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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.
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| D1 Å (2θ) |
I1 %) |
D2 Å (2θ) |
I2 (%) |
D3 Å (2θ) |
I3 (%) |
Mineral | Formula |
| 13.560(6.51) | 200 | 5.220(16.97) | 160 | 7.360(12.01) | 140 | Aurichalcite | (Zn,Cu)5(CO3)2(OH)6 |
| 13.580(6.50) | 200 | 11.980(7.37) | 180 | 6.100(14.51) | 90 | Spheniscidite | (NH4,K)(Fe+++,Al)2(PO4)2(OH)·2(H2O) |
| 13.580(6.50) | 200 | 15.000(5.89) | 32 | 17.940(4.92) | 32 | Symplesite | Fe++3(AsO4)2·8(H2O) |
| 13.580(6.50) | 200 | 6.122(14.46) | 140 | 11.980(7.37) | 140 | Leucophosphite | KFe+++2(PO4)2(OH)·2(H2O) |
| 13.580(6.50) | 200 | 6.780(13.05) | 62 | 10.360(8.53) | 18 | Nobleite | CaB6O9(OH)2·3(H2O) |
| 13.600(6.49) | 200 | 5.420(16.34) | 134 | 5.940(14.90) | 134 | Vivianite | Fe++3(PO4)2·8(H2O) |
| 13.620(6.48) | 200 | 10.800(8.18) | 180 | 17.360(5.09) | 180 | Liebigite | Ca2(UO2)(CO3)3·11(H2O) |
| 13.620(6.48) | 200 | 6.800(13.01) | 180 | 5.900(15.00) | 160 | Boltwoodite | HK(UO2)(SiO4)·1.5(H2O) |
| 13.620(6.48) | 200 | 5.698(15.54) | 180 | 5.966(14.84) | 160 | Rouseite | Pb2Mn++(As+++O3)2·2(H2O) |
| 13.620(6.48) | 200 | 4.478(19.81) | 160 | 10.166(8.69) | 160 | Paraotwayite | Ni(OH)2-x(SO4,CO3)0.5x x=.5 |
| 13.660(6.47) | 200 | 8.660(10.21) | 196 | 5.408(16.38) | 102 | Gravegliaite | Mn++(SO3)·3(H2O) |
| 13.680(6.46) | 200 | 11.340(7.79) | 160 | 5.474(16.18) | 120 | Otwayite | Ni2(CO3)(OH)2·(H2O) |
| 13.680(6.46) | 200 | 4.438(19.99) | 60 | 8.020(11.02) | 40 | Ernienickelite | NiMn++++3O7·3(H2O) |
| 13.740(6.43) | 200 | 5.120(17.31) | 180 | 6.100(14.51) | 160 | Tsepinite-K | (K,Ba,Na)2(Ti,Nb)2(Si4O12)(OH,O)2·3(H2O) |
| 13.740(6.43) | 200 | 5.414(16.36) | 160 | 5.516(16.05) | 160 | Gageite | (Mn,Mg,Zn)42Si16O54(OH)40 |
| 13.740(6.43) | 200 | 5.414(16.36) | 160 | 5.516(16.05) | 160 | Gageite-2M | (Mn,Mg,Zn)42Si16O54(OH)40 |
| 13.800(6.40) | 200 | 4.360(20.35) | 130 | 7.220(12.25) | 130 | Minguzzite | K3Fe+++(C2O4)3·3(H2O) |
| 13.800(6.40) | 200 | 6.760(13.09) | 160 | 23.200(3.81) | 160 | Zorite | Na6Ti5[Si12O34](O,OH)5·11(H2O) |
| 13.818(6.39) | 200 | 17.796(4.96) | 80 | 7.852(11.26) | 60 | Metakottigite | (Zn,Fe+++,Fe++)3(AsO4)2·8((H2O),OH) |
| 13.820(6.39) | 200 | 4.620(19.20) | 160 | 5.248(16.88) | 160 | Gerhardtite | Cu2(NO3)(OH)3 |
| 13.820(6.39) | 200 | 6.914(12.79) | 180 | 4.924(18.00) | 160 | Rouaite | Cu2(NO3)(OH)3 |
| 13.834(6.38) | 200 | 5.686(15.57) | 160 | 7.554(11.71) | 140 | Seamanite | Mn3(PO4)B(OH)6 |
| 13.840(6.38) | 200 | 8.300(10.65) | 160 | 7.360(12.01) | 140 | Chalconatronite | Na2Cu(CO3)2·3(H2O) |
| 13.840(6.38) | 200 | 6.894(12.83) | 160 | 4.752(18.66) | 70 | Manandonite | Li2Al4[(Si2AlB)O10](OH)8 |
| 13.840(6.38) | 200 | 4.046(21.95) | 196 | 7.192(12.30) | 110 | Yarlongite | (Cr4Fe4Ni)C4 |
| 13.842(6.38) | 200 | 11.740(7.52) | 180 | 7.064(12.52) | 56 | Hoganite | Cu(CH3COO)2·H2O |
| 13.860(6.37) | 200 | 6.640(13.32) | 180 | 8.760(10.09) | 120 | Caysichite-(Y) | Y2(Ca,Gd)2Si4O10(CO3)3(H2O,O,OH)·3H20 |
| 13.862(6.37) | 200 | 6.158(14.37) | 76 | 6.182(14.32) | 76 | Ezcurrite | Na4B10O17·7(H2O) |
| 13.870(6.37) | 200 | 10.684(8.27) | 142 | 9.112(9.70) | 82 | Erdite | NaFeS2·2(H2O) |
| 13.880(6.36) | 200 | 6.920(12.78) | 140 | 8.120(10.89) | 100 | Aurorite | (Mn,Ag,Ca)Mn++++3O7·3(H2O) |
| 13.880(6.36) | 200 | 6.940(12.74) | 60 | 5.400(16.40) | 50 | Posnjakite | Cu4(SO4)(OH)6·(H2O) |
| 13.900(6.35) | 200 | 6.620(13.36) | 160 | 8.460(10.45) | 120 | Bearsite | Be2(AsO4)(OH)·4(H2O) |
| 13.920(6.34) | 200 | 6.520(13.57) | 80 | 6.620(13.36) | 80 | Hydrotungstite | H2WO4·(H2O) |
| 13.920(6.34) | 200 | 6.920(12.78) | 150 | 10.300(8.58) | 60 | Hannayite | (NH4)2Mg3H4(PO4)4·8(H2O) |
| 13.920(6.34) | 200 | 7.000(12.64) | 120 | 8.160(10.83) | 100 | Chalcophanite | (Zn,Fe++,Mn++)Mn++++3O7·3(H2O) |
| 13.920(6.34) | 200 | 6.420(13.78) | 140 | 9.200(9.61) | 120 | Uranotungstite | (Fe++,Ba,Pb)(UO2)2WO4(OH)4·12(H2O) |
| 13.920(6.34) | 200 | 6.220(14.23) | 180 | 6.420(13.78) | 160 | Alsakharovite-Zn | NaSrKZn(Ti,Nb)4(Si4O12)2(O,OH)4·7(H2O) |
| 13.920(6.34) | 200 | 6.444(13.73) | 168 | 6.228(14.21) | 132 | Organovaite-Zn | K2Zn(Nb,Ti)4(Si4O12)2(O,OH)4·6(H2O) |
| 13.920(6.34) | 200 | 6.440(13.74) | 180 | 6.200(14.27) | 160 | Gjerdingenite-Mn | (K,Na)2(Mn,Fe)(Nb,Ti)4(Si4O12)2(O,OH)4·6(H2O) |
| 13.920(6.34) | 200 | 5.880(15.05) | 54 | 16.080(5.49) | 36 | Bobierrite | Mg3(PO4)2·8(H2O) |
| 13.930(6.34) | 200 | 4.460(19.89) | 46 | 6.966(12.70) | 22 | Jianshuiite | (Mg,Mn++)Mn++++3O7·3(H2O) |
| 13.930(6.34) | 200 | 6.688(13.23) | 140 | 7.200(12.28) | 140 | Margaritasite | (Cs,K,H3O)2(UO2)2V2O8·(H2O) |
| 13.960(6.33) | 200 | 11.700(7.55) | 100 | 17.620(5.01) | 100 | Metahaiweeite | Ca(UO2)2Si6O15·n(H2O), n<5 |
| 13.980(6.32) | 200 | 6.454(13.71) | 178 | 6.246(14.17) | 136 | Organovaite-Mn | K2Mn(Nb,Ti)4(Si4O12)2(O,OH)4·6(H2O) |
| 13.980(6.32) | 200 | 7.410(11.93) | 178 | 21.000(4.20) | 114 | Swaknoite | (NH4)2Ca(HPO4)2·(H2O) |
| 13.998(6.31) | 200 | 14.378(6.14) | 198 | 5.990(14.78) | 146 | Elyite | Pb4Cu(SO4)O2(OH)4·(H2O) |
| 14.000(6.31) | 200 | 6.556(13.49) | 180 | 8.480(10.42) | 120 | Moraesite | Be2(PO4)(OH)·4(H2O) |
| 14.020(6.30) | 200 | 16.380(5.39) | 160 | 6.040(14.65) | 140 | Manganohornesite | (Mn,Mg)3(AsO4)2·8(H2O) |
| 14.052(6.28) | 200 | 9.992(8.84) | 148 | 14.208(6.22) | 146 | Karupmollerite-Ca | (Na,Ca,K)2Ca(Nb,Ti)4(Si4O12)2(O,OH)4·7(H2O) |
| 14.060(6.28) | 200 | 7.040(12.56) | 140 | 5.300(16.71) | 80 | Fraipontite | (Zn,Al)3(Si,Al)2O5(OH)4 |
| 14.080(6.27) | 200 | 5.980(14.80) | 180 | 7.080(12.49) | 160 | Pentahydroborite | CaB2O(OH)6·2(H2O) |
| 14.080(6.27) | 200 | 6.006(14.74) | 168 | 6.304(14.04) | 160 | Santaclaraite | CaMn++4Si5O14(OH)2·(H2O) |
| 14.080(6.27) | 200 | 20.400(4.33) | 190 | 9.620(9.19) | 130 | Cobaltarthurite | CoFe+++2(AsO4)2(OH)2·4(H2O) |
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