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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 |
| 5.774(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 | 6.037(14.66) | 168 | 5.776(15.33) | 96 | Selenopolybasite | [(Ag,Cu)6(Sb,As)2(S,Se)7][Ag9Cu(S,Se)2Se2] |
| 5.776(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) |
| 5.779(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 | 5.980(14.80) | 200 | 4.586(19.34) | 160 | Alunite | KAl3(SO4)2(OH)6 |
| 5.780(15.32) | 200 | 5.360(16.53) | 190 | 6.140(14.41) | 180 | Kilchoanite | Ca3Si2O7 |
| 5.780(15.32) | 200 | 3.578(24.86) | 80 | 3.612(24.63) | 66 | Minrecordite | CaZn(CO3)2 |
| 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 | 6.700(13.20) | 120 | 8.340(10.60) | 120 | Raguinite | TlFeS2 |
| 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 | 3.886(22.87) | 180 | 5.260(16.84) | 180 | Padmaite | PdBiSe |
| 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 | 7.980(11.08) | 200 | 14.500(6.09) | 160 | Stokesite | CaSnSi3O9·2(H2O) |
| 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 | 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 | 8.880(9.95) | 160 | 7.260(12.18) | 140 | Getchellite | AsSbS3 |
| 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 | 5.040(17.58) | 180 | 6.120(14.46) | 160 | Lammerite | Cu3[(As,P)O4]2 |
| 5.782(15.31) | 200 | 7.166(12.34) | 200 | 14.500(6.09) | 200 | Schneiderhohnite | Fe++Fe+++3As+++5O13 |
| 5.782(15.31) | 200 | 7.508(11.78) | 140 | 5.550(15.96) | 100 | Thorikosite | Pb3(Sb+++,As+++)O3(OH)Cl2 |
| 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 | 5.824(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 | 5.232(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 | 5.596(15.82) | 140 | 5.640(15.70) | 140 | Johnbaumite | Ca5(AsO4)3(OH) |
| 5.790(15.29) | 200 | 5.422(16.33) | 180 | 14.162(6.24) | 160 | Rouvilleite | Na3Ca2(CO3)3F |
| 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 | 5.938(14.91) | 200 | 5.510(16.07) | 140 | Scandiobabingtonite | Ca2(Fe++,Mn)ScSi5O14(OH) |
| 5.792(15.28) | 200 | 13.340(6.62) | 180 | 9.440(9.36) | 160 | Mammothite | Pb6Cu4AlSb+++++O2(SO4)2Cl4(OH)16 |
| 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 | 8.348(10.59) | 90 | 5.368(16.50) | 84 | Demicheleite-(Cl) | BiSCl |
| 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 |
| 5.796(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 | 6.040(14.65) | 200 | 6.420(13.78) | 160 | Pigeonite | (Mg,Fe++,Ca)(Mg,Fe++)Si2O6 |
| 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 | 6.360(13.91) | 120 | 3.562(24.98) | 60 | Leightonite | K2Ca2Cu(SO4)4·2(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 | 5.480(16.16) | 100 | 7.580(11.66) | 100 | Pumpellyite-(Mg) | Ca2MgAl2(SiO4)(Si2O7)(OH)2·(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 | 4.940(17.94) | 170 | 6.318(14.01) | 142 | Lacroixite | NaAl(PO4)F |
| 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 | 9.396(9.40) | 100 | 2.304(39.06) | 80 | Allendeite | Sc4Zr3O12 |
| 5.800(15.26) | 200 | 3.380(26.35) | 140 | 5.280(16.78) | 140 | Shcherbakovite | KKNaTi2O(OH)[Si4O12] |
| 5.800(15.26) | 200 | 5.580(15.87) | 96 | 5.400(16.40) | 52 | Clinozoisite-(Sr) | CaSrAl3(Si2O7)(SiO4)O(OH) |
| 5.800(15.26) | 200 | 12.738(6.93) | 180 | 8.832(10.01) | 160 | Aegirine | NaFe+++Si2O6 |
| 5.802(15.26) | 200 | 4.148(21.40) | 130 | 4.052(21.92) | 102 | Zlatogorite | CuNiSb2 |
| 5.802(15.26) | 200 | 6.164(14.36) | 80 | 6.122(14.46) | 40 | Pectolite | NaCa2Si3O8(OH) |
| 5.802(15.26) | 200 | 5.384(16.45) | 120 | 5.222(16.96) | 100 | Allanite-(La) | Ca(REE,Ca)Al2(Fe++,Fe+++)(SiO4)(Si2O7)O(OH) |
| 5.804(15.25) | 200 | 3.638(24.45) | 66 | 3.404(26.16) | 42 | Ashoverite | Zn(OH)2 |
| 5.804(15.25) | 200 | 4.082(21.75) | 120 | 3.100(28.77) | 100 | Borovskite | Pd3SbTe4 |
| 5.806(15.25) | 200 | 6.002(14.75) | 142 | 5.772(15.34) | 106 | Arcanite | K2SO4 |
| 5.806(15.25) | 200 | 5.196(17.05) | 100 | 8.000(11.05) | 100 | Piemontite | Ca2(Al,Mn,Fe)3(SiO4)3(OH) = Ca2(Mn,Fe)Al2(SiO4)(Si2O7)O(OH) |
| 5.806(15.25) | 200 | 31.400(2.81) | 200 | 6.560(13.49) | 150 | Chiavennite | CaMnBe2Si5O13(OH)2·2(H2O) |
| 5.810(15.24) | 200 | 7.042(12.56) | 160 | 4.398(20.17) | 160 | Raadeite | Mg7(PO4)2(OH)8 |
| 5.812(15.23) | 200 | 5.982(14.80) | 154 | 24.580(3.59) | 120 | Ottensite | Na3(Sb2O3)3(SbS3)·3H2O |
| 5.814(15.23) | 200 | 5.652(15.67) | 180 | 6.860(12.89) | 120 | Turneaureite | Ca5[(As,P)O4]3Cl |
| 5.814(15.23) | 200 | 6.842(12.93) | 200 | 7.304(12.11) | 160 | Pollucite | (Cs,Na)2Al2Si4O12·(H2O) |
| 5.816(15.22) | 200 | 5.200(17.04) | 160 | 3.736(23.80) | 120 | Kochite | Na2(Na,Ca)4Ca4(Mn,Ca)2Zr2Ti2(Si2O7)4(O,F)4F4 |
| 5.818(15.22) | 200 | 3.548(25.08) | 176 | 8.440(10.47) | 136 | Demicheleite-(Br) | BiSBr |
| 5.820(15.21) | 200 | 5.500(16.10) | 120 | 7.580(11.66) | 120 | Pumpellyite-(Fe++) | Ca2Fe++(Al,Fe+++)2(SiO4)(Si2O7)(OH)2·(H2O) |
| 5.820(15.21) | 200 | 6.860(12.89) | 190 | 6.880(12.86) | 190 | Vanthoffite | Na6Mg(SO4)4 |
| 5.820(15.21) | 200 | 6.420(13.78) | 100 | 9.700(9.11) | 100 | Yoshimuraite | (Ba,Sr)2(Mn,Fe)2(Ti,Fe)(Si2O7)2(PO4,SO4)(OH) |
| 5.820(15.21) | 200 | 5.260(16.84) | 160 | 5.460(16.22) | 140 | Khristovite-(Ce) | (Ca,REE)(Ce,REE)(Mg,Fe,Cr,Ti,V,Al)Mn++Al(SiO4)(Si2O7)(OH)(F,O) |
| 5.820(15.21) | 200 | 5.200(17.04) | 100 | 6.980(12.67) | 100 | Epidote-(Pb) | (Ca,Pb,Sr)2(Al,Fe+++)3(SiO4)(Si2O7)O(OH) |
| 5.820(15.21) | 200 | 5.980(14.80) | 160 | 6.140(14.41) | 60 | Aeschynite-(Y) | (Y,Ca,Fe)(Ti,Nb)2(O,OH)6 |
| 5.820(15.21) | 200 | 5.640(15.70) | 180 | 5.680(15.59) | 180 | Svabite | Ca5(AsO4)3F |
| 5.820(15.21) | 200 | 4.320(20.54) | 100 | 6.780(13.05) | 100 | Batisite | BaNaNaTi2O2[Si4O12] |
| 5.820(15.21) | 200 | 8.840(1-) | 150 | 7.460(11.85) | 120 | Muirite | Ba10Ca2Mn++TiSi10O30(OH,Cl,F)10 |
| 5.820(15.21) | 200 | 6.680(13.24) | 140 | 5.200(17.04) | 110 | Schuetteite | Hg3(SO4)O2 |
| 5.820(15.21) | 200 | 5.740(15.42) | 160 | 8.840(1-) | 160 | Bartelkeite | PbFe++Ge3O8 |
| 5.820(15.21) | 200 | 9.220(9.58) | 180 | 6.000(14.75) | 160 | Ferrosilite | (Fe++,Mg)2Si2O6 |
| 5.820(15.21) | 200 | 10.360(8.53) | 160 | 4.640(19.11) | 140 | Chiolite | Na5Al3F14 |
| 5.822(15.21) | 200 | 9.900(8.92) | 176 | 7.192(12.30) | 158 | Hydroxylbastnasite-(Nd) | Nd(CO3)(OH) |
| 5.822(15.21) | 200 | 5.910(14.98) | 180 | 6.572(13.46) | 180 | Symesite | Pb10(SO4)O7Cl4·(H2O) |
| 5.824(15.20) | 200 | 8.520(10.37) | 180 | 7.600(11.63) | 140 | Picotpaulite | TlFe2S3 |
| 5.824(15.20) | 200 | 4.374(20.29) | 180 | 3.918(22.68) | 140 | Temagamite | Pd3HgTe3 |
| 5.824(15.20) | 200 | 5.664(15.63) | 180 | 5.138(17.24) | 160 | Taikanite | (Ba,Sr)2Mn+++2Si4O12 |
| 5.826(15.20) | 200 | 7.078(12.50) | 200 | 7.534(11.74) | 180 | Neustadtelite | Bi2Fe+++(Fe+++,Co)(O,OH)2(OH)2(AsO4)2 |
| 5.828(15.19) | 200 | 5.294(16.73) | 116 | 3.464(25.70) | 92 | Aluminocerite-(Ce) | (Ce,REE,Ca)9(Al,Fe+++)(SiO4)3[SiO3(OH)]4(OH)3 |
| 5.830(15.18) | 200 | 9.400(9.40) | 108 | 8.420(10.50) | 80 | Frankamenite | K3Na3Ca5(Si12O30)[F,(OH)]4·(H2O) |
| 5.830(15.18) | 200 | 3.790(23.45) | 150 | 5.512(16.07) | 122 | Takedaite | Ca3(BO3)2 |
| 5.830(15.18) | 200 | 5.418(16.35) | 140 | 5.704(15.52) | 60 | Dollaseite-(Ce) | CaCeMg2AlSi3O11(OH,F)2 |
| 5.830(15.18) | 200 | 5.586(15.85) | 180 | 4.034(22.02) | 148 | Tin | Sn |
| 5.830(15.18) | 200 | 8.920(9.91) | 180 | 5.276(16.79) | 160 | Mckelveyite-(Y) | NaCa(Ba,Sr)3(Y,REE)(CO3)6·3(H2O) |
| 5.830(15.18) | 200 | 8.408(10.51) | 80 | 11.744(7.52) | 62 | Fluorcanasite | K3Na3Ca5Si12O30F4·H2O |
| 5.832(15.18) | 200 | 24.820(3.56) | 160 | 6.000(14.75) | 148 | Cetineite | (K,Na)3+x(Sb2O3)3(Sb2S3)(OH)x·(2.8-x)(H2O) |
| 5.832(15.18) | 154 | 7.478(11.82) | 82 | 7.222(12.25) | 46 | Krasnoselskite | CoWO4 |
| 5.832(15.18) | 200 | 5.872(15.08) | 100 | 6.986(12.66) | 100 | Piemontite-(Sr) | (Ca,Mn++)(Sr,Ca)Mn+++(Al,Mn+++,Fe+++)2(SiO4)(Si2O7)O(OH) |
| 5.834(15.17) | 200 | 5.912(14.97) | 160 | 8.126(10.88) | 140 | Novgorodovaite | Ca2(C2O4)Cl2·2(H2O) |
| 5.836(15.17) | 200 | 5.920(14.95) | 170 | 6.820(12.97) | 170 | Sorensenite | Na4SnBe2Si6O18·2(H2O) |
| 5.838(15.16) | 200 | 5.318(16.66) | 162 | 12.564(7.03) | 138 | IMA2008-032 | CuCl2·2NH3 |
| 5.838(15.16) | 200 | 10.074(8.77) | 180 | 11.240(7.86) | 180 | Duranusite | As4S |
| 5.840(15.16) | 200 | 18.760(4.71) | 160 | 3.394(26.24) | 140 | Chabazite-Sr | (Sr,Ca,K2,Na2)[Al2Si4O12]·6(H2O) |