OH)4
5.460(16.22) 200 6.600(13.40) 200 7.160(12.35) 200 Vaterite CaCO3
5.460(16.22) 200 12.600(7.01) 160 6.140(14.41) 130 Alluaudite NaCaFe++(Mn,Fe++,Fe+++,Mg)2(PO4)3
5.460(16.22) 200 4.446(19.95) 140 7.982(11.08) 140 Brodtkorbite Cu2HgSe2
5.464(16.21) 200 5.828(15.19) 200 11.046(8.00) 160 Melanotekite Pb2Fe+++2Si2O9
5.466(16.20) 200 5.528(16.02) 200 5.567(15.91) 200 Rheniite ReS2
5.470(16.19) 200 5.544(15.97) 200 4.648(19.08) 60 Tillmannsite (Ag3Hg)(V,As)O4
5.470(16.19) 200 5.790(15.29) 160 6.000(14.75) 160 Tassieite (Na,[ ])Ca2(Mg,Fe++,Fe+++)2(Fe+++,Mg)2(Fe++,Mg)2(PO4)6(H2O)2
5.472(16.18) 200 10.680(8.27) 130 7.380(11.98) 100 Artinite Mg2(CO3)(OH)2·3(H2O)
5.474(16.18) 200 5.748(15.40) 140 8.150(10.85) 100 Schreyerite V+++2Ti3O9
5.480(16.16) 200 14.880(5.93) 110 5.132(17.26) 106 Phosinaite-(Ce) Na13Ca2Ce[Si4O12](PO4)4
5.480(16.16) 200 5.720(15.48) 200 5.800(15.26) 200 Kentrolite Pb2Mn+++2Si2O9
5.480(16.16) 200 3.536(25.16) 100 5.370(16.49) 90 Bournonite PbCuSbS3
5.480(16.16) 200 5.120(17.31) 80 6.800(13.01) 80 Varulite NaCaMn(Mn,Fe++,Fe+++)2(PO4)3
5.480(16.16) 200 4.388(20.22) 110 4.874(18.19) 110 Kraisslite (Mn++,Mg)24Zn3Fe+++(As+++O3)2(As+++++O4)3(SiO4)6(OH)18
5.480(16.16) 200 7.560(11.70) 140 6.100(14.51) 120 Hutchinsonite (Pb,Tl)2As5S9
5.480(16.16) 200 4.960(17.87) 180 6.540(13.53) 160 Proustite Ag3AsS3
5.480(16.16) 200 5.540(15.98) 200 3.740(23.77) 180 Ruarsite RuAsS
5.480(16.16) 200 5.720(15.48) 160 3.360(26.51) 140 Mosesite Hg2N(Cl,SO4,MoO4,CO3)·(H2O)
5.480(16.16) 200 3.164(28.18) 50 7.740(11.42) 50 Salammoniac NH4Cl
5.482(16.15) 200 3.384(26.31) 90 7.086(12.48) 72 Gaspeite (Ni,Mg,Fe++)CO3
5.484(16.15) 200 4.204(21.12) 90 3.400(26.19) 70 Magnesite MgCO3
5.486(16.14) 200 6.424(13.77) 140 7.444(11.88) 80 Yecoraite Bi5Fe+++3(Te++++O3)(Te++++++O4)2O9·9(H2O)
5.486(16.14) 200 3.228(27.61) 112 5.514(16.06) 110 Holtstamite Ca3(Al,Mn+++)2(SiO4)2(OH)4
5.486(16.14) 200 7.102(12.45) 80 3.404(26.16) 60 Sphaerocobaltite CoCO3
5.486(16.14) 200 5.744(15.41) 200 11.022(8.01) 160 Gianellaite Hg4(SO4)N2
5.488(16.14) 200 6.390(13.85) 120 8.120(10.89) 100 Nickenichite Na0,8Ca0,4(Mg,Fe+++,Al)3Cu0,4(AsO4)3
5.488(16.14) 200 7.774(11.37) 158 3.884(22.88) 114 Latrappite (Ca,Na)(Nb,Ti,Fe)O3
5.490(16.13) 200 7.774(11.37) 160 3.166(28.16) 140 Lafossaite Tl(Cl,Br)
5.490(16.13) 200 7.900(11.19) 120 6.240(14.18) 110 Bobtraillite (Na,Ca)13Sr11(Zr,Y,Nb)14Si42B6O132(OH)12·12H2O
5.492(16.13) 200 3.174(28.09) 100 3.884(22.88) 80 Loparite-(Ce) (Ce,Na,Ca)2(Ti,Nb)2O6
5.492(16.13) 200 6.860(12.89) 64 27.600(3.20) 50 Arctite Na2Ca4(PO4)3F
5.492(16.13) 200 5.536(16.00) 200 4.922(18.01) 160 Imiterite Ag2HgS2
5.496(16.11) 200 2.886(30.96) 70 2.950(30.27) 66 Paranatisite Na2[TiO(SiO4)]
5.498(16.11) 200 6.690(13.22) 180 11.140(7.93) 70 Lorenzenite Na2Ti2Si2O9
5.498(16.11) 200 5.628(15.73) 188 4.782(18.54) 170 Fetiasite (Fe++,Fe+++,Ti++++)3O2(As+++2O5)
5.498(16.11) 200 7.160(12.35) 200 9.600(9.20) 180 Edingtonite BaAl2Si3O10·4(H2O)
5.500(16.10) 200 5.680(15.59) 190 4.560(19.45) 80 Ellestadite-(Cl) Ca5(SiO4,PO4,SO4)3(Cl,OH,F)
5.500(16.10) 200 6.640(13.32) 200 6.060(14.61) 180 Denisovite (K,Na)Ca2Si3O8(F,OH)
5.500(16.10) 200 7.200(12.28) 160 6.780(13.05) 140 Rathite Pb8Pb4-x(Tl2As2)x(Ag2As2)As16S40
5.500(16.10) 200 5.032(17.61) 160 8.740(10.11) 120 Henritermierite Ca3(Mn,Al)2(SiO4)2(OH)4
5.500(16.10) 200 5.940(14.90) 100 7.200(12.28) 100 Leucophanite (Na,Ca)2BeSi2(O,OH,F)7
5.500(16.10) 200 6.900(12.82) 200 6.000(14.75) 140 Marrite PbAgAsS3
5.500(16.10) 200 3.454(25.77) 180 3.742(23.76) 180 IMA2000-016 (Ti,Fe,Mg,Mn)1-xTi2O5
5.500(16.10) 200 3.300(27.00) 140 3.420(26.03) 140 Berzeliite (Ca,Na)3(Mg,Mn)2(AsO4)3
5.500(16.10) 200 6.680(13.24) 160 5.700(15.53) 140 Sarcolite NaCa6Al4Si6O24F (?)
5.500(16.10) 200 4.920(18.01) 120 3.320(26.83) 110 Cattierite CoS2
5.500(16.10) 200 6.500(13.61) 160 8.120(10.89) 100 Johillerite Na(Mg,Zn)3Cu(AsO4)3
5.500(16.10) 200 4.000(22.21) 60 5.960(14.85) 60 Griphite Ca(Mn,Na,Li)6Fe++Al2(PO4)6(F,OH)2
5.500(16.10) 200 4.940(17.94) 180 3.640(24.43) 140 Alloclasite (Co,Fe)AsS
5.500(16.10) 200 5.740(15.42) 160 6.240(14.18) 140 Babingtonite Ca2(Fe++,Mn)Fe+++Si5O14(OH)
5.500(16.10) 200 7.100(12.46) 100 3.406(26.14) 90 Smithsonite ZnCO3
5.504(16.09) 200 5.186(17.08) 160 3.242(27.49) 120 Vesuvianite Ca10Mg2Al4(SiO4)5(Si2O7)2(OH)4
5.504(16.09) 200 5.894(15.02) 180 7.040(12.56) 180 Sartorite PbAs2S4
5.505(16.09) 200 5.453(16.24) 196 6.396(13.83) 136 Dingdaohengite-(Ce) (Ce,La)4Fe++(Ti,Fe++,Mg,Fe+++)2Ti2Si4O22
5.506(16.08) 200 5.820(15.21) 160 6.030(14.68) 160 Wicksite NaCa2(Fe++,Mn++)4MgFe+++(PO4)6·2(H2O)
5.506(16.08) 200 5.920(14.95) 200 7.388(11.97) 200 Chladniite Na2Ca(Mg,Fe++)7(PO4)6
5.508(16.08) 200 5.088(17.42) 140 3.452(25.79) 110 Ilmenite Fe++TiO3
5.512(16.07) 200 6.640(13.32) 180 6.860(12.89) 140 Molybdomenite PbSeO3
5.518(16.05) 200 5.940(14.90) 78 7.202(12.28) 74 Meliphanite (Ca,Na)2Be[(Si,Al)2O6(F,OH)]
5.520(16.04) 200 4.560(19.45) 160 4.760(18.63) 160 Tucekite Ni9Sb2S8
5.520(16.04) 200 7.522(11.76) 180 3.982(22.31) 140 IMA2003-019 Na6Sr12Ba2Zr13Si39B4O123(OH)6 ·20(H2O)
5.520(16.04) 200 7.800(11.33) 170 3.900(22.78) 140 Lueshite NaNbO3
5.520(16.04) 200 5.540(15.98) 200 3.904(22.76) 100 Tausonite SrTiO3

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