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
5.970(14.83) 200 23.944(3.69) 200 7.080(12.49) 120 Tlapallite H6(Ca,Pb)2Cu3(SO4)(Te++++O3)4(Te++++++O6)
5.972(14.82) 200 3.660(24.30) 164 11.940(7.40) 130 Chlorbartonite K6Fe24S26(Cl,S)
5.972(14.82) 200 6.200(14.27) 200 3.822(23.25) 100 Gotzenite (Ca,Na)3(Ti,Al)Si2O7(F,OH)2
5.974(14.82) 200 8.690(10.17) 162 5.722(15.47) 140 Rastsvetaevite Na27K8Ca12Fe3Zr6Si52O144(O,OH,H2O)6Cl2
5.974(14.82) 200 7.300(12.11) 164 5.880(15.05) 100 Lithiowodginite LiTa3O8
5.974(14.82) 200 8.780(10.07) 200 5.700(15.53) 158 Aqualite (H3O)8(Na,K,Sr)5Ca6Zr3Si26O66(OH)9Cl
5.976(14.81) 200 6.136(14.42) 170 6.768(13.07) 120 Vanadinite Pb5(VO4)3Cl
5.976(14.81) 200 6.808(12.99) 172 3.746(23.73) 110 Paratellurite TeO2
5.976(14.81) 200 8.260(10.70) 80 8.640(10.23) 80 Mattheddleite Pb20(SiO4)7(SO4)4Cl4
5.978(14.81) 200 3.122(28.57) 80 3.660(24.30) 80 Stibiobetafite (Sb+++,Ca)2(Ti,Nb,Ta)2(O,OH)7
5.978(14.81) 200 8.100(10.91) 100 9.620(9.19) 100 Carbocernaite (Ca,Na)(Sr,Ce,Ba)(CO3)2
5.978(14.81) 200 6.068(14.59) 182 10.194(8.67) 160 Margarosanite Pb(Ca,Mn++)2Si3O9
5.978(14.81) 200 8.292(10.66) 200 4.990(17.76) 180 Routhierite TlCu(Hg,Zn)2(As,Sb)2S3
5.980(14.80) 200 4.226(21.00) 140 4.882(18.16) 100 Londonite CsAl4Be4(B,Be)12O28
5.980(14.80) 200 7.380(11.98) 180 4.820(18.39) 140 Tantalite-(Mn) MnTa2O6
5.980(14.80) 200 5.400(16.40) 40 13.160(6.71) 40 Walstromite BaCa2Si3O9
5.980(14.80) 200 7.100(12.46) 180 3.538(25.15) 120 Arsenocrandallite (Ca,Sr)Al3[(As,P)O4]2(OH)5·(H2O)
5.980(14.80) 200 6.160(14.37) 180 6.480(13.65) 140 Trigonite Pb3Mn(As+++O3)2(As+++O2OH)
5.980(14.80) 200 4.186(21.21) 180 4.700(18.87) 180 Liveingite Pb9As13S28
5.980(14.80) 200 4.592(19.31) 190 5.926(14.94) 188 Georgbokiite Cu5O2(SeO3)2Cl2
5.980(14.80) 200 6.440(13.74) 160 6.700(13.20) 120 Roselite Ca2(Co,Mg)(AsO4)2·2(H2O)
5.980(14.80) 200 3.500(25.43) 180 4.942(17.93) 160 Ferrorhodsite (Fe,Cu)(Rh,Ir,Pt)2S4
5.980(14.80) 200 4.180(21.24) 180 5.820(15.21) 140 Calaverite AuTe2
5.980(14.80) 200 3.472(25.64) 120 4.280(20.74) 80 Kashinite (Ir,Rh)2S3
5.980(14.80) 200 5.900(15.00) 80 7.320(12.08) 80 Euxenite-(Y) (Y,Ca,Ce)(Nb,Ta,Ti)2O6
5.980(14.80) 200 6.180(14.32) 200 6.800(13.01) 200 Epididymite NaBeSi3O7(OH)
5.980(14.80) 200 5.380(16.46) 80 3.600(24.71) 60 Romarchite SnO
5.980(14.80) 200 3.800(23.39) 100 2.960(30.17) 80 Uranopolycrase (U,Y)(Ti,Nb,Ta)2O6
5.980(14.80) 200 3.598(24.72) 180 11.080(7.97) 160 Rasvumite KFe2S3
5.980(14.80) 200 6.940(12.74) 140 7.460(11.85) 140 Livingstonite HgSb4S8
5.982(14.80) 200 5.056(17.53) 80 5.786(15.30) 60 Diopside CaMgSi2O6
5.982(14.80) 200 7.390(11.97) 70 3.472(25.64) 28 Columbite-(Mn) (Mn,Fe++)(Nb,Ta)2O6
5.984(14.79) 200 8.464(10.44) 170 5.540(15.98) 160 Galkhaite (Cs,Tl)(Hg,Cu,Zn)6(As,Sb)4S12
5.986(14.79) 200 13.004(6.79) 138 8.490(10.41) 108 Ussingite Na2AlSi3O8(OH)
5.986(14.79) 200 5.270(16.81) 140 5.034(17.60) 120 Vuagnatite CaAlSiO4(OH)
5.986(14.79) 200 5.900(15.00) 140 15.400(5.73) 100 Vicanite-(Ce) (Ca,Ce,La,Th)15As+++++(As+++0.5,Na0.5)Fe+++Si6B4O40F7
5.988(14.78) 200 6.836(12.94) 176 6.960(12.71) 128 Marrucciite Hg3Pb16Sb18S46
5.988(14.78) 200 5.532(16.01) 160 6.452(13.71) 120 Wendwilsonite Ca2(Mg,Co)(AsO4)2·2(H2O)
5.990(14.78) 200 6.860(12.89) 140 3.428(25.97) 120 Bukovite Tl2Cu3FeSe4
5.992(14.77) 200 5.908(14.98) 190 9.680(9.13) 130 Hubnerite MnWO4
5.992(14.77) 200 5.070(17.48) 94 5.162(17.16) 84 Grossmanite CaTi+++AlSiO6
5.992(14.77) 200 28.580(3.09) 200 12.780(6.91)
-
Lintisite Na3LiTi2Si4O14·2(H2O)
5.992(14.77) 200 16.800(5.26) 200 10.400(8.50) 120 Francevillite (Ba,Pb)(UO2)2V2O8·5(H2O)
5.992(14.77) 200 6.346(13.94) 140 7.004(12.63) 140 Stibivanite Sb+++2V++++O5
5.994(14.77) 200 3.136(28.44) 180 3.676(24.19) 180 Bismutomicrolite (Bi,Ca)(Ta,Nb)2O6(OH)
5.994(14.77) 200 5.906(14.99) 190 5.648(15.68) 180 Bario-orthojoaquinite Fe++2(Ba,Sr)4Ti2[Si4O12]O2·(H2O)
5.996(14.76) 200 11.980(7.37) 154 3.666(24.26) 80 Bartonite K3Fe10S14
5.998(14.76) 200 6.504(13.60) 182 6.566(13.47) 178 Zincgartrellite Pb(Zn,Fe,Cu)2(AsO4)2(OH,H2O)2
5.998(14.76) 200 3.666(24.26) 80 3.188(27.96) 40 Watanabeite Cu4(As,Sb)2S5
6.000(14.75) 200 10.680(8.27) 120 7.240(12.21) 110 Teschemacherite (NH4)HCO3
6.000(14.75) 200 5.680(15.59) 180 6.220(14.23) 100 Pearceite [Ag9CuS4] [(Ag,Cu)6(As,Sb)2S7]
6.000(14.75) 200 3.676(24.19) 120 3.136(28.44) 100 Pyrochlore (Na,Ca)2Nb2O6(OH,F)
6.000(14.75) 200 6.440(13.74) 160 10.200(8.66) 120 Zincroselite Ca2Zn(AsO4)2·2(H2O)
6.000(14.75) 200 5.900(15.00) 140 7.340(12.05) 140 Wodginite Mn++(Sn,Ta)(Ta,Nb)2O8
6.000(14.75) 200 5.640(15.70) 120 6.280(14.09) 60 Xanthoconite Ag3AsS3
6.000(14.75) 200 4.820(18.39) 140 13.400(6.59) 140 Liebauite Ca3Cu5Si9O26
6.000(14.75) 200 6.380(13.87) 180 5.760(15.37) 160 Arsenpolybasite [Ag9CuS4] [(Ag,Cu)6(As,Sb)2S7]
6.000(14.75) 200 5.080(17.44) 180 3.440(25.88) 160 Blakeite Fe2(TeO3)3
6.000(14.75) 180 4.854(18.26) 100 5.040(17.58) 100 Kurilite (Ag,Au)2(Te,Se,S)
6.000(14.75) 200 5.914(14.97) 194 7.324(12.07) 106 Heftetjernite ScTaO4
6.000(14.75) 200 6.540(13.53) 200 5.560(15.93) 180 Arsenbrackebuschite Pb2(Fe++,Zn)(AsO4)2·(H2O)
6.000(14.75) 200 6.520(13.57) 120 5.880(15.05) 110 Jagowerite BaAl2(PO4)2(OH)2
6.000(14.75) 200 11.500(7.68) 140 7.040(12.56) 120 Osarizawaite PbCuAl2(SO4)2(OH)6
6.000(14.75) 200 3.662(24.29) 120 3.126(28.53) 60 Tetrahedrite (Cu,Fe)12Sb4S13
6.000(14.75) 200 3.700(24.03) 150 13.440(6.57) 200 Cavoite CaV3O7
6.000(14.75) 200 9.960(8.87) 200 8.120(10.89) 160 Spiroffite (Mn,Zn)2Te3O8
6.000(14.75) 200 6.380(13.87) 180 5.760(15.37) 160 Polybasite [Ag9CuS4] [(Ag,Cu)6(Sb,As)2S7]
6.000(14.75) 200 5.680(15.59) 180 6.220(14.23) 100 Antimonpearceite [Ag9CuS4] [(Ag,Cu)6(Sb,As)2S7]
6.000(14.75) 200 5.052(17.54) 140 5.920(14.95) 120 Esseneite CaFe+++AlSiO6
6.000(14.75) 200 7.560(11.70) 110 4.144(21.42) 70 Selenium Se
6.002(14.75) 200 8.520(10.37) 174 6.666(13.27) 172 Anglesite PbSO4
6.004(14.74) 200 4.912(18.04) 188 4.874(18.19) 172 Zincolivenite CuZn(AsO4)(OH)
6.004(14.74) 200 3.212(27.75) 190 4.516(19.64) 140 Gramaccioliite-(Y) (Pb,Sr)(Y,Mn)Fe2(Ti,Fe)18O38
6.004(14.74) 200 11.506(7.68) 160 7.032(12.58) 140 Gorceixite BaAl3(PO4)(PO3OH)(OH)6
6.008(14.73) 200 5.322(16.64) 160 6.576(13.45) 74 Strontiowhitlockite Sr7(Mg,Ca)3(PO4)6[PO3(OH)]
6.010(14.73) 200 16.380(5.39) 200 8.200(10.78) 160 Curienite Pb(UO2)2V2O8·5(H2O)
6.010(14.73) 200 6.190(14.30) 170 5.790(15.29) 130 Tilleyite Ca5Si2O7(CO3)2
6.012(14.72) 200 6.534(13.54) 142 6.084(14.55) 132 Tiragalloite Mn++4As+++++Si3O12(OH)
6.012(14.72) 200 7.010(12.62) 200 12.400(7.12) 200 Grumantite NaHSi2O5·(H2O)
6.012(14.72) 200 5.614(15.77) 170 12.000(7.36) 140 Bassanite 2CaSO4·(H2O)
6.014(14.72) 200 5.420(16.34) 140 10.200(8.66) 120 Panethite (Na,Ca,K)2(Mg,Fe++,Mn)2(PO4)2
6.016(14.71) 200 11.440(7.72) 180 6.746(13.11) 120 Deanesmithite Hg+2Hg++3Cr++++++O5S2
6.018(14.71) 200 28.980(3.05) 180 9.630(9.18) 160 Kukisvumite Na6ZnTi4Si8O28·4(H2O)
6.018(14.71) 200 5.862(15.10) 138 5.940(14.90) 72 Nioboaeschynite-(Y) [(Y,REE),Ca,Th,Fe](Nb,Ti,Ta)2(O,OH)6
6.019(14.71) 200 5.369(16.50) 140 6.385(13.86) 82 Arrojadite-(SrFe) SrFe++Na2Ca(Fe++,Mn,Mg)13Al(PO4)11(PO3OH)(OH,F)2
6.020(14.70) 200 6.482(13.65) 140 6.746(13.11) 110 Brandtite Ca2(Mn,Mg)(AsO4)2·2(H2O)
6.020(14.70) 200 5.508(16.08) 120 6.340(13.96) 120 Mazzettiite Ag3HgPbSbTe5
6.020(14.70) 200 5.826(15.20) 180 6.380(13.87) 180 Lithiomarsturite LiCa2Mn2HSi5O15
6.020(14.70) 200 11.600(7.61) 160 7.080(12.49) 140 Weilerite BaAl3H[(As,P)O4]2(OH)6
6.020(14.70) 200 3.680(24.16) 160 3.150(28.31) 120 Uranpyrochlore (U,Ca,Ce)2(Nb,Ta)2O6(OH,F)
6.020(14.70) 200 5.700(15.53) 120 5.780(15.32) 120 Niocalite Ca14Nb2(Si2O7)4O6F2
6.020(14.70) 200 3.688(24.11) 180 3.146(28.35) 160 Tantite Ta2O5
6.020(14.70) 200 3.666(24.26) 140 5.200(17.04) 140 Bismutostibiconite Bi(Sb+++++,Fe+++)2O7
6.020(14.70) 200 3.700(24.03) 50 5.220(16.97) 36 Bindheimite Pb2Sb2O6(O,OH)
6.020(14.70) 200 5.168(17.14) 110 7.660(11.54) 100 Taramellite Ba4(Fe+++,Ti,Fe++,Mg)4(B2Si8O27)O2Clx (x=0 to 1)
6.020(14.70) 200 3.940(22.55) 150 4.380(20.26) 140 Strontiochevkinite (Sr,REE)4Fe(Ti,Zr)2Ti2Si4O22
6.020(14.70) 200 6.362(13.91) 102 5.356(16.54) 84 Arrojadite-(BaFe) (Ba,K,Pb)Na3(Ca,Sr)(Fe++,Mg,Mn)14Al(PO4)11(PO3OH)(OH,F)2
6.020(14.70) 200 6.320(14.00) 140 5.634(15.72) 80 Gorgeyite K2Ca5(SO4)6·(H2O)
6.020(14.70) 200 4.200(21.14) 120 3.542(25.12) 40 Cherepanovite RhAs
6.020(14.70) 200 5.168(17.14) 110 7.660(11.54) 100 Titantaramellite Ba4(Ti,Fe+++,Fe++,Mg)4(B2Si8O27)O2Clx X=0 TO 1, with Ti > Fe

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