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X-Ray Diffraction Table |
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X-Ray Diffraction Table |
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.
| D1 Å (2θ) |
I1 %) |
D2 Å (2θ) |
I2 (%) |
D3 Å (2θ) |
I3 (%) |
Mineral | Formula |
| 5.734(15.44) | 200 | 6.508(13.59) | 190 | 15.960(5.53) | 180 | Beryl | Be3Al2Si6O18 |
| 5.734(15.44) | 200 | 7.470(11.84) | 192 | 6.694(13.22) | 168 | IMA2008-053 | Cu7Pb27Bi25S68 |
| 5.734(15.44) | 200 | 8.774(10.07) | 100 | 13.098(6.74) | 100 | Tetranatrolite | Na2[Al2Si3O10]·2(H2O) |
| 5.736(15.43) | 200 | 4.060(21.87) | 180 | 4.690(18.91) | 150 | Elpasolite | K2NaAlF6 |
| 5.736(15.43) | 200 | 6.170(14.34) | 120 | 7.422(11.91) | 100 | Hardystonite | Ca2ZnSi2O7 |
| 5.738(15.43) | 200 | 5.930(14.93) | 160 | 23.640(3.73) | 110 | Hodgkinsonite | MnZn2SiO4(OH)2 |
| 5.740(15.42) | 200 | 6.100(14.51) | 180 | 6.520(13.57) | 140 | Triplite | (Mn,Fe++,Mg,Ca)2(PO4)(F,OH) |
| 5.740(15.42) | 200 | 7.400(11.95) | 140 | 5.250(16.87) | 120 | Antimonselite | Sb2Se3 |
| 5.740(15.42) | 200 | 5.372(16.49) | 100 | 6.060(14.61) | 60 | Caryinite | (Na,Pb)(Ca,Na)(Ca,Mn++)(Mn++,Mg)2(AsO4)3 |
| 5.740(15.42) | 200 | 7.300(12.11) | 200 | 7.800(11.33) | 200 | Sahamalite-(Ce) | (Mg,Fe++)Ce2(CO3)4 |
| 5.740(15.42) | 200 | 3.800(23.39) | 160 | 3.996(22.23) | 160 | Belovite-(Ce) | (Sr,Ce,Na,Ca)5(PO4)3(OH) |
| 5.740(15.42) | 200 | 5.360(16.53) | 120 | 6.260(14.14) | 80 | Paakkonenite | Sb2AsS2 |
| 5.740(15.42) | 200 | 6.000(14.75) | 180 | 6.560(13.49) | 90 | Hiortdahlite | (Ca,Na,Y)3(Zr,Ti)Si2O7(F,O,OH)2 |
| 5.740(15.42) | 200 | 3.520(25.28) | 60 | 6.180(14.32) | 60 | Akermanite | Ca2MgSi2O7 |
| 5.740(15.42) | 200 | 6.180(14.32) | 200 | 8.400(10.52) | 140 | Steenstrupine-(Ce) | Na14Ce6Mn++Mn+++Fe++2(Zr,Th)(Si6O18)2(PO4)7·3(H2O) |
| 5.744(15.41) | 200 | 6.390(13.85) | 140 | 5.964(14.84) | 120 | Bustamite | (Mn,Ca)3Si3O9 |
| 5.744(15.41) | 200 | 5.658(15.65) | 156 | 20.722(4.26) | 138 | Chloroxiphite | Pb3CuCl2(OH)2O2 |
| 5.744(15.41) | 200 | 23.020(3.84) | 200 | 6.130(14.44) | 94 | Tuscanite | K(Ca,Na)6(Si,Al)10O22(SO4,CO3,(OH)2)·(H2O) |
| 5.748(15.40) | 200 | 4.408(20.13) | 180 | 8.580(10.30) | 180 | Papagoite | CaCuAlSi2O6(OH)3 |
| 5.752(15.39) | 200 | 4.136(21.47) | 120 | 8.680(10.18) | 80 | Coiraite | (Pb,Sn)12.5As3Sn5FeS28 |
| 5.754(15.39) | 200 | 7.948(11.12) | 56 | 3.756(23.67) | 52 | IMA2008-068 | Ca2Pb3(PO4)3F |
| 5.757(15.38) | 200 | 6.506(13.60) | 180 | 10.780(8.20) | 160 | Cervandonite-(Ce) | (Ce,Nd,La)(Fe+++,Fe++,Ti++++,Al)3(SiO7)1-x+y(AsO3)1+x-y(OH)3x-3y |
| 5.758(15.38) | 200 | 6.714(13.18) | 120 | 6.254(14.15) | 100 | Iltisite | HgSAg(Cl,Br) |
| 5.758(15.38) | 200 | 7.128(12.41) | 140 | 9.760(9.05) | 80 | Bastnasite-(Ce) | Ce(CO3)F |
| 5.760(15.37) | 200 | 6.360(13.91) | 180 | 3.934(22.58) | 160 | Klockmannite | CuSe |
| 5.760(15.37) | 200 | 5.880(15.05) | 200 | 6.900(12.82) | 180 | Potosiite | Pb6Sn2FeSb2S14 |
| 5.760(15.37) | 200 | 5.900(15.00) | 160 | 5.560(15.93) | 80 | Iimoriite-(Y) | Y2(SiO4)(CO3) |
| 5.760(15.37) | 200 | 4.100(21.66) | 180 | 6.760(13.09) | 180 | Bursaite | Pb5Bi4S11 |
| 5.760(15.37) | 200 | 5.960(14.85) | 200 | 6.620(13.36) | 200 | Fornacite | Pb2Cu(CrO4)(AsO4)(OH) |
| 5.760(15.37) | 200 | 7.700(11.48) | 200 | 11.460(7.71) | 100 | Cylindrite | Pb3Sn4FeSb2S14 |
| 5.760(15.37) | 200 | 9.620(9.19) | 180 | 5.200(17.04) | 160 | Gadolinite-(Ce) | (Ce,La,Nd,Y)2Fe++Be2Si2O10 |
| 5.760(15.37) | 200 | 6.460(13.70) | 200 | 5.200(17.04) | 160 | Arsendescloizite | PbZn(AsO4)(OH) |
| 5.760(15.37) | 140 | 6.200(14.27) | 140 | 6.580(13.45) | 120 | Karnasurtite-(Ce) | (Ce,La,Th)(Ti,Nb)(Al,Fe+++)(Si,P)2O7(OH)4·3(H2O) (?) |
| 5.760(15.37) | 200 | 7.120(12.42) | 140 | 9.760(9.05) | 80 | Bastnasite-(La) | La(CO3)F |
| 5.760(15.37) | 200 | 5.404(16.39) | 160 | 5.272(16.80) | 140 | Quadruphite-VIII | Na14CaMgTi4(Si2O7)2(PO4)4O4F2 |
| 5.760(15.37) | 200 | 5.960(14.85) | 190 | 6.340(13.96) | 120 | Clinoenstatite | Mg2Si2O6 |
| 5.760(15.37) | 200 | 5.654(15.66) | 166 | 4.058(21.88) | 128 | Hilgardite | Ca2B5O9Cl·(H2O) |
| 5.760(15.37) | 200 | 5.404(16.39) | 160 | 5.272(16.80) | 140 | Quadruphite-VII | Na14CaMgTi4[Si2O7]2(PO4)4O4F2 |
| 5.762(15.36) | 200 | 6.056(14.61) | 200 | 6.378(13.87) | 116 | Rustumite | Ca10(Si2O7)2(SiO4)Cl2(OH)2 |
| 5.764(15.36) | 200 | 11.700(7.55) | 200 | 13.180(6.70) | 180 | Scolecite | CaAl2Si3O10·3(H2O) |
| 5.764(15.36) | 200 | 11.600(7.61) | 142 | 12.160(7.26) | 100 | Perhamite | Ca3Al7(SiO4)3(PO4)4(OH)3·16.5(H2O) |
| 5.764(15.36) | 200 | 6.374(13.88) | 180 | 8.152(10.84) | 160 | Almarudite | K([ ],Na)2(Mn,Fe,Mg)2(Be,Al)3[Si12O30] |
| 5.766(15.35) | 200 | 3.570(24.92) | 120 | 4.382(20.25) | 100 | Dolomite | CaMg(CO3)2 |
| 5.766(15.35) | 200 | 5.874(15.07) | 100 | 6.446(13.73) | 92 | Viitaniemiite | Na(Ca,Mn++)Al(PO4)(F,OH)3 |
| 5.768(15.35) | 200 | 5.794(15.28) | 200 | 7.180(12.32) | 174 | Belovite-(La) | (Sr,La,Ce,Ca)5(PO4)3(F,OH) |
| 5.768(15.35) | 200 | 5.652(15.67) | 180 | 11.540(7.65) | 140 | Sverigeite | NaMnMgSn++++Be2Si3O12(OH) |
| 5.770(15.34) | 200 | 6.286(14.08) | 180 | 5.350(16.56) | 180 | Tedhadleyite | Hg++Hg+10O4I2(Cl1.16Br0.84)2 |
| 5.772(15.34) | 200 | 4.082(21.75) | 110 | 3.334(26.72) | 32 | Bromargyrite | AgBr |
| 5.774(15.33) | 200 | 5.842(15.15) | 200 | 9.400(9.40) | 200 | Larderellite | (NH4)B5O6(OH)4 |
| 5.774(15.33) | 200 | 4.082(21.75) | 140 | 6.868(12.88) | 140 | Wittite | Pb3Bi4(S,Se)9 |
| 5.776(15.33) | 200 | 23.876(3.70) | 180 | 5.934(14.92) | 100 | Lalondeite | (Na,Ca)6(Ca,Na)3Si16O38(F,OH)2·3(H2O) |
| 5.776(15.33) | 200 | 6.037(14.66) | 168 | 5.776(15.33) | 96 | Selenopolybasite | [(Ag,Cu)6(Sb,As)2(S,Se)7][Ag9Cu(S,Se)2Se2] |
| 5.779(15.32) | 200 | 6.822(12.97) | 180 | 6.590(13.42) | 176 | Heteromorphite | Pb7Sb8S19 |
| 5.780(15.32) | 200 | 3.178(28.05) | 180 | 3.464(25.70) | 180 | Kettnerite | CaBi(CO3)OF |
| 5.780(15.32) | 200 | 3.886(22.87) | 180 | 5.260(16.84) | 180 | Padmaite | PdBiSe |
| 5.780(15.32) | 200 | 5.980(14.80) | 200 | 4.586(19.34) | 160 | Alunite | KAl3(SO4)2(OH)6 |
| 5.780(15.32) | 200 | 5.040(17.58) | 180 | 6.120(14.46) | 160 | Lammerite | Cu3[(As,P)O4]2 |
| 5.780(15.32) | 200 | 6.380(13.87) | 200 | 8.160(10.83) | 180 | Sogdianite | (K,Na)2(Li,Fe+++,Al)3ZrSi12O30 |
| 5.780(15.32) | 200 | 6.900(12.82) | 180 | 5.500(16.10) | 160 | Miargyrite | AgSbS2 |
| 5.780(15.32) | 200 | 2.900(30.81) | 140 | 4.520(19.62) | 140 | Mongshanite | (Mg,Cr,Fe++)2(Ti,Zr)5O12 |
| 5.780(15.32) | 200 | 5.620(15.76) | 180 | 6.440(13.74) | 100 | Lavenite | (Na,Ca)2(Mn,Fe++)(Zr,Ti,Nb)Si2O7(O,OH,F) |
| 5.780(15.32) | 200 | 4.218(21.04) | 160 | 3.980(22.32) | 140 | Hexatestibiopanickelite | (Ni,Pd)(Te,Sb) |
| 5.780(15.32) | 200 | 5.360(16.53) | 190 | 6.140(14.41) | 180 | Kilchoanite | Ca3Si2O7 |
| 5.780(15.32) | 200 | 5.560(15.93) | 140 | 6.334(13.97) | 140 | Apatite-(SrOH) | (Sr,Ca)5(PO4)3(F,OH) |
| 5.780(15.32) | 200 | 3.552(25.05) | 160 | 3.028(29.47) | 140 | Kobeite-(Y) | (Y,U)(Ti,Nb)2(O,OH)6 (?) |
| 5.780(15.32) | 200 | 8.880(9.95) | 160 | 7.260(12.18) | 140 | Getchellite | AsSbS3 |
| 5.780(15.32) | 200 | 7.980(11.08) | 200 | 14.500(6.09) | 160 | Stokesite | CaSnSi3O9·2(H2O) |
| 5.780(15.32) | 200 | 5.580(15.87) | 160 | 5.180(17.10) | 140 | Clinozoisite | Ca2Al3(SiO4)3(OH) = Ca2AlAl2(SiO4)(Si2O7)O(OH) |
| 5.780(15.32) | 200 | 3.578(24.86) | 80 | 3.612(24.63) | 66 | Minrecordite | CaZn(CO3)2 |
| 5.780(15.32) | 200 | 6.700(13.20) | 120 | 8.340(10.60) | 120 | Raguinite | TlFeS2 |
| 5.782(15.31) | 200 | 7.508(11.78) | 140 | 5.550(15.96) | 100 | Thorikosite | Pb3(Sb+++,As+++)O3(OH)Cl2 |
| 5.782(15.31) | 200 | 7.166(12.34) | 200 | 14.500(6.09) | 200 | Schneiderhohnite | Fe++Fe+++3As+++5O13 |
| 5.784(15.31) | 200 | 5.200(17.04) | 160 | 5.364(16.51) | 160 | Mukhinite | Ca2Al2V+++(SiO4)3(OH) |
| 5.788(15.30) | 200 | 6.264(14.13) | 180 | 5.444(16.27) | 160 | Vasilyevite | (Hg2)++10O6I3Cl(CO3) |
| 5.788(15.30) | 200 | 6.860(12.89) | 180 | 3.962(22.42) | 150 | Senaite | Pb(Ti,Fe,Mn)21O38 |
| 5.790(15.29) | 200 | 5.232(16.93) | 106 | 7.012(12.61) | 82 | Manganiandrosite-(La) | (Mn,Ca)(La,Ce,Ca,Nd)AlMn+++Mn++(SiO4)(Si2O7)O(OH) |
| 5.790(15.29) | 200 | 5.992(14.77) | 200 | 6.726(13.15) | 200 | Gustavite | PbAgBi3S6 (?) |
| 5.790(15.29) | 200 | 5.938(14.91) | 200 | 5.510(16.07) | 140 | Scandiobabingtonite | Ca2(Fe++,Mn)ScSi5O14(OH) |
| 5.790(15.29) | 200 | 6.840(12.93) | 144 | 5.700(15.53) | 120 | Davidite-(La) | (La,Ce,Ca)(Y,U)(Ti,Fe+++)20O38 |
| 5.790(15.29) | 200 | 5.596(15.82) | 140 | 5.640(15.70) | 140 | Johnbaumite | Ca5(AsO4)3(OH) |
| 5.790(15.29) | 200 | 5.824(15.20) | 190 | 7.574(11.67) | 160 | Pumpellyite-(Al) | Ca2(Al,Fe++,Mg)Al2(SiO4)(Si2O7)(OH,O)2·H2O |
| 5.790(15.29) | 200 | 5.422(16.33) | 180 | 14.162(6.24) | 160 | Rouvilleite | Na3Ca2(CO3)3F |
| 5.792(15.28) | 200 | 5.324(16.64) | 116 | 5.414(16.36) | 86 | Manganiandrosite-(Ce) | (Mn++,Ca)(Ce,REE)AlMn+++Mn++(Si2O7)(SiO4)O(OH) |
| 5.792(15.28) | 200 | 5.382(16.46) | 140 | 5.826(15.20) | 100 | Sobolevite | Na11(Na,Ca)4(Mg,Mn)Ti++++4(Si4O12)(PO4)4O5F3 |
| 5.792(15.28) | 200 | 8.348(10.59) | 90 | 5.368(16.50) | 84 | Demicheleite-(Cl) | BiSCl |
| 5.792(15.28) | 200 | 13.340(6.62) | 180 | 9.440(9.36) | 160 | Mammothite | Pb6Cu4AlSb+++++O2(SO4)2Cl4(OH)16 |
| 5.796(15.27) | 200 | 6.054(14.62) | 136 | 5.226(16.95) | 52 | Grenmarite | (Zr,Mn)2(Zr,Ti)(Mn,Na)(Na,Ca)4(Si2O7)2(O,F)4 |
| 5.798(15.27) | 200 | 3.624(24.54) | 12 | 4.398(20.17) | 12 | Ankerite | Ca(Fe++,Mg,Mn)(CO3)2 |
| 5.800(15.26) | 200 | 6.360(13.91) | 140 | 5.700(15.53) | 32 | Polyhalite | K2Ca2Mg(SO4)4·2(H2O) |
| 5.800(15.26) | 200 | 6.360(13.91) | 120 | 3.562(24.98) | 60 | Leightonite | K2Ca2Cu(SO4)4·2(H2O) |
| 5.800(15.26) | 200 | 3.380(26.35) | 140 | 5.280(16.78) | 140 | Shcherbakovite | KKNaTi2O(OH)[Si4O12] |
| 5.800(15.26) | 200 | 5.920(14.95) | 200 | 20.260(4.36) | 200 | Rudenkoite | Sr3Al3[(Si,Al)4O10](OH,O)8Cl2·H2O |
| 5.800(15.26) | 200 | 5.820(15.21) | 200 | 7.580(11.66) | 180 | Pumpellyite-(Fe+++) | Ca2Fe+++Al2(SiO4)(Si2O7)(OH,O)2·(H2O) |
| 5.800(15.26) | 200 | 5.404(16.39) | 160 | 5.706(15.52) | 140 | Gatehouseite | Mn++5(PO4)2(OH)4 |
| 5.800(15.26) | 200 | 4.940(17.94) | 170 | 6.318(14.01) | 142 | Lacroixite | NaAl(PO4)F |
| 5.800(15.26) | 200 | 9.396(9.40) | 100 | 2.304(39.06) | 80 | Allendeite | Sc4Zr3O12 |
| 5.800(15.26) | 200 | 6.040(14.65) | 200 | 6.420(13.78) | 160 | Pigeonite | (Mg,Fe++,Ca)(Mg,Fe++)Si2O6 |
| 5.800(15.26) | 200 | 5.580(15.87) | 96 | 5.400(16.40) | 52 | Clinozoisite-(Sr) | CaSrAl3(Si2O7)(SiO4)O(OH) |
| 5.800(15.26) | 200 | 5.480(16.16) | 100 | 7.580(11.66) | 100 | Pumpellyite-(Mg) | Ca2MgAl2(SiO4)(Si2O7)(OH)2·(H2O) |
| 5.800(15.26) | 200 | 12.738(6.93) | 180 | 8.832(10.01) | 160 | Aegirine | NaFe+++Si2O6 |