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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 |
| 5.268(16.82) | 200 | 5.668(15.62) | 190 | 6.972(12.69) | 160 | Willemite | Zn2SiO4 |
| 5.270(16.81) | 200 | 7.930(11.15) | 200 | 7.588(11.65) | 180 | Lithiophosphate | Li3PO4 |
| 5.274(16.80) | 200 | 5.602(15.81) | 200 | 6.342(13.95) | 200 | Austinite | CaZn(AsO4)(OH) |
| 5.274(16.80) | 200 | 4.344(20.43) | 180 | 6.260(14.14) | 140 | Oxykinoshitalite | (Ba,K)(Mg,Fe++,Ti)3(Si,Al)4O10O2 |
| 5.278(16.78) | 200 | 6.082(14.55) | 160 | 10.560(8.37) | 140 | Burbankite | (Na,Ca)3(Sr,Ba,Ce)3(CO3)5 |
| 5.278(16.78) | 200 | 6.060(14.61) | 160 | 4.236(20.95) | 120 | Kornerupine | (Mg,Fe++)4Al6(SiO4,BO4)5(O,OH)2 |
| 5.278(16.78) | 200 | 3.256(27.37) | 140 | 5.582(15.86) | 140 | Parsettensite | (K,Na,Ca)(Mn,Al)7Si8O20(OH)8·2(H2O) (?) |
| 5.280(16.78) | 200 | 5.878(15.06) | 200 | 22.800(3.87) | 200 | Raite | Na4Mn++4Si8(O,OH)24·9(H2O) |
| 5.280(16.78) | 200 | 7.020(12.60) | 200 | 5.140(17.24) | 100 | Kupletskite | K2Na(Mn,Fe++)7(Ti,Nb)2Si8O26(OH)4F |
| 5.280(16.78) | 200 | 5.420(16.34) | 190 | 10.840(8.15) | 140 | Mitscherlichite | K2CuCl4·2(H2O) |
| 5.280(16.78) | 200 | 6.620(13.36) | 200 | 10.560(8.37) | 200 | Iraqite-(La) | K(La,Ce,Th)2(Ca,Na)4(Si,Al)16O40 |
| 5.282(16.77) | 200 | 5.590(15.84) | 180 | 3.268(27.27) | 94 | Haggertyite | Ba[Fe++6Ti5Mg]O19 |
| 5.284(16.76) | 200 | 7.420(11.92) | 140 | 6.220(14.23) | 100 | Chlorophoenicite | (Mn,Mg)3Zn2(AsO4)(OH,O)6 |
| 5.286(16.76) | 200 | 4.744(18.69) | 160 | 2.840(31.47) | 140 | Urvantsevite | Pd(Bi,Pb)2 |
| 5.288(16.75) | 200 | 8.620(10.25) | 200 | 6.760(13.09) | 160 | Montroseite | (V+++,Fe+++,V++++)O(OH) |
| 5.288(16.75) | 200 | 7.220(12.25) | 180 | 7.520(11.76) | 180 | Tocornalite | (Ag,Hg)I (?) |
| 5.290(16.75) | 200 | 7.460(11.85) | 160 | 10.300(8.58) | 120 | Chukanovite | Fe2(CO3)(OH)2 |
| 5.294(16.73) | 200 | 6.142(14.41) | 160 | 9.784(9.03) | 110 | Trona | Na3(CO3)(HCO3)·2(H2O) |
| 5.294(16.73) | 200 | 3.694(24.07) | 160 | 5.200(17.04) | 160 | Oosterboschite | (Pd,Cu)7Se3 |
| 5.296(16.73) | 200 | 5.938(14.91) | 140 | 4.838(18.32) | 120 | Peterbaylissite | Hg+3(CO3)(OH)·2(H2O) |
| 5.298(16.72) | 200 | 6.108(14.49) | 90 | 6.098(14.51) | 80 | Nacaphite | Na(Na,Ca)2(PO4)F |
| 5.298(16.72) | 200 | 5.574(15.89) | 200 | 6.140(14.41) | 180 | Hatrurite | Ca3SiO5 |
| 5.300(16.71) | 200 | 3.906(22.75) | 180 | 3.132(28.47) | 120 | Xieite | FeCr2O4 |
| 5.300(16.71) | 100 | 5.480(16.16) | 80 | 9.280(9.52) | 60 | Bayankhanite | Cu6HgS4 |
| 5.300(16.71) | 200 | 3.826(23.23) | 110 | 9.940(8.89) | 60 | Tadzhikite-(Ce) | Ca4(Ce,Y)2(Ti,Al,Fe+++,[ ])2[Si4B4O22](OH)2 |
| 5.300(16.71) | 200 | 6.040(14.65) | 120 | 7.900(11.19) | 120 | Grechishchevite | Hg3S2(Br,Cl,I)2 |
| 5.300(16.71) | 200 | 3.440(25.88) | 80 | 4.220(21.03) | 80 | Bafertisite | Ba(Fe++,Mn)2TiSi2O7(O,OH)2 |
| 5.300(16.71) | 200 | 3.820(23.27) | 97 | 5.800(15.26) | 90 | Piergorite-(Ce) | Ca8Ce2(Al0.5 Fe+++0.5)([ ],Li,Be)2Si6B8O36(OH,F)2 |
| 5.300(16.71) | 200 | 4.320(20.54) | 180 | 5.000(17.72) | 120 | Borishanskiite | Pd1+x(As,Pb)2, x = 0-0.2 |
| 5.300(16.71) | 200 | 3.160(28.22) | 180 | 5.920(14.95) | 160 | Grossular | Ca3Al2(SiO4)3 |
| 5.300(16.71) | 200 | 4.320(20.54) | 180 | 4.500(19.71) | 100 | Polarite | Pd(Bi,Pb) |
| 5.300(16.71) | 200 | 5.560(15.93) | 100 | 14.380(6.14) | 100 | Brownmillerite | Ca2(Al,Fe+++)2O5 |
| 5.300(16.71) | 200 | 3.826(23.23) | 110 | 9.940(8.89) | 60 | Tadzhikite-(Y) | Ca4(Y,Ce)2(Ti,Al,Fe+++,[ ])2[Si4B4O22](OH)2 |
| 5.300(16.71) | 200 | 6.120(14.46) | 120 | 6.140(14.41) | 120 | Arzakite | Hg3S2(Br,Cl)2 |
| 5.300(16.71) | 200 | 7.380(11.98) | 180 | 5.800(15.26) | 160 | Clerite | MnSb2S4 |
| 5.302(16.71) | 200 | 4.352(20.39) | 80 | 4.362(20.34) | 80 | Ferrokinoshitalite | (Ba,K)(Fe++,Mg)3(Si2Al2)O10 (OH,F)2 |
| 5.302(16.71) | 200 | 8.760(10.09) | 120 | 9.930(8.90) | 120 | Manganostibite | (Mn++,Fe++)7(SbO4)(AsO4,SiO4)O4 |
| 5.302(16.71) | 200 | 6.540(13.53) | 184 | 5.160(17.17) | 182 | Kapustinite | Na5.5Mn0.25ZrSi6O16(OH)2 |
| 5.304(16.70) | 200 | 5.270(16.81) | 146 | 5.710(15.51) | 112 | Hellandite-(Ce) | (Ca3REE)4Ce2Al[ ]2[Si4 B4O22](OH)2 |
| 5.308(16.69) | 200 | 5.934(14.92) | 170 | 6.292(14.06) | 170 | IMA2002-034 | CdSO4·4(H2O) |
| 5.310(16.68) | 200 | 5.724(15.47) | 112 | 6.958(12.71) | 80 | Okayamalite | Ca2B2SiO7 |
| 5.310(16.68) | 200 | 5.998(14.76) | 200 | 6.606(13.39) | 180 | Strakhovite | NaBa3(Mn++,Mn+++)4Si6O19(OH)3 |
| 5.310(16.68) | 200 | 16.120(5.48) | 160 | 6.600(13.40) | 120 | Wattersite | Hg+4Hg++Cr++++++O6 |
| 5.312(16.68) | 200 | 6.220(14.23) | 200 | 10.600(8.33) | 200 | Berborite | Be2(BO3)(OH,F)·(H2O) |
| 5.314(16.67) | 200 | 4.892(18.12) | 160 | 15.127(5.84) | 160 | Zinalsite | Zn2AlSi2O5(OH)4·2(H2O) (?) |
| 5.314(16.67) | 200 | 5.214(16.99) | 160 | 6.608(13.39) | 140 | Combeite | Na2Ca2Si3O9 |
| 5.316(16.66) | 200 | 5.556(15.94) | 200 | 5.774(15.33) | 168 | Barentsite | Na7AlH2(CO3)4F4 |
| 5.320(16.65) | 200 | 3.922(22.65) | 180 | 3.622(24.56) | 160 | Nickeline | NiAs |
| 5.320(16.65) | 200 | 6.160(14.37) | 124 | 4.380(20.26) | 110 | Khanneshite | (NaCa)3(Ba,Sr,Ce,Ca)3(CO3)5 |
| 5.320(16.65) | 200 | 5.600(15.81) | 140 | 3.880(22.90) | 80 | Nagelschmidtite | Ca7(SiO4)3(PO4)2 |
| 5.320(16.65) | 200 | 6.640(13.32) | 200 | 5.140(17.24) | 160 | Bradleyite | Na3Mg(PO4)(CO3) |
| 5.320(16.65) | 200 | 5.220(16.97) | 150 | 6.580(13.45) | 80 | Gregoryite | (Na2,K2,Ca)CO3 |
| 5.320(16.65) | 200 | 3.560(24.99) | 80 | 4.820(18.39) | 80 | Ullmannite | NiSbS |
| 5.320(16.65) | 200 | 6.280(14.09) | 200 | 8.240(10.73) | 200 | Garronite | Na2Ca5Al12Si20O64·27(H2O) |
| 5.324(16.64) | 200 | 8.772(10.08) | 200 | 9.466(9.34) | 200 | Flinkite | Mn++2Mn+++(AsO4)(OH)4 |
| 5.324(16.64) | 200 | 4.070(21.82) | 160 | 4.580(19.36) | 160 | Fischesserite | Ag3AuSe2 |
| 5.324(16.64) | 200 | 5.354(16.54) | 200 | 4.836(18.33) | 190 | Arsenopyrite | FeAsS |
| 5.324(16.64) | 200 | 3.690(24.10) | 140 | 3.304(26.96) | 120 | Manganarsite | Mn++3As+++204(OH)4 |
| 5.324(16.64) | 200 | 5.672(15.61) | 180 | 3.144(28.36) | 100 | Tomichite | (V,Fe)4Ti3AsO13(OH) |
| 5.326(16.63) | 200 | 3.374(26.39) | 160 | 6.360(13.91) | 160 | Zenzenite | Pb3(Fe+++,Mn+++)4Mn++++3O15 |
| 5.326(16.63) | 200 | 5.460(16.22) | 200 | 4.518(19.63) | 160 | Bredigite | Ca7Mg(SiO4)4 |
| 5.328(16.62) | 200 | 7.274(12.16) | 120 | 7.524(11.75) | 120 | Capgaronnite | HgAg(Cl,Br,I)S |
| 5.328(16.62) | 200 | 5.170(17.14) | 140 | 10.700(8.26) | 140 | Hulsite | (Fe++,Mg)2(Fe+++,Sn)O2(BO3) |
| 5.328(16.62) | 200 | 4.258(20.84) | 170 | 4.244(20.91) | 32 | Nanpingite | Cs(Al,Mg,Fe++,Li)2(Si3Al)O10(OH,F)2 |
| 5.330(16.62) | 200 | 5.822(15.21) | 200 | 3.119(28.60) | 146 | IMA2009-010 | [Ba6(PO4)2(CO3)][Fe++7(OH)4Fe+++2O2(SiO3)8] |
| 5.332(16.61) | 200 | 6.114(14.48) | 190 | 12.640(6.99) | 190 | Oxammite | (NH4)2(C2O4)·(H2O) |
| 5.332(16.61) | 200 | 8.516(10.38) | 150 | 10.112(8.74) | 132 | Juangodoyite | Na2Cu(CO3)2 |
| 5.332(16.61) | 200 | 3.080(28.97) | 100 | 5.802(15.26) | 80 | Rondorfite | Ca8Mg(SiO4)4Cl2 |
| 5.332(16.61) | 200 | 5.172(17.13) | 80 | 7.274(12.16) | 80 | Monticellite | CaMgSiO4 |
| 5.334(16.61) | 200 | 5.964(14.84) | 156 | 4.870(18.20) | 84 | IMA2009-026 | (Mn++,Ca)3(V+++,Al)2(SiO4)3 |
| 5.338(16.59) | 200 | 7.820(11.31) | 120 | 3.576(24.88) | 100 | Jarosewichite | Mn++3Mn+++(AsO4)(OH)6 |
| 5.338(16.59) | 200 | 6.428(13.76) | 106 | 10.666(8.28) | 74 | Ellisite | Tl3AsS3 |
| 5.338(16.59) | 200 | 5.756(15.38) | 160 | 11.360(7.78) | 140 | Comancheite | Hg13(Cl,Br)8O9 |
| 5.340(16.59) | 200 | 5.280(16.78) | 180 | 13.420(6.58) | 120 | Natrofairchildite | Na2Ca(CO3)2 |
| 5.340(16.59) | 200 | 4.840(18.31) | 180 | 16.360(5.40) | 140 | Natrophosphate | Na7(PO4)2F·19(H2O) |
| 5.340(16.59) | 200 | 6.500(13.61) | 120 | 6.240(14.18) | 100 | Ilimaussite-(Ce) | (Ba,Na)10K3Na4.5Ce5(Nb,Ti)6[Si12O36][Si9O18(O,OH)24]O6 |
| 5.340(16.59) | 200 | 5.400(16.40) | 200 | 6.240(14.18) | 200 | Harmotome | (Ba,Na,K)1-2(Si,Al)8O16·6(H2O) |
| 5.342(16.58) | 200 | 3.780(23.52) | 126 | 6.174(14.33) | 58 | Carobbiite | KF |
| 5.346(16.57) | 200 | 5.920(14.95) | 200 | 9.620(9.19) | 180 | Clinotyrolite | Ca2Cu9[(As,S)O4]4(OH)10·10(H2O) |
| 5.348(16.56) | 200 | 5.386(16.44) | 200 | 12.300(7.18) | 120 | Ferrowyllieite | (Na,Ca,Mn)(Fe++,Mn)(Fe++,Fe+++,Mg)Al(PO4)3 |
| 5.348(16.56) | 200 | 5.386(16.44) | 200 | 12.300(7.18) | 120 | Wyllieite | (Na,Ca,Mn++)(Mn++,Fe++)(Fe++,Fe+++,Mg)Al(PO4)3 |
| 5.348(16.56) | 200 | 8.374(10.56) | 152 | 4.918(18.02) | 80 | Tychite | Na6Mg2(CO3)4(SO4) |
| 5.348(16.56) | 200 | 5.386(16.44) | 200 | 12.300(7.18) | 120 | Rosemaryite | (Na,Ca,Mn++)(Mn++,Fe++)(Fe+++,Fe++,Mg)Al(PO4)3 |
| 5.348(16.56) | 200 | 7.546(11.72) | 180 | 16.072(5.49) | 170 | Abenakiite-(Ce) | Na26REE6(SiO3)6(PO4)6(CO3)6(S++++O2)O |
| 5.350(16.56) | 200 | 5.766(15.35) | 180 | 7.920(11.16) | 140 | Imhofite | Tl6CuAs16S40 |
| 5.350(16.56) | 200 | 14.260(6.19) | 160 | 7.128(12.41) | 120 | Pyrosmalite-(Fe) | (Fe++,Mn)8Si6O15(OH,Cl)10 |
| 5.350(16.56) | 200 | 6.004(14.74) | 132 | 16.220(5.44) | 112 | Fluoro-sodic-pedrizite | NaLi2(Mg2Al2Li)S5Si8O22F2 |
| 5.352(16.55) | 200 | 6.460(13.70) | 120 | 19.600(4.50) | 120 | Johninnesite | Na2Mg4Mn++12(AsO4)2(Si12O35)(OH)6 |
| 5.352(16.55) | 200 | 7.380(11.98) | 200 | 14.762(5.98) | 200 | Srebrodolskite | Ca2Fe+++2O5 |
| 5.352(16.55) | 200 | 5.260(16.84) | 128 | 3.840(23.14) | 72 | Jagueite | Cu2Pd3Se4 |
| 5.352(16.55) | 5.790(15.29) | 6.632(13.34) | Berdesinskiite | V+++2TiO5 | |||
| 5.354(16.54) | 200 | 5.386(16.44) | 150 | 6.896(12.83) | 130 | Ferrorosemaryite | [ ]NaFe++Fe+++Al(PO4)3 |
| 5.360(16.53) | 200 | 8.360(10.57) | 180 | 4.940(17.94) | 160 | Ferrotychite | Na6Fe++2(SO4)(CO3)4 |
| 5.360(16.53) | 200 | 5.800(15.26) | 200 | 5.380(16.46) | 140 | Epidote | Ca2(Fe+++,Al)3(SiO4)3(OH) = Ca2(Fe,Al)Al2(SiO4)(Si2O7)O(OH) |
| 5.360(16.53) | 200 | 6.620(13.36) | 170 | 8.520(10.37) | 170 | Itoigawaite | SrAl2Si2O7(OH)2·(H2O) |
| 5.360(16.53) | 200 | 9.520(9.28) | 162 | 5.312(16.68) | 100 | Reppiaite | Mn++5[(V,As)O4]2(OH)4 |
| 5.360(16.53) | 200 | 4.160(21.34) | 80 | 11.800(7.49) | 64 | Molysite | Fe+++Cl3 |
| 5.362(16.52) | 200 | 5.692(15.56) | 160 | 3.165(28.17) | 100 | Graeserite | (Fe+++,Ti)4Ti3AsO13(OH) |
| 5.368(16.50) | 200 | 5.998(14.76) | 140 | 3.206(27.80) | 120 | Uvarovite | Ca3Cr2(SiO4)3 |
| 5.370(16.49) | 200 | 6.944(12.74) | 180 | 5.024(17.64) | 180 | Qingheiite | Na2(Mn++,Mg,Fe++)(Al,Fe+++)(PO4)3 |