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
5.240(16.91) 200 5.820(15.21) 200 7.760(11.39) 120 Kleinite Hg2N(Cl,SO4)·n(H2O)
5.242(16.90) 200 4.780(18.55) 140 3.534(25.18) 120 Willyamite (Co,Ni)SbS
5.244(16.89) 200 3.750(23.71) 120 3.918(22.68) 120 Danielsite (Cu,Ag)14HgS8
5.246(16.89) 200 6.580(13.45) 180 7.220(12.25) 180 Hydrocerussite Pb3(CO3)2(OH)2
5.246(16.89) 200 6.072(14.58) 180 4.286(20.71) 160 Remondite-(La) Na3(La,Ce,Ca)3(CO3)5
5.248(16.88) 200 5.604(15.80) 190 5.224(16.96) 180 Lindqvistite Pb2(Mn++,Mg)Fe+++16027
5.248(16.88) 200 3.100(28.77) 160 5.452(16.24) 140 Lawsonite CaAl2Si2O7(OH)2·(H2O)
5.250(16.87) 200 5.358(16.53) 180 7.468(11.84) 180 Brianite Na2CaMg(PO4)2
5.252(16.87) 200 6.302(14.04) 180 7.538(11.73) 180 Nickelaustinite Ca(Ni,Zn)(AsO4)(OH)
5.252(16.87) 200 6.040(14.65) 172 6.400(13.83) 134 Panasqueiraite CaMg(PO4)(OH,F)
5.256(16.85) 200 5.782(15.31) 160 3.890(22.84) 94 Tuite Ca3(PO4)2
5.256(16.85) 200 9.800(9.02) 148 3.854(23.06) 84 Portlandite Ca(OH)2
5.258(16.85) 200 5.576(15.88) 180 3.442(25.86) 140 IMA2009-011 Ba3Na(Fe++,Mn)8Ti4(Si2O7)4O4(OH,F)7
5.260(16.84) 200 3.780(23.52) 120 5.640(15.70) 120 Hellandite-(Y) (Ca,REE)4(Y,Ce)2(Al,[ ])2[Si4B4O22](OH)2
5.260(16.84) 200 7.460(11.85) 180 10.580(8.35) 160 Spertiniite Cu(OH)2
5.260(16.84) 200 9.620(9.19) 200 11.700(7.55) 180 Libethenite Cu2(PO4)(OH)
5.260(16.84) 200 8.100(10.91) 180 13.260(6.66) 180 Povondraite (Na,K)(Fe+++,Fe++)3(Fe,Mg,Al)6(BO3)3Si6O18(OH)4
5.260(16.84) 200 6.240(14.18) 200 7.240(12.21) 200 Garavellite FeSbBiS4
5.260(16.84) 200 3.706(23.99) 140 6.660(13.28) 120 Imandrite Na12Ca3Fe+++2Si12O36
5.260(16.84) 200 3.244(27.47) 180 5.560(15.93) 180 Yimengite K(Cr,Ti,Fe,Mg)12O19
5.260(16.84) 200 5.540(15.98) 200 3.240(27.51) 140 Magnetoplumbite Pb(Fe+++,Mn+++)12O19
5.260(16.84) 200 6.040(14.65) 200 6.380(13.87) 200 Isokite CaMg(PO4)F
5.260(16.84) 200 6.460(13.70) 166 9.120(9.69) 114 IMA2009-020 Li4Na12(Y,Na,Ca,REE)12(PO4)12(CO3)4(F,OH)8
5.260(16.84) 200 7.360(12.01) 200 7.600(11.63) 180 Loseyite (Mn,Zn)7(CO3)2(OH)10
5.262(16.84) 200 3.932(22.59) 180 3.540(25.14) 160 Langisite (Co,Ni)As
5.262(16.84) 200 5.598(15.82) 160 2.956(30.21) 140 Batiferrite Ba(Ti2Fe+++8Fe++2)O19
5.268(16.82) 200 5.668(15.62) 190 6.972(12.69) 160 Willemite Zn2SiO4
5.270(16.81) 200 7.930(11.15) 200 7.588(11.65) 180 Lithiophosphate Li3PO4
5.274(16.80) 200 4.344(20.43) 180 6.260(14.14) 140 Oxykinoshitalite (Ba,K)(Mg,Fe++,Ti)3(Si,Al)4O10O2
5.274(16.80) 200 5.602(15.81) 200 6.342(13.95) 200 Austinite CaZn(AsO4)(OH)
5.278(16.78) 200 6.082(14.55) 160 10.560(8.37) 140 Burbankite (Na,Ca)3(Sr,Ba,Ce)3(CO3)5
5.278(16.78) 200 6.060(14.61) 160 4.236(20.95) 120 Kornerupine (Mg,Fe++)4Al6(SiO4,BO4)5(O,OH)2
5.278(16.78) 200 3.256(27.37) 140 5.582(15.86) 140 Parsettensite (K,Na,Ca)(Mn,Al)7Si8O20(OH)8·2(H2O) (?)
5.280(16.78) 200 5.420(16.34) 190 10.840(8.15) 140 Mitscherlichite K2CuCl4·2(H2O)
5.280(16.78) 200 6.620(13.36) 200 10.560(8.37) 200 Iraqite-(La) K(La,Ce,Th)2(Ca,Na)4(Si,Al)16O40
5.280(16.78) 200 5.878(15.06) 200 22.800(3.87) 200 Raite Na4Mn++4Si8(O,OH)24·9(H2O)
5.280(16.78) 200 7.020(12.60) 200 5.140(17.24) 100 Kupletskite K2Na(Mn,Fe++)7(Ti,Nb)2Si8O26(OH)4F
5.282(16.77) 200 5.590(15.84) 180 3.268(27.27) 94 Haggertyite Ba[Fe++6Ti5Mg]O19
5.284(16.76) 200 7.420(11.92) 140 6.220(14.23) 100 Chlorophoenicite (Mn,Mg)3Zn2(AsO4)(OH,O)6
5.286(16.76) 200 4.744(18.69) 160 2.840(31.47) 140 Urvantsevite Pd(Bi,Pb)2
5.288(16.75) 200 8.620(10.25) 200 6.760(13.09) 160 Montroseite (V+++,Fe+++,V++++)O(OH)
5.288(16.75) 200 7.220(12.25) 180 7.520(11.76) 180 Tocornalite (Ag,Hg)I (?)
5.290(16.75) 200 7.460(11.85) 160 10.300(8.58) 120 Chukanovite Fe2(CO3)(OH)2
5.294(16.73) 200 6.142(14.41) 160 9.784(9.03) 110 Trona Na3(CO3)(HCO3)·2(H2O)
5.294(16.73) 200 3.694(24.07) 160 5.200(17.04) 160 Oosterboschite (Pd,Cu)7Se3
5.296(16.73) 200 5.938(14.91) 140 4.838(18.32) 120 Peterbaylissite Hg+3(CO3)(OH)·2(H2O)
5.298(16.72) 200 5.574(15.89) 200 6.140(14.41) 180 Hatrurite Ca3SiO5
5.298(16.72) 200 6.108(14.49) 90 6.098(14.51) 80 Nacaphite Na(Na,Ca)2(PO4)F
5.300(16.71) 200 7.380(11.98) 180 5.800(15.26) 160 Clerite MnSb2S4
5.300(16.71) 200 4.320(20.54) 180 5.000(17.72) 120 Borishanskiite Pd1+x(As,Pb)2, x = 0-0.2
5.300(16.71) 200 6.120(14.46) 120 6.140(14.41) 120 Arzakite Hg3S2(Br,Cl)2
5.300(16.71) 200 3.826(23.23) 110 9.940(8.89) 60 Tadzhikite-(Y) Ca4(Y,Ce)2(Ti,Al,Fe+++,[ ])2[Si4B4O22](OH)2
5.300(16.71) 200 6.040(14.65) 120 7.900(11.19) 120 Grechishchevite Hg3S2(Br,Cl,I)2
5.300(16.71) 200 3.160(28.22) 180 5.920(14.95) 160 Grossular Ca3Al2(SiO4)3
5.300(16.71) 200 3.906(22.75) 180 3.132(28.47) 120 Xieite FeCr2O4
5.300(16.71) 200 3.820(23.27) 97 5.800(15.26) 90 Piergorite-(Ce) Ca8Ce2(Al0.5 Fe+++0.5)([ ],Li,Be)2Si6B8O36(OH,F)2
5.300(16.71) 200 4.320(20.54) 180 4.500(19.71) 100 Polarite Pd(Bi,Pb)
5.300(16.71) 200 3.826(23.23) 110 9.940(8.89) 60 Tadzhikite-(Ce) Ca4(Ce,Y)2(Ti,Al,Fe+++,[ ])2[Si4B4O22](OH)2
5.300(16.71) 100 5.480(16.16) 80 9.280(9.52) 60 Bayankhanite Cu6HgS4
5.300(16.71) 200 3.440(25.88) 80 4.220(21.03) 80 Bafertisite Ba(Fe++,Mn)2TiSi2O7(O,OH)2
5.300(16.71) 200 5.560(15.93) 100 14.380(6.14) 100 Brownmillerite Ca2(Al,Fe+++)2O5
5.302(16.71) 200 4.352(20.39) 80 4.362(20.34) 80 Ferrokinoshitalite (Ba,K)(Fe++,Mg)3(Si2Al2)O10 (OH,F)2
5.302(16.71) 200 8.760(10.09) 120 9.930(8.90) 120 Manganostibite (Mn++,Fe++)7(SbO4)(AsO4,SiO4)O4
5.302(16.71) 200 6.540(13.53) 184 5.160(17.17) 182 Kapustinite Na5.5Mn0.25ZrSi6O16(OH)2
5.304(16.70) 200 5.270(16.81) 146 5.710(15.51) 112 Hellandite-(Ce) (Ca3REE)4Ce2Al[ ]2[Si4 B4O22](OH)2
5.308(16.69) 200 5.934(14.92) 170 6.292(14.06) 170 IMA2002-034 CdSO4·4(H2O)
5.310(16.68) 200 16.120(5.48) 160 6.600(13.40) 120 Wattersite Hg+4Hg++Cr++++++O6
5.310(16.68) 200 5.998(14.76) 200 6.606(13.39) 180 Strakhovite NaBa3(Mn++,Mn+++)4Si6O19(OH)3
5.310(16.68) 200 5.724(15.47) 112 6.958(12.71) 80 Okayamalite Ca2B2SiO7
5.312(16.68) 200 6.220(14.23) 200 10.600(8.33) 200 Berborite Be2(BO3)(OH,F)·(H2O)
5.314(16.67) 200 5.214(16.99) 160 6.608(13.39) 140 Combeite Na2Ca2Si3O9
5.314(16.67) 200 4.892(18.12) 160 15.127(5.84) 160 Zinalsite Zn2AlSi2O5(OH)4·2(H2O) (?)
5.316(16.66) 200 5.556(15.94) 200 5.774(15.33) 168 Barentsite Na7AlH2(CO3)4F4
5.320(16.65) 200 6.640(13.32) 200 5.140(17.24) 160 Bradleyite Na3Mg(PO4)(CO3)
5.320(16.65) 200 6.280(14.09) 200 8.240(10.73) 200 Garronite Na2Ca5Al12Si20O64·27(H2O)
5.320(16.65) 200 5.600(15.81) 140 3.880(22.90) 80 Nagelschmidtite Ca7(SiO4)3(PO4)2
5.320(16.65) 200 5.220(16.97) 150 6.580(13.45) 80 Gregoryite (Na2,K2,Ca)CO3
5.320(16.65) 200 6.160(14.37) 124 4.380(20.26) 110 Khanneshite (NaCa)3(Ba,Sr,Ce,Ca)3(CO3)5
5.320(16.65) 200 3.922(22.65) 180 3.622(24.56) 160 Nickeline NiAs
5.320(16.65) 200 3.560(24.99) 80 4.820(18.39) 80 Ullmannite NiSbS
5.324(16.64) 200 4.070(21.82) 160 4.580(19.36) 160 Fischesserite Ag3AuSe2
5.324(16.64) 200 5.354(16.54) 200 4.836(18.33) 190 Arsenopyrite FeAsS
5.324(16.64) 200 8.772(10.08) 200 9.466(9.34) 200 Flinkite Mn++2Mn+++(AsO4)(OH)4
5.324(16.64) 200 5.672(15.61) 180 3.144(28.36) 100 Tomichite (V,Fe)4Ti3AsO13(OH)
5.324(16.64) 200 3.690(24.10) 140 3.304(26.96) 120 Manganarsite Mn++3As+++204(OH)4
5.326(16.63) 200 5.460(16.22) 200 4.518(19.63) 160 Bredigite Ca7Mg(SiO4)4
5.326(16.63) 200 3.374(26.39) 160 6.360(13.91) 160 Zenzenite Pb3(Fe+++,Mn+++)4Mn++++3O15
5.328(16.62) 200 4.258(20.84) 170 4.244(20.91) 32 Nanpingite Cs(Al,Mg,Fe++,Li)2(Si3Al)O10(OH,F)2
5.328(16.62) 200 7.274(12.16) 120 7.524(11.75) 120 Capgaronnite HgAg(Cl,Br,I)S
5.328(16.62) 200 5.170(17.14) 140 10.700(8.26) 140 Hulsite (Fe++,Mg)2(Fe+++,Sn)O2(BO3)
5.330(16.62) 200 5.822(15.21) 200 3.119(28.60) 146 IMA2009-010 [Ba6(PO4)2(CO3)][Fe++7(OH)4Fe+++2O2(SiO3)8]
5.332(16.61) 200 3.080(28.97) 100 5.802(15.26) 80 Rondorfite Ca8Mg(SiO4)4Cl2
5.332(16.61) 200 8.516(10.38) 150 10.112(8.74) 132 Juangodoyite Na2Cu(CO3)2
5.332(16.61) 200 5.172(17.13) 80 7.274(12.16) 80 Monticellite CaMgSiO4
5.332(16.61) 200 6.114(14.48) 190 12.640(6.99) 190 Oxammite (NH4)2(C2O4)·(H2O)
5.334(16.61) 200 5.964(14.84) 156 4.870(18.20) 84 IMA2009-026 (Mn++,Ca)3(V+++,Al)2(SiO4)3
5.338(16.59) 200 6.428(13.76) 106 10.666(8.28) 74 Ellisite Tl3AsS3
5.338(16.59) 200 5.756(15.38) 160 11.360(7.78) 140 Comancheite Hg13(Cl,Br)8O9
5.338(16.59) 200 7.820(11.31) 120 3.576(24.88) 100 Jarosewichite Mn++3Mn+++(AsO4)(OH)6
5.340(16.59) 200 5.280(16.78) 180 13.420(6.58) 120 Natrofairchildite Na2Ca(CO3)2

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