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
1.554(59.43) 200 1.575(58.56) 200 6.000(14.75) 200 Bowieite (Rh,Ir,Pt)1.77S3
1.558(59.26) 200 4.360(20.35) 200 1.647(55.77) 180 Sudburyite (Pd,Ni)Sb
1.575(58.56) 200 1.725(53.04) 160 1.769(51.63) 140 Rhodium (Rh,Pt)
1.733(52.78) 200 4.244(20.91) 200 1.604(57.40) 140 Skaergaardite CuPd
2.038(44.41) 200 2.162(41.74) 150 3.774(23.55) 126 Nowackiite Cu6Zn3As4S12
2.038(44.41) 200 3.514(25.32) 200 3.820(23.27) 160 Kalininite ZnCr2S4
2.114(42.74) 200 2.966(30.10) 200 7.054(12.54) 200 Ustarasite Pb(Bi,Sb)6S10
2.132(42.36) 200 4.100(21.66) 200 19.260(4.58) 200 Freboldite CoSe
2.178(41.42) 200 3.692(24.08) 200 4.742(18.70) 180 Ferdisilicite FeSi2
2.240(40.23) 200 5.440(16.28) 200 10.880(8.12) 200 Arsenolamprite As
2.284(39.42) 200 2.188(41.23) 160 4.360(20.35) 160 Chengdeite Ir3Fe
2.312(38.92) 200 4.000(22.21) 180 2.006(45.16) 140 Gupeiite Fe3Si
2.320(38.78) 200 4.040(21.98) 200 2.860(31.25) 160 Chromferide Fe3Cr1-x (x=0,6)
2.326(38.68) 200 4.456(19.91) 180 3.864(23.00) 140 Isoferroplatinum (Pt,Pd)3(Fe,Cu)
2.390(37.60) 200 4.480(19.80) 200 1.594(57.79) 180 Tetra-auricupride AuCu
2.392(37.57) 200 3.982(22.31) 200 3.634(24.48) 180 Fersilicite FeSi
2.404(37.38) 200 4.590(19.32) 200 2.816(31.75) 180 Atokite (Pd,Pt)3Sn
2.404(37.38) 200 4.590(19.32) 200 2.816(31.75) 180 Rustenburgite (Pt,Pd)3Sn
2.440(36.80) 200 4.260(20.83) 200 2.700(33.15) 120 Osmium (Os,Ir)
2.598(34.49) 200 4.326(20.51) 200 3.058(29.18) 160 Khamrabaevite (Ti,V,Fe)C
2.612(34.30) 200 9.240(9.56) 200 32.000(2.76) 200 Perlialite K8Tl4Al12Si24O72·20(H2O)
2.662(33.64) 200 6.140(14.41) 200 3.768(23.59) 160 Maikainite Cu20(Fe,Cu)6Mo2Ge6S32
2.669(33.55) 200 4.486(19.77) 180 7.032(12.58) 180 Baotite Ba4(Ti,Nb)8Si4O28Cl
2.750(32.53) 200 6.460(13.70) 200 7.100(12.46) 200 Julienite Na2Co++(SCN)4·8(H2O)
2.758(32.44) 100 3.266(27.28) 100 3.434(25.92) 100 Oxyvanite V3O5
2.772(32.27) 200 5.500(16.10) 200 5.760(15.37) 140 Olkhonskite (Cr+++,V+++)2Ti3O9
2.776(32.22) 200 8.540(10.35) 200 4.380(20.26) 180 Jeremejevite Al6B5O15(F,OH)3
2.780(32.17) 200 4.820(18.39) 200 21.600(4.09) 200 Glucine CaBe4(PO4)2(OH)4·0.5(H2O)
2.782(32.15) 200 4.780(18.55) 174 5.356(16.54) 142 Zincostaurolite [ ]4Zn4Al16(Al,[ ])2Si8O40[O6,(OH)2]
2.800(31.94) 200 2.980(29.96) 200 4.980(17.80) 100 Leadamalgam HgPb2
2.860(31.25) 200 3.240(27.51) 200 5.980(14.80) 200 Augite (Ca,Na)(Mg,Fe,Al,Ti)(Si,Al)2O6
2.866(31.18) 200 3.164(28.18) 200 5.700(15.53) 200 Batisivite (Ti,V,Cr)14Ba[Si2O7]O22
2.880(31.03) 200 4.280(20.74) 200 4.500(19.71) 180 Mathiasite (K,Ca,Sr)(Ti,Cr,Fe,Mg)21O38
2.880(31.03) 180 5.680(15.59) 180 3.380(26.35) 170 Romanite (Fe++,U,Pb)2(Ti,Fe+++)O4
2.900(30.81) 200 4.960(17.87) 200 4.086(21.73) 180 Bityite CaLiAl2(AlBeSi2)O10(OH)2
2.970(30.06) 200 19.540(4.52) 200 6.340(13.96) 200 Brammallite (Na,H3O)(Al,Mg,Fe)2(Si,Al)4O10[(OH)2,(H2O)]
2.972(30.04) 200 4.100(21.66) 200 4.300(20.64) 200 Niggliite PtSn
2.974(30.02) 200 3.186(27.98) 200 5.800(15.26) 180 Shuiskite Ca2(Mg,Al)(Cr,Al)2(SiO4)(Si2O7)(OH)2·(H2O)
2.988(29.88) 200 5.840(15.16) 160 16.600(5.32) 120 Chrysocolla (Cu,Al)2H2Si2O5(OH)4·n(H2O)
2.990(29.86) 200 2.408(37.31) 180 5.660(15.64) 140 Luanheite Ag3Hg
3.006(29.70) 200 5.144(17.22) 200 4.914(18.04) 140 Preiswerkite NaMg2Al3Si2O10(OH)2
3.012(29.63) 200 4.970(17.83) 200 2.966(30.10) 180 Manganoneptunite KNa2Li(Mn,Fe++)2Ti2Si8O24
3.016(29.59) 200 6.040(14.65) 200 3.586(24.81) 140 Calciotantite Ca(Ta,Nb)4O11
3.022(29.53) 200 5.200(17.04) 180 10.400(8.50) 170 Takeuchiite Mg2Mn+++O2(BO3)
3.032(29.43) 200 4.326(20.51) 200 6.380(13.87) 200 Babefphite BaBe(PO4)(F,O)
3.038(29.38) 200 5.200(17.04) 200 9.040(9.78) 160 Chromphyllite (K,Ba)(Cr,Al)2[AlSi3O10](OH,F)2
3.040(29.36) 200 9.120(9.69) 200 30.800(2.87) 200 Nontronite Na0.3Fe+++2(Si,Al)4O10(OH)2·n(H2O)
3.044(29.32) 200 4.820(18.39) 200 6.720(13.16) 180 Shirokshinite K(NaMg2)Si4O10F2
3.060(29.16) 200 9.160(9.65) 200 31.600(2.79) 160 Hectorite Na0,3(Mg,Li)3Si4O10(OH)2
3.060(29.16)
-
5.220(16.97)
-
7.820(11.31)
-
Kurumsakite (Zn,Ni,Cu)8Al8V2Si5O35·27(H2O) (?)
3.078(28.99) 200 3.608(24.65) 200 5.880(15.05) 200 Tazheranite CaTiZr2O8
3.080(28.97) 200 5.160(17.17) 200 5.760(15.37) 120 Majorite Mg3(Fe,Al,Si)2(SiO4)3
3.080(28.97) 200 4.700(18.87) 120 5.320(16.65) 120 Mcgovernite Mn9Mg4Zn2As2Si2O17(OH)14
3.080(28.97) 200 5.340(16.59) 200 30.800(2.87) 200 Sauconite Na0,3Zn3(Si,Al)4O10(OH)2·4(H2O)
3.080(28.97) 200 5.160(17.17) 200 5.760(15.37) 120 Pyrope Mg3Al2(SiO4)3
3.080(28.97) 200 7.180(12.32) 200 8.720(10.14) 200 Neotocite (Mn,Fe++)SiO3·(H2O) (?)
3.088(28.89) 200 5.112(17.33) 200 5.984(14.79) 120 Glagolevite NaMg6[Si3AlO10](OH,O)8·H2O
3.096(28.81) 200 3.626(24.53) 200 5.880(15.05) 200 Lewisite (Ca,Fe++,Na)2(Sb,Ti)2O7
3.100(28.77) 200 5.044(17.57) 200 3.610(24.64) 184 Sabelliite Cu2Zn(As,Sb)O4(OH)3
3.104(28.74) 200 3.636(24.46) 200 5.900(15.00) 200 Uranmicrolite (U,Ca)2(Ta,Nb)2O6(OH)
3.148(28.33) 200 5.240(16.91) 200 5.840(15.16) 180 Calderite (Mn++,Ca)3(Fe+++,Al)2(SiO4)3
3.174(28.09) 200 3.680(24.16) 200 6.080(14.56) 200 Cesstibtantite (Cs,Na)SbTa4O12
3.180(28.04) 200 3.600(24.71) 200 4.260(20.83) 200 Lindsleyite (Ba,Sr)(Ti,Cr,Fe,Mg)21O38
3.212(27.75)
-
5.802(15.26)
-
6.828(12.95)
-
Dessauite (Sr,Pb)(Y,U)(Ti,Fe+++)20O38
3.218(27.70) 200 6.318(14.01) 200 5.266(16.82) 160 Cobaltaustinite CaCo(AsO4)(OH)
3.220(27.68) 200 5.040(17.58) 200 5.900(15.00) 200 Maghemite gamma-Fe+++2O3
3.236(27.54) 200 3.746(23.73) 200 5.290(16.75) 200 Zavaritskite BiOF
3.240(27.51) 200 4.280(20.74) 200 5.900(15.00) 200 Bismutite Bi2(CO3)O2
3.240(27.51) 200 5.420(16.34) 200 6.060(14.61) 160 Hibschite Ca3Al2(SiO4)3-x(OH)4x(x=0.2-1.5)
3.250(27.42) 200 4.280(20.74) 200 4.204(21.12) 120 Pseudosinhalite Mg2Al3B2O9(OH)
3.258(27.35) 200 5.318(16.66) 200 10.600(8.33) 200 Murdochite PbCu6O8-x(Cl,Br)2x
3.266(27.28) 200 5.418(16.35) 170 4.846(18.29) 130 Pyrite FeS2
3.270(27.25) 200 8.000(11.05) 196 4.660(19.03) 138 Nsutite (Mn++++1-x)(Mn++x)(O2-2x)(OH2x) where x = 0.06-0.07
3.270(27.25) 200 6.622(13.36) 200 14.800(5.97) 200 Akaganeite Fe+++(O,OH,Cl)
3.280(27.16) 200 2.780(32.17) 190 5.680(15.59) 170 Simpsonite Al4(Ta,Nb)3O13(OH)
3.300(27.00)
-
4.300(20.64)
-
4.900(18.09)
-
Akhtenskite Mn++++O2
3.334(26.72) 200 5.078(17.45) 180 5.580(15.87) 160 Kimzeyite Ca3(Zr,Ti)2(Si,Al,Fe+++)3O12
3.340(26.67) 200 5.340(16.59) 194 7.260(12.18) 192 Eskolaite Cr2O3
3.340(26.67) 200 2.840(31.47) 120 4.320(20.54) 120 Kleberite FeTi6O13·4(H2O) (?)
3.344(26.63) 200 3.800(23.39) 200 4.880(18.16) 200 Malyshevite PdCuBiS3
3.348(26.60) 200 4.720(18.78) 180 5.700(15.53) 180 Polydymite NiNi2S4
3.354(26.55) 200 5.128(17.28) 186 6.280(14.09) 182 IMA2009-029 Ca3Zr2(Fe+++2Si)O12
3.360(26.51) 200 5.180(17.10) 200 5.540(15.98) 160 Cobaltite CoAsS
3.360(26.51) 200 3.660(24.30) 120 5.740(15.42) 100 Fletcherite Cu(Ni,Co)2S4
3.360(26.51) 200 5.580(15.87) 192 3.940(22.55) 104 Bravoite (Fe,Ni,Co)S2
3.366(26.46) 200 5.160(17.17) 200 5.640(15.70) 180 Yafsoanite Ca3Te2Zn3O12
3.372(26.41) 200 4.962(17.86) 160 4.366(20.32) 140 Pseudorutile Fe+++2Ti3O9
3.376(26.38) 200 3.022(29.53) 120 5.346(16.57) 120 Schallerite Mn++16[As+++O2OH][Si12O30](OH)14
3.380(26.35) 200 3.400(26.19) 200 2.870(31.14) 180 Davidite-(Ce) (Ce,La)(Y,U)(Ti,Fe+++)20O38
3.380(26.35) 200 6.420(13.78) 160 4.960(17.87) 120 Belyankinite Ca1-2(Ti,Zr,Nb)5O12·9(H2O) (?)
3.384(26.31) 80 4.960(17.87) 60 6.420(13.78) 40 Manganbelyankinite (Mn,Ca)(Ti,Nb)5O12·9(H2O)
3.388(26.28) 200 6.516(13.58) 160 5.970(14.83) 140 Yttrobetafite-(Y) (Y,U,Ce)2(Ti,Nb,Ta)2O6(OH)
3.390(26.27) 200 6.500(13.61) 160 5.620(15.76) 140 Laurite RuS2
3.407(26.13) 200 5.158(17.18) 180 5.414(16.36) 176 Tistarite Ti2O3
3.414(26.08) 200 6.560(13.49) 200 5.040(17.58) 180 Struverite (Ti,Ta,Fe+++)O2
3.420(26.03) 200 7.458(11.86) 180 5.418(16.35) 140 Natanite Fe++Sn++++(OH)6
3.426(25.99) 200 4.488(19.77) 176 5.496(16.11) 130 IMA2008-060 Mg2(BO3)(OH)
3.426(25.99) 200 4.020(22.09) 200 5.380(16.46) 180 Maucherite Ni11As8
3.440(25.88) 200 4.180(21.24) 180 5.840(15.16) 100 Gagarinite-(Y) NaCaY(F,Cl)6
3.440(25.88) 200 4.912(18.04) 200 8.460(10.45) 200 Hisingerite Fe+++2Si2O5(OH)4·2(H2O)

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