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 413 Records, Sorted by D1 using 1.54056 - CuKa1 for 2θ WHERE (d1 > 5.97898 AND d1 < 6.22302)
D1
Å (2θ)
I1
%)
D2
Å (2θ)
I2
(%)
D3
Å (2θ)
I3
(%)
Mineral Formula
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 3.800(23.39) 100 2.960(30.17) 80 Uranopolycrase (U,Y)(Ti,Nb,Ta)2O6
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 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 5.380(16.46) 80 3.600(24.71) 60 Romarchite SnO
5.980(14.80) 200 7.380(11.98) 180 4.820(18.39) 140 Tantalite-(Mn) MnTa2O6
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 3.500(25.43) 180 4.942(17.93) 160 Ferrorhodsite (Fe,Cu)(Rh,Ir,Pt)2S4
5.980(14.80) 200 5.400(16.40) 40 13.160(6.71) 40 Walstromite BaCa2Si3O9
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
5.980(14.80) 200 4.592(19.31) 190 5.926(14.94) 188 Georgbokiite Cu5O2(SeO3)2Cl2
5.980(14.80) 200 3.472(25.64) 120 4.280(20.74) 80 Kashinite (Ir,Rh)2S3
5.980(14.80) 200 4.186(21.21) 180 4.700(18.87) 180 Liveingite Pb9As13S28
5.980(14.80) 200 4.180(21.24) 180 5.820(15.21) 140 Calaverite AuTe2
5.980(14.80) 200 6.180(14.32) 200 6.800(13.01) 200 Epididymite NaBeSi3O7(OH)
5.982(14.80) 200 7.390(11.97) 70 3.472(25.64) 28 Columbite-(Mn) (Mn,Fe++)(Nb,Ta)2O6
5.982(14.80) 200 5.056(17.53) 80 5.786(15.30) 60 Diopside CaMgSi2O6
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 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
5.986(14.79) 200 13.004(6.79) 138 8.490(10.41) 108 Ussingite Na2AlSi3O8(OH)
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 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 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 6.346(13.94) 140 7.004(12.63) 140 Stibivanite Sb+++2V++++O5
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)
5.994(14.77) 200 3.136(28.44) 180 3.676(24.19) 180 Bismutomicrolite (Bi,Ca)(Ta,Nb)2O6(OH)
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 6.380(13.87) 180 5.760(15.37) 160 Arsenpolybasite [Ag9CuS4] [(Ag,Cu)6(As,Sb)2S7]
6.000(14.75) 200 9.960(8.87) 200 8.120(10.89) 160 Spiroffite (Mn,Zn)2Te3O8
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 5.640(15.70) 120 6.280(14.09) 60 Xanthoconite Ag3AsS3
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 6.540(13.53) 200 5.560(15.93) 180 Arsenbrackebuschite Pb2(Fe++,Zn)(AsO4)2·(H2O)
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 7.560(11.70) 110 4.144(21.42) 70 Selenium Se
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 6.520(13.57) 120 5.880(15.05) 110 Jagowerite BaAl2(PO4)2(OH)2
6.000(14.75) 200 3.662(24.29) 120 3.126(28.53) 60 Tetrahedrite (Cu,Fe)12Sb4S13
6.000(14.75) 200 4.820(18.39) 140 13.400(6.59) 140 Liebauite Ca3Cu5Si9O26
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 3.700(24.03) 150 13.440(6.57) 200 Cavoite CaV3O7
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) 180 4.854(18.26) 100 5.040(17.58) 100 Kurilite (Ag,Au)2(Te,Se,S)
6.000(14.75) 200 5.052(17.54) 140 5.920(14.95) 120 Esseneite CaFe+++AlSiO6
6.000(14.75) 200 5.080(17.44) 180 3.440(25.88) 160 Blakeite Fe2(TeO3)3
6.000(14.75) 200 10.680(8.27) 120 7.240(12.21) 110 Teschemacherite (NH4)HCO3
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 5.914(14.97) 194 7.324(12.07) 106 Heftetjernite ScTaO4
6.002(14.75) 200 8.520(10.37) 174 6.666(13.27) 172 Anglesite PbSO4
6.004(14.74) 200 11.506(7.68) 160 7.032(12.58) 140 Gorceixite BaAl3(PO4)(PO3OH)(OH)6
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
6.008(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 5.614(15.77) 170 12.000(7.36) 140 Bassanite 2CaSO4·(H2O)
6.012(14.72) 200 7.010(12.62) 200 12.400(7.12) 200 Grumantite NaHSi2O5·(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 3.666(24.26) 140 5.200(17.04) 140 Bismutostibiconite Bi(Sb+++++,Fe+++)2O7
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 3.688(24.11) 180 3.146(28.35) 160 Tantite Ta2O5
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 5.168(17.14) 110 7.660(11.54) 100 Titantaramellite Ba4(Ti,Fe+++,Fe++,Mg)4(B2Si8O27)O2Clx X=0 TO 1, with Ti > Fe
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 5.508(16.08) 120 6.340(13.96) 120 Mazzettiite Ag3HgPbSbTe5
6.020(14.70) 200 5.960(14.85) 180 12.620(7.00) 160 Baylissite K2Mg(CO3)2·4(H2O)
6.020(14.70) 200 5.420(16.34) 160 3.576(24.88) 60 Maslovite PtBiTe
6.020(14.70) 200 4.200(21.14) 120 3.542(25.12) 40 Cherepanovite RhAs
6.020(14.70) 200 3.700(24.03) 50 5.220(16.97) 36 Bindheimite Pb2Sb2O6(O,OH)
6.020(14.70) 200 5.826(15.20) 180 6.380(13.87) 180 Lithiomarsturite LiCa2Mn2HSi5O15
6.020(14.70) 200 5.700(15.53) 120 5.780(15.32) 120 Niocalite Ca14Nb2(Si2O7)4O6F2
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 6.280(14.09) 180 12.060(7.32) 160 Stibiomicrolite (Sb,Ca,Na)2(Ta,Nb)2(O,OH)7
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 3.940(22.55) 150 4.380(20.26) 140 Strontiochevkinite (Sr,REE)4Fe(Ti,Zr)2Ti2Si4O22
6.022(14.70) 200 6.744(13.12) 154 5.500(16.10) 124 Brendelite (Bi,Pb)2Fe(PO4)(O,OH)3
6.022(14.70) 200 20.300(4.35) 176 6.638(13.33) 150 Cerchiaraite Ba4(Mn,Fe,Al)4Si6(O,OH,Cl)26
6.022(14.70) 200 4.912(18.04) 160 5.094(17.39) 160 Nchwaningite Mn++2SiO3(OH)2·(H2O)
6.024(14.69) 200 5.930(14.93) 160 7.890(11.21) 120 Perroudite Hg5Ag4S5(I,Br)2Cl2
6.028(14.68) 200 6.300(14.05) 38 5.568(15.90) 36 Riversideite Ca5Si6O16(OH)2·2(H2O)
6.028(14.68) 200 5.640(15.70) 130 6.038(14.66) 102 Omongwaite Na2Ca5(SO4)6·3H2O
6.030(14.68) 200 11.440(7.72) 190 7.600(11.63) 144 Cobaltomenite CoSeO3·2(H2O)
6.030(14.68) 200 5.312(16.68) 70 7.720(11.45) 70 Norsethite BaMg(CO3)2
6.030(14.68) 200 6.468(13.68) 200 6.676(13.25) 200 Olsacherite Pb2(SeO4)(SO4)
6.030(14.68) 200 3.692(24.08) 118 3.148(28.33) 94 Fluornatromicrolite (Na,Ca,Bi)2Ta2O6F

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