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 212 Records Sorted by D1 using 1.54056 - CuKa1 for 2θ WHERE (d1 > 3.43 AND d1 < 3.57)
D1
Å (2θ)
I1
%)
D2
Å (2θ)
I2
(%)
D3
Å (2θ)
I3
(%)
Mineral Formula
3.431(25.95) 100 3.335(26.71) 80 6.670(13.26) 60 Vlodavetsite AlCa2(SO4)2F2Cl•4(H2O)
3.440(25.88) 100 2.820(31.70) 100 2.910(30.70) 100 Franckeite (Pb,Sn)6Fe++Sn2Sb2S14
3.440(25.88) 100 2.660(33.67) 90 2.490(36.04) 90 Nolanite (V+++,Fe++,Fe+++,Ti)10O14(OH)2
3.440(25.88) 100 3.030(29.45) 100 3.780(23.52) 90 Marialite Na4Al3Si9O24Cl
3.440(25.88) 100 24.100(3.66) 100 8.040(11.00) 100 Bornemanite BaNa3{(Na,Ti)4[(Ti,Nb)2O2Si4O14](F,OH)2}•PO4
3.440(25.88) 100 8.040(11.00) 100 24.100(3.66) 100 Bornemanite BaNa3{(Na,Ti)4[(Ti,Nb)2O2Si4O14](F,OH)2}•PO4
3.440(25.88) 100 3.850(23.08) 90 4.080(21.76) 50 Farringtonite Mg3(PO4)2
3.440(25.88) 100 3.380(26.35) 90 4.130(21.50) 60 Sorbyite Pb19(Sb,As)20S49
3.440(25.88) 100 3.120(28.59) 40 2.520(35.60) 35 Szomolnokite Fe++SO4•(H2O)
3.440(25.88) 100 2.810(31.82) 30 3.370(26.43) 25 Cosalite Pb2Bi2S5
3.440(25.88) 100 2.677(33.45) 95 2.753(32.50) 75 Bismoclite BiOCl
3.440(25.88) 100 2.570(34.88) 80 3.150(28.31) 80 Jinshajiangite Na2K5BaCa(Fe,Mn)8(Ti,Fe,Nb,Zr)4Si8O32(O,F,H2O)6
3.440(25.88) 100 2.560(35.02) 80 4.520(19.62) 70 Xenotime-(Yb) YbPO4
3.440(25.88) 100 2.490(36.04) 90 2.660(33.67) 90 Nolanite (V+++,Fe++,Fe+++,Ti)10O14(OH)2
3.440(25.88) 100 3.150(28.31) 80 2.570(34.88) 80 Jinshajiangite Na2K5BaCa(Fe,Mn)8(Ti,Fe,Nb,Zr)4Si8O32(O,F,H2O)6
3.441(25.87) 100 3.428(25.97) 100 3.206(27.80) 80 Chervetite Pb2V2O7
3.441(25.87) 100 3.507(25.38) 100 4.020(22.09) 100 Nalipoite NaLi2PO4
3.441(25.87) 100 1.870(48.65) 25 4.442(19.97) 13 Virgilite LixAlxSi3-xO6
3.441(25.87) 100 4.020(22.09) 100 3.507(25.38) 100 Nalipoite NaLi2PO4
3.442(25.86) 100 4.060(21.87) 31 4.360(20.35) 20 Alarsite AlAsO4
3.442(25.86) 100 3.101(28.77) 97 2.120(42.61) 80 Barite BaSO4
3.444(25.85) 100 3.505(25.39) 52 2.390(37.60) 49 Mereiterite K2Fe++(SO4)2•4(H2O)
3.445(25.84) 100 1.867(48.73) 100 1.970(46.03) 90 Calciborite CaB2O4
3.445(25.84) 100 2.222(40.57) 80 3.653(24.35) 70 Yaroslavite Ca3Al2F10(OH)2•(H2O)
3.445(25.84) 100 4.360(20.35) 19 2.362(38.07) 14 Rodolicoite Fe+++PO4
3.450(25.80) 100 4.170(21.29) 80 2.920(30.59) 80 Launayite Pb22Sb26S61
3.450(25.80) 100 2.750(32.53) 100 3.000(29.76) 70 Marrite PbAgAsS3
3.450(25.80) 100 1.828(49.84) 40 1.985(45.67) 30 Zinkenite Pb9Sb22S42
3.450(25.80) 100 7.250(12.20) 85 2.890(30.92) 85 Vayrynenite MnBe(PO4)(OH,F)
3.450(25.80) 100 6.920(12.78) 80 8.880(9.95) 80 Dachiardite-Na (Na2,Ca,K2)4Al4Si20O48•13(H2O)
3.450(25.80) 100 8.890(9.94) 90 3.210(27.77) 90 Epistilbite CaAl2Si6O16•5(H2O)
3.450(25.80) 100 3.530(25.21) 80 2.940(30.38) 80 Hyalotekite (Ba,Pb,Ca,K)6(B,Si,Al)2(Si,Be)10O28(F,Cl)
3.450(25.80) 100 2.560(35.02) 50 1.768(51.66) 50 Xenotime-(Y) YPO4
3.450(25.80) 100 5.450(16.25) 90 3.060(29.16) 80 Teineite CuTeO3•2(H2O)
3.450(25.80) 100 3.070(29.06) 40 3.820(23.27) 20 Silvialite (Ca,Na)4Al6Si6O24(SO4,CO3)
3.450(25.80) 100 3.210(27.77) 90 8.890(9.94) 90 Epistilbite CaAl2Si6O16•5(H2O)
3.450(25.80) 100 2.920(30.59) 80 4.170(21.29) 80 Launayite Pb22Sb26S61
3.450(25.80) 100 8.880(9.95) 80 6.920(12.78) 80 Dachiardite-Na (Na2,Ca,K2)4Al4Si20O48•13(H2O)
3.450(25.80) 100 2.890(30.92) 85 7.250(12.20) 85 Vayrynenite MnBe(PO4)(OH,F)
3.450(25.80) 100 2.829(31.60) 40 4.100(21.66) 30 Benavidesite Pb4(Mn,Fe)Sb6S14
3.450(25.80) 100 2.800(31.94) 40 1.828(49.84) 30 Zinkenite Pb9Sb22S42
3.450(25.80) 100 1.961(46.26) 50 3.030(29.45) 40 Galenobismutite PbBi2S4
3.450(25.80) 100 7.100(12.46) 93 3.100(28.77) 67 Nickelzippeite Ni++2(UO2)6(SO4)3(OH)10•16(H2O)
3.450(25.80) 100 5.560(15.93) 83 11.290(7.82) 63 Chloromenite Cu9O2(SeO3)4Cl6
3.450(25.80) 100 3.260(27.33) 90 3.050(29.26) 80 Manaksite KNaMn++Si4O10
3.450(25.80) 100 1.768(51.66) 50 2.560(35.02) 50 Xenotime-(Y) YPO4
3.450(25.80) 100 2.940(30.38) 80 3.530(25.21) 80 Hyalotekite (Ba,Pb,Ca,K)6(B,Si,Al)2(Si,Be)10O28(F,Cl)
3.453(25.78) 100 3.193(27.92) 100 3.643(24.41) 90 Jorgensenite Na2(Sr,Ba)14Na2Al12F64(OH,F)
3.454(25.77) 100 2.592(34.58) 70 2.074(43.60) 40 Surkhobite KBa3Ca2Na2(Mn, Fe++,Fe+++)16Ti8(Si2O7)8O8(OH)4 (F,O,OH)8
3.456(25.76) 100 2.118(42.65) 100 1.804(50.55) 60 Cameronite AgCu7Te10
3.457(25.75) 100 4.944(17.93) 100 4.732(18.74) 80 Metadelrioite CaSrV2O6(OH)2•(H2O)
3.457(25.75) 100 2.834(31.54) 99 3.607(24.66) 57 IMA2005-036 Cu8Pb4Ag3Bi19S38
3.460(25.73) 100 3.370(26.43) 100 4.200(21.14) 90 Bikitaite Li2[Al2Si4O12]•2(H2O)
3.460(25.73) 100 3.080(28.97) 50 4.720(18.78) 50 Poitevinite (Cu,Fe++,Zn)SO4•(H2O)
3.460(25.73) 100 4.720(18.78) 50 3.080(28.97) 50 Poitevinite (Cu,Fe++,Zn)SO4•(H2O)
3.460(25.73) 100 3.030(29.45) 70 3.820(23.27) 60 Scapolite (Na,Ca)4[(Al,Si)12O24]Cl
3.460(25.73) 100 2.690(33.28) 90 3.380(26.35) 80 Wenkite Ba4Ca6(Si,Al)20O39(OH)2(SO4)3•n(H2O) (?)
3.460(25.73) 100 3.070(29.06) 70 3.030(29.45) 60 Scapolite (Na,Ca)4[(Al,Si)12O24]Cl
3.464(25.70) 100 3.069(29.07) 70 3.824(23.24) 60 Meionite Ca4Al6Si6O24CO3
3.464(25.70) 100 3.173(28.10) 59 1.731(52.85) 19 Qilianshanite NaH4(CO3)(BO3)•2(H2O)
3.464(25.70) 100 2.849(31.37) 100 3.594(24.75) 90 Pavonite (Ag,Cu)(Bi,Pb)3S5
3.468(25.67) 100 2.948(30.29) 86 2.887(30.95) 76 Morinite NaCa2Al2(PO4)2(F,OH)5•2(H2O)
3.468(25.67) 100 1.958(46.33) 80 2.763(32.38) 25 Armalcolite (Mg,Fe++)Ti2O5
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 3.350(26.59) 100 3.020(29.55) 95 Celsian BaAl2Si2O8
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 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
3.472(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 2.956(30.21) 47 3.458(25.74) 40 Pillaite Pb9Sb10S23ClO0.5
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 2.718(32.93) 85 2.991(29.85) 85 Kogarkoite Na3(SO4)F
3.480(25.58) 100 2.650(33.80) 40 5.800(15.26) 30 Monimolite (Pb,Ca)2Sb2O7
3.480(25.58) 100 2.991(29.85) 85 2.718(32.93) 85 Kogarkoite Na3(SO4)F
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 2.222(40.57) 80 3.720(23.90) 70 Vimsite CaB2O2(OH)4
3.483(25.55) 100 2.748(32.56) 80 4.902(18.08) 45 Pseudobrookite (Fe+++,Fe++)2(Ti,Fe++)O5
3.483(25.55) 100 2.231(40.40) 90 2.896(30.85) 60 Moschelite Hg+2I2
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 2.863(31.22) 100 2.708(33.05) 60 Beusite (Mn++,Fe++,Ca,Mg)3(PO4)2
3.490(25.50) 100 3.220(27.68) 80 1.989(45.57) 60 Treasurite Ag7Pb6Bi15S32
3.490(25.50) 100 2.849(31.37) 35 2.328(38.64) 20 Anhydrite CaSO4
3.490(25.50) 100 2.980(29.96) 100 2.920(30.59) 100 Tvalchrelidzeite Hg3SbAsS3
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 2.560(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 3.135(28.45) 40 4.900(18.09) 35 Szmikite MnSO4•(H2O)

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