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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 |
| 6.792(13.02) | 200 | 3.954(22.47) | 130 | 6.546(13.52) | 104 | Aragonite | CaCO3 |
| 6.792(13.02) | 200 | 6.710(13.18) | 180 | 5.440(16.28) | 160 | Madocite | Pb17(Sb,As)16S41 |
| 6.792(13.02) | 200 | 5.696(15.54) | 62 | 4.156(21.36) | 58 | Pertlikite | K2(Fe++,Mg)2(Mg,Fe+++)4Fe+++2Al(SO4)12·18H2O |
| 6.798(13.01) | 200 | 7.784(11.36) | 140 | 5.924(14.94) | 100 | Macfallite | Ca2(Mn+++,Al)3(SiO4)(Si2O7)(OH)3 |
| 6.800(13.01) | 200 | 5.600(15.81) | 160 | 8.320(10.62) | 100 | Jagoite | (Pb,Na,Ca)3(Fe+++,Mg)Si3O10(Cl,OH) |
| 6.800(13.01) | 200 | 7.720(11.45) | 196 | 5.820(15.21) | 148 | Armenite | BaCa2Al6Si9O30·2(H2O) |
| 6.800(13.01) | 200 | 6.080(14.56) | 180 | 19.340(4.57) | 160 | Jamesite | Pb2Zn2Fe+++5(AsO4)5O4 |
| 6.800(13.01) | 200 | 10.620(8.32) | 140 | 5.308(16.69) | 118 | Turkestanite | Th(Ca,Na)2(K1-x,[ ]x)Si8O20·n(H2O) |
| 6.800(13.01) | 200 | 11.080(7.97) | 180 | 5.718(15.48) | 160 | Formicaite | Ca(HCOO)2 |
| 6.800(13.01) | 200 | 5.680(15.59) | 180 | 3.480(25.58) | 120 | Hallimondite | Pb2(UO2)(AsO4)2 |
| 6.800(13.01) | 200 | 7.040(12.56) | 160 | 5.420(16.34) | 140 | Tintinaite | Pb22Cu+4(Sb,Bi)30S69 |
| 6.800(13.01) | 200 | 5.280(16.78) | 120 | 4.560(19.45) | 100 | Manganite | MnO(OH) |
| 6.800(13.01) | 200 | 3.500(25.43) | 180 | 4.120(21.55) | 160 | Vikingite | Ag5Pb8Bi13S30 |
| 6.800(13.01) | 200 | 9.800(9.02) | 180 | 7.360(12.01) | 160 | Dashkovaite | Mg(HCOO)2·2(H2O) |
| 6.800(13.01) | 200 | 3.140(28.40) | 80 | 4.160(21.34) | 80 | Monsmedite | H8K2Tl2(SO4)8·11(H2O) |
| 6.800(13.01) | 200 | 5.116(17.32) | 120 | 4.100(21.66) | 100 | Kuranakhite | PbMn++++Te++++++O6 |
| 6.804(13.00) | 200 | 6.738(13.13) | 148 | 5.630(15.73) | 140 | Rouxelite | Cu2HgPb22Sb28S64(O,S)2 |
| 6.810(12.99) | 200 | 6.124(14.45) | 112 | 5.026(17.63) | 98 | Cobaltkieserite | CoSO4·H2O |
| 6.818(12.97) | 200 | 6.662(13.28) | 180 | 9.680(9.13) | 180 | Kieserite | MgSO4·(H2O) |
| 6.820(12.97) | 200 | 4.180(21.24) | 80 | 5.700(15.53) | 60 | Heyrovskyite | Pb10AgBi5S18 |
| 6.820(12.97) | 200 | 11.140(7.93) | 180 | 5.800(15.26) | 160 | Wairakite | CaAl2Si4O12·2(H2O) |
| 6.820(12.97) | 200 | 4.540(19.54) | 100 | 13.660(6.47) | 80 | Cerotungstite-(Ce) | (Ce,REE)W2O6(OH)3 |
| 6.820(12.97) | 200 | 3.500(25.43) | 140 | 4.080(21.76) | 140 | Usovite | Ba2CaMgAl2F14 |
| 6.820(12.97) | 200 | 6.520(13.57) | 160 | 6.120(14.46) | 150 | Avogadrite | (K,Cs)BF4 |
| 6.822(12.97) | 200 | 6.504(13.60) | 166 | 10.520(8.40) | 136 | Sazhinite-(La) | Na3La[Si6O15]·2(H2O) |
| 6.824(12.96) | 200 | 4.062(21.86) | 120 | 5.442(16.27) | 120 | Sakharovaite | (Pb,Fe)(Bi,Sb)2S4 |
| 6.828(12.95) | 200 | 20.260(4.36) | 200 | 6.396(13.83) | 160 | Sidpietersite | Pb++4(S++++++O3S--)O2(OH)2 |
| 6.828(12.95) | 200 | 4.028(22.05) | 160 | 5.786(15.30) | 140 | Eclarite | Pb9(Cu,Fe)Bi12S28 |
| 6.832(12.95) | 200 | 5.854(15.12) | 128 | 6.372(13.89) | 80 | Lukrahnite | Ca(Cu,Zn)(Fe,Zn)(AsO4)2(OH,H2O)2 |
| 6.836(12.94) | 200 | 5.526(16.03) | 190 | 4.716(18.80) | 146 | Leningradite | PbCu++3(VO4)2Cl2 |
| 6.840(12.93) | 200 | 9.540(9.26) | 110 | 6.140(14.41) | 90 | Gunningite | (Zn,Mn)SO4·(H2O) |
| 6.840(12.93) | 200 | 6.740(13.12) | 130 | 4.400(20.16) | 120 | Sillimanite | Al2SiO5 = Al[6]Al[4]OSiO4 |
| 6.840(12.93) | 200 | 3.806(23.35) | 160 | 4.910(18.05) | 140 | Brannerite | (U,Ca,Ce)(Ti,Fe)2O6 |
| 6.846(12.92) | 200 | 8.040(11.00) | 76 | 7.124(12.41) | 62 | Pellouxite | (Cu,Ag)Pb10Sb12S27(Cl,S)0.6O |
| 6.848(12.92) | 200 | 10.170(8.69) | 128 | 6.810(12.99) | 54 | IMA2008-022 | UO2(OH)2 |
| 6.852(12.91) | 200 | 6.756(13.09) | 176 | 5.882(15.05) | 108 | Aschamalmite | Pb6Bi2S9 |
| 6.854(12.91) | 200 | 6.084(14.55) | 160 | 6.624(13.36) | 160 | Izoklakeite | Pb27(Cu,Fe)2(Sb,Bi)19S57 |
| 6.854(12.91) | 200 | 4.034(22.02) | 160 | 5.506(16.08) | 150 | Moeloite | Pb6Sb6S14(S3) |
| 6.856(12.90) | 200 | 6.882(12.85) | 200 | 6.412(13.80) | 160 | Chervetite | Pb2V2O7 |
| 6.856(12.90) | 200 | 11.000(8.03) | 128 | 3.425(25.99) | 122 | Eugsterite | Na4Ca(SO4)3·2(H2O) |
| 6.860(12.89) | 200 | 5.850(15.13) | 160 | 11.220(7.87) | 160 | Analcime | NaAlSi2O6·(H2O) |
| 6.860(12.89) | 200 | 16.660(5.30) | 120 | 5.440(16.28) | 100 | Ungemachite | K3Na8Fe+++(SO4)6(NO3)2·6(H2O) |
| 6.860(12.89) | 200 | 5.626(15.74) | 70 | 7.400(11.95) | 70 | Jamesonite | Pb4FeSb6S14 |
| 6.860(12.89) | 200 | 6.380(13.87) | 130 | 4.616(19.21) | 120 | Pellyite | Ba2Ca(Fe++,Mg)2Si6O17 |
| 6.860(12.89) | 200 | 6.420(13.78) | 70 | 5.366(16.51) | 60 | Bradaczekite | NaCu4(AsO4)3 |
| 6.860(12.89) | 200 | 7.500(11.79) | 120 | 5.468(16.20) | 100 | Gratonite | Pb9As4S15 |
| 6.862(12.89) | 200 | 6.670(13.26) | 160 | 13.340(6.62) | 120 | Vlodavetsite | AlCa2(SO4)2F2Cl·4(H2O) |
| 6.880(12.86) | 200 | 5.140(17.24) | 160 | 6.300(14.05) | 160 | Jinshajiangite | Na2K5BaCa(Fe,Mn)8(Ti,Fe,Nb,Zr)4Si8O32(O,F,H2O)6 |
| 6.880(12.86) | 200 | 5.120(17.31) | 160 | 9.040(9.78) | 140 | Xenotime-(Yb) | YbPO4 |
| 6.880(12.86) | 200 | 5.354(16.54) | 190 | 5.506(16.08) | 150 | Bismoclite | BiOCl |
| 6.880(12.86) | 200 | 16.080(5.49) | 200 | 48.200(1.83) | 200 | Bornemanite | BaNa3{(Na,Ti)4[(Ti,Nb)2O2Si4O14](F,OH)2}·PO4 |
| 6.880(12.86) | 200 | 5.620(15.76) | 60 | 6.740(13.12) | 50 | Cosalite | Pb2Bi2S5 |
| 6.880(12.86) | 200 | 7.700(11.48) | 180 | 8.160(10.83) | 100 | Farringtonite | Mg3(PO4)2 |
| 6.880(12.86) | 200 | 6.240(14.18) | 80 | 5.040(17.58) | 70 | Szomolnokite | Fe++SO4·(H2O) |
| 6.880(12.86) | 200 | 6.760(13.09) | 180 | 8.260(10.70) | 120 | Sorbyite | Pb19(Sb,As)20S49 |
| 6.880(12.86) | 200 | 4.980(17.80) | 180 | 5.320(16.65) | 180 | Nolanite | (V+++,Fe++,Fe+++,Ti)10O14(OH)2 |
| 6.882(12.85) | 200 | 3.740(23.77) | 50 | 8.884(9.95) | 26 | Virgilite | LixAlxSi3-xO6 |
| 6.882(12.85) | 200 | 7.014(12.61) | 200 | 8.040(11.00) | 200 | Nalipoite | NaLi2PO4 |
| 6.884(12.85) | 200 | 8.120(10.89) | 62 | 8.720(10.14) | 40 | Alarsite | AlAsO4 |
| 6.884(12.85) | 200 | 6.202(14.27) | 194 | 4.240(20.93) | 160 | Barite | BaSO4 |
| 6.888(12.84) | 200 | 7.010(12.62) | 104 | 4.780(18.55) | 98 | Mereiterite | K2Fe++(SO4)2·4(H2O) |
| 6.890(12.84) | 200 | 8.720(10.14) | 38 | 4.724(18.77) | 28 | Rodolicoite | Fe+++PO4 |
| 6.890(12.84) | 200 | 4.444(19.96) | 160 | 7.306(12.10) | 140 | Yaroslavite | Ca3Al2F10(OH)2·(H2O) |
| 6.900(12.82) | 200 | 11.120(7.94) | 166 | 22.580(3.91) | 126 | Chloromenite | Cu9O2(SeO3)4Cl6 |
| 6.900(12.82) | 200 | 5.880(15.05) | 160 | 7.060(12.53) | 160 | Hyalotekite | (Ba,Pb,Ca,K)6(B,Si,Al)2(Si,Be)10O28(F,Cl) |
| 6.900(12.82) | 200 | 10.900(8.10) | 180 | 6.120(14.46) | 160 | Teineite | CuTeO3·2(H2O) |
| 6.900(12.82) | 200 | 3.922(22.65) | 100 | 6.060(14.61) | 80 | Galenobismutite | PbBi2S4 |
| 6.900(12.82) | 200 | 6.420(13.78) | 180 | 17.780(4.97) | 180 | Epistilbite | CaAl2Si6O16·5(H2O) |
| 6.900(12.82) | 200 | 5.780(15.32) | 170 | 14.500(6.09) | 170 | Vayrynenite | MnBe(PO4)(OH,F) |
| 6.900(12.82) | 200 | 17.760(4.97) | 160 | 13.840(6.38) | 160 | Dachiardite-Na | (Na2,Ca,K2)4Al4Si20O48·13(H2O) |
| 6.900(12.82) | 200 | 6.140(14.41) | 80 | 7.640(11.57) | 40 | Silvialite | (Ca,Na)4Al6Si6O24(SO4,CO3) |
| 6.900(12.82) | 200 | 5.840(15.16) | 160 | 8.340(10.60) | 160 | Launayite | Pb22Sb26S61 |
| 6.900(12.82) | 200 | 5.658(15.65) | 80 | 8.200(10.78) | 60 | Benavidesite | Pb4(Mn,Fe)Sb6S14 |
| 6.900(12.82) | 200 | 6.520(13.57) | 180 | 6.100(14.51) | 160 | Manaksite | KNaMn++Si4O10 |
| 6.900(12.82) | 200 | 3.536(25.16) | 100 | 5.120(17.31) | 100 | Xenotime-(Y) | YPO4 |
| 6.900(12.82) | 200 | 14.200(6.22) | 186 | 6.200(14.27) | 134 | Nickelzippeite | Ni++2(UO2)6(SO4)3(OH)10·16(H2O) |
| 6.900(12.82) | 200 | 5.600(15.81) | 80 | 3.656(24.33) | 60 | Zinkenite | Pb9Sb22S42 |
| 6.908(12.80) | 200 | 5.184(17.09) | 140 | 4.148(21.40) | 80 | Surkhobite | KBa3Ca2Na2(Mn, Fe++,Fe+++)16Ti8(Si2O7)8O8(OH)4 (F,O,OH)8 |
| 6.914(12.79) | 200 | 9.888(8.94) | 200 | 9.464(9.34) | 160 | Metadelrioite | CaSrV2O6(OH)2·(H2O) |
| 6.915(12.79) | 200 | 5.667(15.62) | 198 | 7.213(12.26) | 114 | IMA2005-036 | Cu8Pb4Ag3Bi19S38 |
| 6.920(12.78) | 200 | 6.140(14.41) | 140 | 6.060(14.61) | 120 | Scapolite | (Na,Ca)4[(Al,Si)12O24]Cl |
| 6.920(12.78) | 200 | 6.160(14.37) | 100 | 9.440(9.36) | 100 | Poitevinite | (Cu,Fe++,Zn)SO4·(H2O) |
| 6.920(12.78) | 200 | 5.380(16.46) | 180 | 6.760(13.09) | 160 | Wenkite | Ba4Ca6(Si,Al)20O39(OH)2(SO4)3·n(H2O) (?) |
| 6.928(12.77) | 200 | 6.138(14.42) | 140 | 7.648(11.56) | 120 | Meionite | Ca4Al6Si6O24CO3 |
| 6.928(12.77) | 200 | 6.346(13.94) | 118 | 3.462(25.71) | 38 | Qilianshanite | NaH4(CO3)(BO3)·2(H2O) |
| 6.936(12.75) | 200 | 3.916(22.69) | 160 | 5.526(16.03) | 50 | Armalcolite | (Mg,Fe++)Ti2O5 |
| 6.936(12.75) | 200 | 5.896(15.01) | 172 | 5.774(15.33) | 152 | Morinite | NaCa2Al2(PO4)2(F,OH)5·2(H2O) |
| 6.940(12.74) | 200 | 13.840(6.38) | 156 | 3.966(22.40) | 126 | Paraspurrite | Ca5(SiO4)2(CO3) |
| 6.940(12.74) | 200 | 5.780(15.32) | 160 | 5.600(15.81) | 140 | Berryite | Cu3Ag2Pb3Bi7S16 |
| 6.940(12.74) | 200 | 9.320(9.48) | 200 | 5.280(16.78) | 140 | Coffinite | U(SiO4)1-x(OH)4x |
| 6.940(12.74) | 200 | 5.208(17.01) | 160 | 14.800(5.97) | 120 | Vyuntspakhkite-(Y) | (Y,Yb,Er)4Al2AlSi5O18(OH)5 |
| 6.944(12.74) | 200 | 5.912(14.97) | 108 | 4.104(21.64) | 92 | Scainiite | Pb14Sb30S54O5 |
| 6.948(12.73) | 200 | 20.860(4.23) | 84 | 5.212(17.00) | 80 | Perraultite | (Na,Ca)2(Ba,K)2(Mn++,Fe++)8(Ti,Nb)4Si8O32(OH,F,O)6 |
| 6.954(12.72) | 200 | 10.380(8.51) | 180 | 5.600(15.81) | 100 | Horvathite-(Y) | NaY(CO3)F2 |
| 6.956(12.72) | 200 | 5.684(15.58) | 188 | 7.292(12.13) | 114 | Cupromakovickyite | Cu4AgPb2Bi9S18 |
| 6.960(12.71) | 200 | 9.120(9.69) | 140 | 7.380(11.98) | 120 | Carlhintzeite | Ca2AlF7·(H2O) |
| 6.960(12.71) | 200 | 13.800(6.40) | 180 | 14.600(6.05) | 180 | Creedite | Ca3Al2(SO4)(F,OH)10·2(H2O) |
| 6.960(12.71) | 200 | 5.300(16.71) | 80 | 11.600(7.61) | 60 | Monimolite | (Pb,Ca)2Sb2O7 |
| 6.960(12.71) | 200 | 4.444(19.96) | 160 | 7.440(11.89) | 140 | Vimsite | CaB2O2(OH)4 |
| 6.960(12.71) | 200 | 5.912(14.97) | 94 | 6.916(12.79) | 80 | Pillaite | Pb9Sb10S23ClO0.5 |