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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Elements

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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
3.860(23.02) 200 5.840(15.16) 120 16.240(5.44) 120 Bultfonteinite Ca2SiO2(OH,F)4
3.862(23.01) 200 6.306(14.03) 188 3.294(27.05) 70 Fluorite CaF2
3.864(23.00) 200 5.832(15.18) 120 3.367(26.45) 90 Jaipurite CoS
3.866(22.99) 200 4.750(18.67) 180 3.714(23.94) 160 Roxbyite Cu1.78S
3.874(22.94) 200 6.420(13.78) 200 4.020(22.09) 180 Huanghoite-(Ce) BaCe(CO3)2F
3.874(22.94) 200 6.360(13.91) 120 5.480(16.16) 100 Bornite Cu5FeS4
3.880(22.90) 200 8.172(10.82) 102 4.872(18.19) 78 Stalderite TlCu(Zn,Fe,Hg)2As2S6
3.880(22.90) 200 3.440(25.88) 120 5.840(15.16) 80 Geversite Pt(Sb,Bi)2
3.882(22.89) 200 5.494(16.12) 190 7.766(11.38) 120 Cryolite Na3AlF6
3.884(22.88) 200 5.260(16.84) 200 5.060(17.51) 160 Oenite CoSbAs
3.890(22.84) 200 4.800(18.47) 200 6.040(14.65) 200 Chvilevaite Na(Cu,Fe,Zn)2S2
3.896(22.81) 200 5.560(15.93) 200 6.860(12.89) 150 Bastnasite-(Y) Y(CO3)F
3.904(22.76) 200 6.360(13.91) 200 3.342(26.65) 100 Mgriite (Cu,Fe)3AsSe3
3.910(22.72) 200 2.500(35.89) 160 3.470(25.65) 160 Mayingite IrBiTe
3.911(22.72) 200 5.684(15.58) 162 3.223(27.65) 46 Vavrinite Ni2SbTe2
3.912(22.71) 200 6.208(14.26) 136 5.518(16.05) 106 Pizgrischite (Cu,Fe)Cu14PbBi17S35
3.912(22.71) 200 5.484(16.15) 200 5.376(16.48) 160 Chrisstanleyite Ag2Pd3Se4
3.920(22.66) 200 6.380(13.87) 190 3.342(26.65) 160 Eskebornite CuFeSe2
3.920(22.66) 200 4.420(20.07) 160 8.580(10.30) 160 Cryolithionite Na3Li3Al2F12
3.920(22.66) 200 5.540(15.98) 130 6.400(13.83) 114 Anilite Cu7S4
3.930(22.61) 200 6.116(14.47) 200 6.480(13.65) 200 Fergusonite-beta-(Ce) (Ce,La,Nd)NbO4
3.936(22.57) 200 2.780(32.17) 164 4.780(18.55) 100 Magnesiostaurolite [ ]4Mg4Al16(Al,[ ])2Si8O40[O6,(OH)2]
3.946(22.51) 200 5.580(15.87) 80 6.420(13.78) 80 Digenite Cu9S5
3.952(22.48) 200 2.594(34.55) 120 4.174(21.27) 120 Hexaferrum (Fe,Os,Ru,Ir)
3.964(22.41) 200 5.834(15.17) 180 5.692(15.56) 120 Larosite (Cu,Ag)21(Pb,Bi)2S13
3.976(22.34) 200 5.300(16.71) 200 4.380(20.26) 140 Majakite PdNiAs
3.978(22.33) 200 4.220(21.03) 80 4.500(19.71) 40 Algodonite Cu6As
3.980(22.32) 200 5.400(16.40) 160 5.920(14.95) 160 Insizwaite Pt(Bi,Sb)2
3.980(22.32) 200 4.870(18.20) 200 2.840(31.47) 120 Surinamite (Mg,Fe++)3Al4BeSi3O16
4.000(22.21) 200 3.840(23.14) 160 3.880(22.90) 160 Xifengite Fe5Si3
4.000(22.21) 200 6.760(13.09) 200 6.800(13.01) 200 Ardaite Pb19Sb13S35Cl7
4.002(22.19) 200 4.088(21.72) 180 4.178(21.25) 160 Koutekite Cu5As2
4.006(22.17) 200 5.940(14.90) 200 3.556(25.02) 160 Michenerite (Pd,Pt)BiTe
4.010(22.15) 200 2.320(38.78) 60 2.820(31.70) 20 Suessite (Fe,Ni)3Si
4.010(22.15) 200 3.812(23.32) 120 3.632(24.49) 40 Melliniite (Ni,Fe)4P
4.012(22.14) 200 4.724(18.77) 200 8.464(10.44) 200 Khaidarkanite Na0.34Cu4Al3(OH)14F3·2(H2O)
4.020(22.09) 200 4.120(21.55) 140 4.760(18.63) 130 Cohenite (Fe,Ni,Co)3C
4.020(22.09) 200 4.640(19.11) 180 2.848(31.38) 100 Griceite LiF
4.020(22.09) 200 5.582(15.86) 100 5.016(17.67) 80 Sheldrickite NaCa3(CO3)2F3·(H2O)
4.020(22.09) 200 5.960(14.85) 150 6.660(13.28) 140 Aurostibite AuSb2
4.034(22.02) 200 6.220(14.23) 200 5.572(15.89) 160 Bariosincosite Ba(V++++O)2(PO4)2·4(H2O)
4.040(21.98) 200 5.700(15.53) 200 6.080(14.56) 200 Marianoite Na2Ca4(Nb,Zr)2(Si2O7)2(O,F)4
4.040(21.98) 200 6.640(13.32) 180 3.452(25.79) 160 Berzelianite Cu2Se
4.040(21.98) 200 4.180(21.24) 200 4.700(18.87) 200 Calcioancylite-(Ce) CaCe(CO3)2(OH)·(H2O)
4.040(21.98) 200 5.620(15.76) 140 6.220(14.23) 140 Korzhinskite CaB2O4·(H2O)
4.040(21.98)
-
4.700(18.87)
-
5.660(15.64)
-
Tertschite Ca4B10O19·20(H2O)
4.046(21.95) 200 5.726(15.46) 200 7.060(12.53) 100 Mummeite Cu0.58Ag3.11Pb1.10Bi6.65S13
4.054(21.91) 200 2.340(38.44) 60 2.866(31.18) 40 Iron Fe
4.060(21.87) 200 5.700(15.53) 200 7.080(12.49) 160 Thorbastnasite Th(Ca,Ce)(CO3)2F2·3(H2O)
4.060(21.87) 200 3.934(22.58) 120 2.870(31.14) 60 Kamacite alpha-(Fe,Ni)
4.060(21.87) 200 5.720(15.48) 140 7.040(12.56) 120 Vulcanite CuTe
4.068(21.83) 200 3.524(25.25) 84 2.492(36.01) 42 Nickel Ni
4.076(21.79) 200 3.722(23.89) 100 2.436(36.87) 48 Brownleeite MnSi
4.078(21.78) 200 2.354(38.20) 60 1.824(49.96) 40 Chromium Cr
4.080(21.76) 200 2.340(38.44) 180 1.540(60.02) 160 Ferchromide Cr3Fe1-x(x=0,6)
4.080(21.76) 200 10.200(8.66) 200 20.200(4.37) 120 Uranocircite Ba(UO2)2(PO4)2·12(H2O)
4.088(21.72) 200 3.944(22.52) 134 4.516(19.64) 88 Mavlyanovite Mn5Si3
4.092(21.70) 200 4.660(19.03) 100 2.432(36.93) 80 IMA2008-055 (Ni,Fe,Ir)
4.100(21.66) 200 6.180(14.32) 200 6.940(12.74) 200 Sulfoborite Mg3B2(SO4)(OH)8(OH,F)2
4.100(21.66) 200 4.340(20.45) 100 4.760(18.63) 60 Isovite (Cr,Fe)23C6
4.100(21.66) 200 3.776(23.54) 140 3.930(22.61) 100 Domeykite Cu3As
4.100(21.66) 200 2.694(33.23) 160 4.380(20.26) 140 Jedwabite Fe7(Ta,Nb)3
4.112(21.59) 200 4.686(18.92) 80 4.284(20.72) 70 Ruthenium (Ru,Ir,Os)
4.114(21.58) 200 5.270(16.81) 180 5.932(14.92) 180 Pyrrhotite Fe(1-x)S (x=0-0.17)
4.116(21.57) 200 6.088(14.54) 140 5.440(16.28) 100 Boracite Mg3B7O13Cl
4.120(21.55) 200 2.522(35.57) 50 2.151(41.97) 32 Diamond C
4.120(21.55) 200 3.440(25.88) 150 5.280(16.78) 150 Heideite (Fe,Cr)1+x(Ti,Fe)2S4
4.120(21.55) 200 6.760(13.09) 160 3.526(25.24) 140 Bellidoite Cu2Se
4.120(21.55) 200 7.520(11.76) 160 4.658(19.04) 120 Aerugite ([ ],Ni)9(AsO4)2(AsO6) (?)
4.120(21.55) 200 8.720(10.14) 200 6.080(14.56) 200 Zemkorite (Na,K)2Ca(CO3)2
4.120(21.55) 200 4.380(20.26) 200 2.520(35.60) 150 Lonsdaleite C
4.120(21.55) 200 3.560(24.99) 60 2.520(35.60) 40 Awaruite Ni2Fe to Ni3Fe
4.122(21.54) 200 5.392(16.43) 140 4.248(20.89) 100 Ruthenarsenite (Ru,Ni)As
4.122(21.54) 200 4.674(18.97) 182 4.378(20.27) 122 Bromellite BeO
4.130(21.50) 200 6.006(14.74) 180 6.652(13.30) 180 Itoite Pb3[GeO2(OH)2](SO4)2
4.136(21.47) 200 2.926(30.53) 160 4.788(18.52) 160 Carlsbergite CrN
4.140(21.45) 200 6.680(13.24) 160 5.700(15.53) 160 Vurroite Pb20Sn2(Bi,As)22S54Cl6
4.140(21.45) 200 5.120(17.31) 100 5.640(15.70) 80 Cuprostibite Cu2(Sb,Tl)
4.140(21.45) 200 6.720(13.16) 120 3.976(22.34) 80 Rickardite Cu7Te5
4.140(21.45) 200 6.380(13.87) 200 7.000(12.64) 200 Banalsite BaNa2Al4Si4O16
4.144(21.42) 200 3.586(24.81) 170 3.608(24.65) 166 Sugakiite Cu(Fe,Ni)8S8
4.152(21.38) 200 5.716(15.49) 140 9.700(9.11) 130 Shomiokite-(Y) Na3Y(CO3)3·3(H2O)
4.156(21.36) 200 4.518(19.63) 200 5.404(16.39) 180 Kutinaite Cu14Ag6As7
4.160(21.34) 200 2.160(41.78) 160 3.600(24.71) 160 Taenite gamma-(Fe,Ni)
4.161(21.34) 200 2.746(32.58) 80 4.315(20.57) 80 Danbaite CuZn2
4.170(21.29) 200 5.104(17.36) 180 3.202(27.84) 160 Corundum Al2O3
4.176(21.26) 200 3.616(24.60) 92 2.556(35.08) 40 Copper Cu
4.176(21.26) 200 4.820(18.39) 182 2.952(30.25) 114 Bunsenite NiO
4.178(21.25) 200 2.402(37.41) 160 2.088(43.30) 120 Zhanghengite (Cu,Zn,Fe,Al,Cr)
4.180(21.24) 200 5.860(15.11) 160 5.960(14.85) 160 Montbrayite (Au,Sb)2Te3
4.180(21.24) 200 4.020(22.09) 140 7.220(12.25) 140 Weissite Cu1.9Te
4.180(21.24) 200 5.320(16.65) 120 3.440(25.88) 100 Troilite FeS
4.182(21.23) 200 4.946(17.92) 106 4.616(19.21) 80 Zinc Zn
4.192(21.18) 200 3.330(26.75) 160 12.220(7.23) 160 Edgarite FeNb2S6
4.196(21.16) 200 4.432(20.02) 52 4.764(18.61) 48 Hexamolybdenum (Mo,Ru,Fe,Ir,Os)
4.200(21.14) 200 4.306(20.61) 160 3.630(24.50) 140 Tongxinite Cu2Zn
4.210(21.08) 200 4.452(19.93) 68 4.776(18.56) 64 Rhenium Re
4.212(21.07) 200 2.978(29.98) 104 2.432(36.93) 24 Periclase MgO
4.230(20.98) 200 4.710(18.83) 160 2.702(33.13) 100 Stillwaterite Pd8As3
4.232(20.97) 80 4.650(19.07) 80 8.746(10.11) 80 Tischendorfite Pd8Hg3Se9

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