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 190 Records Sorted by D1 using 1.54056 - CuKa1 for 2θ WHERE (d1 > 3.4643 AND d1 < 3.6057)
D1
Å (2θ)
I1
%)
D2
Å (2θ)
I2
(%)
D3
Å (2θ)
I3
(%)
Mineral Formula
3.468(25.67) 100 1.958(46.33) 80 2.763(32.38) 25 Armalcolite (Mg,Fe++)Ti2O5
3.468(25.67) 100 2.948(30.29) 86 2.887(30.95) 76 Morinite NaCa2Al2(PO4)2(F,OH)5•2(H2O)
3.470(25.65) 100 2.604(34.41) 80 7.400(11.95) 60 Vyuntspakhkite-(Y) (Y,Yb,Er)4Al2AlSi5O18(OH)5
3.470(25.65) 100 2.890(30.92) 80 2.800(31.94) 70 Berryite Cu3Ag2Pb3Bi7S16
3.470(25.65) 100 4.660(19.03) 100 2.640(33.93) 70 Coffinite U(SiO4)1-x(OH)4x
3.470(25.65) 100 6.920(12.78) 78 1.983(45.72) 63 Paraspurrite Ca5(SiO4)2(CO3)
3.470(25.65) 100 3.090(28.87) 100 2.050(44.14) 100 Sulfoborite Mg3B2(SO4)(OH)8(OH,F)2
3.470(25.65) 100 3.350(26.59) 100 3.020(29.55) 95 Celsian BaAl2Si2O8
3.472(25.64) 100 2.956(30.21) 54 2.052(44.10) 46 Scainiite Pb14Sb30S54O5
3.474(25.62) 100 10.430(8.47) 42 2.606(34.38) 40 Perraultite (Na,Ca)2(Ba,K)2(Mn++,Fe++)8(Ti,Nb)4Si8O32(OH,F,O)6
3.477(25.60) 100 5.190(17.07) 90 2.800(31.94) 50 Horvathite-(Y) NaY(CO3)F2
3.478(25.59) 100 2.842(31.45) 94 3.646(24.39) 57 Cupromakovickyite Cu4AgPb2Bi9S18
3.480(25.58) 100 7.300(12.11) 90 6.900(12.82) 90 Creedite Ca3Al2(SO4)(F,OH)10•2(H2O)
3.480(25.58) 100 2.991(29.85) 85 2.718(32.93) 85 Kogarkoite Na3(SO4)F
3.480(25.58) 100 6.900(12.82) 90 7.300(12.11) 90 Creedite Ca3Al2(SO4)(F,OH)10•2(H2O)
3.480(25.58) 100 4.560(19.45) 70 3.690(24.10) 60 Carlhintzeite Ca2AlF7•(H2O)
3.480(25.58) 100 2.222(40.57) 80 3.720(23.90) 70 Vimsite CaB2O2(OH)4
3.480(25.58) 100 2.650(33.80) 40 5.800(15.26) 30 Monimolite (Pb,Ca)2Sb2O7
3.480(25.58) 100 2.718(32.93) 85 2.991(29.85) 85 Kogarkoite Na3(SO4)F
3.480(25.58) 100 2.956(30.21) 47 3.458(25.74) 40 Pillaite Pb9Sb10S23ClO0.5
3.483(25.55) 100 2.231(40.40) 90 2.896(30.85) 60 Moschelite Hg+2I2
3.483(25.55) 100 2.748(32.56) 80 4.902(18.08) 45 Pseudobrookite (Fe+++,Fe++)2(Ti,Fe++)O5
3.486(25.53) 100 10.449(8.46) 50 1.831(49.76) 50 Straczekite (Ca,K,Ba)(V5+,V4+)8O20•3H2O
3.486(25.53) 100 1.831(49.76) 50 10.449(8.46) 50 Straczekite (Ca,K,Ba)(V5+,V4+)8O20•3H2O
3.487(25.52) 100 2.626(34.11) 68 1.798(50.73) 61 IMA2008-035 CeSiO4
3.488(25.52) 100 2.648(33.82) 35 2.109(42.84) 22 Rosiaite PbSb+++++2O6
3.490(25.50) 100 2.680(33.41) 90 2.560(35.02) 90 Tungstite WO3•(H2O)
3.490(25.50) 100 3.280(27.16) 100 3.600(24.71) 100 Iranite Pb10Cu(CrO4)6(SiO4)2(F,OH)2
3.490(25.50) 100 2.863(31.22) 100 2.708(33.05) 60 Beusite (Mn++,Fe++,Ca,Mg)3(PO4)2
3.490(25.50) 100 2.980(29.96) 100 2.920(30.59) 100 Tvalchrelidzeite Hg3SbAsS3
3.490(25.50) 100 2.849(31.37) 35 2.328(38.64) 20 Anhydrite CaSO4
3.490(25.50) 100 3.220(27.68) 80 1.989(45.57) 60 Treasurite Ag7Pb6Bi15S32
3.490(25.50) 100 2.560(35.02) 90 2.680(33.41) 90 Tungstite WO3•(H2O)
3.493(25.48) 100 2.139(42.21) 55 1.824(49.96) 30 Marshite CuI
3.493(25.48) 100 2.832(31.57) 100 4.150(21.39) 90 Parapierrotite Tl(Sb,As)5S8
3.495(25.46) 100 3.319(26.84) 100 7.120(12.42) 100 Rameauite K2CaU++++++6O20•9(H2O)
3.498(25.44) 100 7.208(12.27) 70 2.507(35.79) 50 Luetheite Cu2Al2(AsO4)2(OH)4•(H2O)
3.498(25.44) 100 9.780(9.03) 46 9.600(9.20) 38 Nepskoeite Mg4Cl(OH)7•6(H2O)
3.499(25.43) 100 2.702(33.13) 100 4.644(19.10) 55 Pucherite BiVO4
3.499(25.43) 100 3.135(28.45) 40 4.900(18.09) 35 Szmikite MnSO4•(H2O)
3.500(25.43) 100 2.340(38.44) 50 2.850(31.36) 50 Koenenite Na4Mg4Cl12•Mg5Al4(OH)22
3.500(25.43) 100 2.773(32.26) 90 2.961(30.16) 80 Hydroromarchite Sn3O2(OH)2
3.500(25.43) 100 2.800(31.94) 70 2.660(33.67) 50 Zircophyllite K2(Na,Ca)(Mn,Fe++)7(Zr,Nb)2Si8O26(OH)4F
3.500(25.43) 100 4.150(21.39) 55 2.670(33.54) 40 Lindgrenite Cu3(MoO4)2(OH)2
3.500(25.43) 100 3.030(29.45) 80 2.610(34.33) 60 Yoderite Mg2(Al,Fe+++)6Si4O18(OH)2
3.500(25.43) 100 4.810(18.43) 100 4.300(20.64) 100 Halotrichite Fe++Al2(SO4)4•22(H2O)
3.500(25.43) 100 2.030(44.60) 90 2.490(36.04) 90 Olekminskite Sr(Sr,Ca,Ba)(CO3)2
3.500(25.43) 100 4.300(20.64) 100 4.810(18.43) 100 Halotrichite Fe++Al2(SO4)4•22(H2O)
3.500(25.43) 100 2.850(31.36) 50 2.340(38.44) 50 Koenenite Na4Mg4Cl12•Mg5Al4(OH)22
3.500(25.43) 100 2.490(36.04) 90 2.030(44.60) 90 Olekminskite Sr(Sr,Ca,Ba)(CO3)2
3.500(25.43) 100 4.760(18.63) 85 4.580(19.36) 65 Mendozite NaAl(SO4)2•11(H2O)
3.500(25.43) 100 10.560(8.37) 100 2.780(32.17) 80 Nalivkinite Li2NaFe++7Ti2Si8O24(OH)4F
3.500(25.43) 100 2.800(31.94) 100 1.856(49.04) 100 Plattnerite PbO2
3.500(25.43) 100 3.190(27.95) 100 2.070(43.69) 100 Banalsite BaNa2Al4Si4O16
3.500(25.43)
-
2.889(30.93)
-
2.865(31.19)
-
Vanadoandrosite-(Ce) (Mn++,Ca)(REE)V+++AlMn++(Si2O7)(SiO4)O(OH)
3.502(25.41) 100 2.033(44.53) 40 5.820(15.21) 35 Millosevichite (Al,Fe+++)2(SO4)3
3.503(25.41) 100 2.516(35.66) 19 4.633(19.14) 15 Serrabrancaite MnPO4•(H2O)
3.505(25.39) 100 4.767(18.60) 100 4.706(18.84) 100 Acuminite SrAlF4(OH)•(H2O)
3.505(25.39) 100 4.706(18.84) 100 4.767(18.60) 100 Acuminite SrAlF4(OH)•(H2O)
3.505(25.39) 100 3.006(29.70) 100 6.200(14.27) 100 Grumantite NaHSi2O5•(H2O)
3.505(25.39) 100 6.608(13.39) 78 5.270(16.81) 60 Uklonskovite NaMg(SO4)F•2(H2O)
3.506(25.38) 100 10.520(8.40) 90 2.778(32.20) 80 Niobophyllite K2Na(Fe++,Mn)7(Nb,Ti)2Si8O26(OH)4(F,O)
3.507(25.38) 100 3.441(25.87) 100 4.020(22.09) 100 Nalipoite NaLi2PO4
3.510(25.35) 100 2.920(30.59) 90 2.140(42.19) 90 Lillianite Pb3Bi2S6
3.510(25.35) 100 3.022(29.53) 100 2.615(34.26) 90 Davanite K2TiSi6O15
3.510(25.35) 100 2.920(30.59) 100 3.720(23.90) 100 Neyite AgCu3Pb12.5Bi13S34
3.510(25.35) 100 2.640(33.93) 100 2.570(34.88) 50 Kupletskite K2Na(Mn,Fe++)7(Ti,Nb)2Si8O26(OH)4F
3.510(25.35) 100 3.032(29.43) 100 8.790(10.05) 80 Piretite Ca(UO2)3(SeO3)2(OH)4-4(H2O)
3.510(25.35) 100 4.210(21.08) 100 4.850(18.28) 50 Bilinite Fe++Fe+++2(SO4)4•22(H2O)
3.510(25.35) 100 10.550(8.37) 90 2.643(33.89) 80 Hydroastrophyllite (H3O,K)2Ca(Fe+++,Mn)5-6Ti2Si8O26(OH)4F
3.510(25.35) 100 3.282(27.15) 82 3.238(27.52) 71 Stibioclaudetite AsSbO3
3.510(25.35) 100 2.900(30.81) 90 3.470(25.65) 80 Brookite TiO2
3.510(25.35) 100 2.687(33.32) 70 2.780(32.17) 60 Ericssonite BaMn++2Fe+++O[Si2O7](OH)
3.510(25.35) 100 2.344(38.37) 80 2.780(32.17) 70 Twinnite Pb(Sb,As)2S4
3.510(25.35) 100 2.151(41.97) 50 1.835(49.64) 30 Tiemannite HgSe
3.510(25.35) 100 2.140(42.19) 90 2.920(30.59) 90 Lillianite Pb3Bi2S6
3.510(25.35) 100 1.891(48.08) 33 2.379(37.78) 22 Anatase TiO2
3.511(25.35) 100 2.870(31.14) 60 3.103(28.75) 45 Davreuxite MnAl6Si4O17(OH)2
3.512(25.34) 100 3.202(27.84) 78 3.015(29.60) 69 Laffittite AgHgAsS3
3.512(25.34) 100 14.100(6.26) 100 4.710(18.83) 70 Borocookeite Li(1+3x)Al(4-x)(BSi3)O10(OH,F)8 [x = 0-0.33]
3.513(25.33) 100 7.040(12.56) 100 2.514(35.68) 90 Orthochamosite (Fe++,Mg,Fe+++)5Al(Si3Al)O10(OH,O)8
3.515(25.32) 100 4.460(19.89) 43 2.605(34.40) 36 Grossite CaAl4O7
3.516(25.31) 100 3.171(28.12) 80 3.669(24.24) 60 Hashemite Ba(Cr,S)O4
3.516(25.31) 100 2.224(40.53) 70 5.150(17.20) 55 Azurite Cu3(CO3)2(OH)2
3.519(25.29) 100 2.644(33.88) 100 1.811(50.34) 100 Chernovite-(Y) YAsO4
3.520(25.28) 100 3.380(26.35) 100 2.070(43.69) 60 Lausenite Fe+++2(SO4)3•6(H2O)
3.520(25.28) 100 7.690(11.50) 95 3.360(26.51) 80 Hoelite (C6H4)2(CO)2
3.520(25.28) 100 7.060(12.53) 100 1.925(47.17) 70 Amesite Mg2Al(SiAl)O5(OH)4
3.520(25.28) 100 7.050(12.55) 100 2.520(35.60) 90 Chamosite (Fe++,Mg,Fe+++)5Al(Si3Al)O10(OH,O)8
3.520(25.28) 100 6.130(14.44) 80 3.570(24.92) 60 Tugtupite Na4AlBeSi4O12Cl
3.520(25.28) 100 4.820(18.39) 90 3.790(23.45) 35 Apjohnite MnAl2(SO4)4•22(H2O)
3.520(25.28) 100 2.547(35.21) 81 3.945(22.52) 72 Sarcopside (Fe++,Mn,Mg)3(PO4)2
3.520(25.28) 100 2.795(31.99) 90 4.190(21.19) 50 Guettardite Pb(Sb,As)2S4
3.520(25.28) 100 4.330(20.49) 100 4.840(18.31) 40 Dietrichite (Zn,Fe++,Mn)Al2(SO4)4•22(H2O)
3.527(25.23) 100 1.483(62.58) 100 1.057(93.56) 100 Ustarasite Pb(Bi,Sb)6S10
3.527(25.23) 100 3.397(26.21) 71 2.313(38.90) 43 Podlesnoite BaCa2(CO3)2F2
3.528(25.22) 100 2.816(31.75) 100 2.540(35.31) 100 Junitoite CaZn2Si2O7•(H2O)
3.530(25.21) 100 11.100(7.96) 80 5.550(15.96) 50 Kahlerite Fe++(UO2)2(AsO4)2•10-12(H2O)
3.530(25.21) 100 2.917(30.62) 60 2.605(34.40) 50 Susannite Pb4(SO4)(CO3)2(OH)2
3.530(25.21) 100 2.917(30.62) 60 2.605(34.40) 50 Leadhillite Pb4(SO4)(CO3)2(OH)2

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