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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 |
| 5.540(15.98) | 200 | 6.140(14.41) | 200 | 6.420(13.78) | 160 | Talmessite | Ca2Mg(AsO4)2·2(H2O) |
| 5.540(15.98) | 200 | 3.112(28.66) | 160 | 5.940(14.90) | 140 | Froodite | PdBi2 |
| 5.540(15.98) | 200 | 16.240(5.44) | 180 | 8.100(10.91) | 160 | Keystoneite | Mg0.5[Ni++Fe++(TeO3)3]·4.5(H2O) |
| 5.540(15.98) | 200 | 7.440(11.89) | 152 | 4.740(18.70) | 126 | Eldfellite | NaFe(SO4)2 |
| 5.540(15.98) | 200 | 5.248(16.88) | 188 | 3.254(27.39) | 112 | IMA2009-030 | BaFe+++12O19 |
| 5.540(15.98) | 200 | 5.260(16.84) | 100 | 4.780(18.55) | 80 | Petrovskaite | AuAg(S,Se) |
| 5.540(15.98) | 200 | 4.240(20.93) | 160 | 4.060(21.87) | 140 | Petzite | Ag3AuTe2 |
| 5.540(15.98) | 200 | 3.920(22.66) | 160 | 3.196(27.89) | 140 | Quadratite | Ag(Cd,Pb)AsS3 |
| 5.542(15.98) | 200 | 3.758(23.66) | 52 | 7.040(12.56) | 52 | Arsenic | As |
| 5.542(15.98) | 200 | 4.762(18.62) | 180 | 4.568(19.42) | 160 | Arsenohauchecornite | Ni18Bi3AsS16 |
| 5.544(15.97) | 200 | 5.848(15.14) | 130 | 5.960(14.85) | 130 | Rhodonite | (Mn++,Fe++,Mg,Ca)SiO3 |
| 5.544(15.97) | 200 | 4.580(19.36) | 160 | 5.016(17.67) | 160 | Nefedovite | Na5Ca4(PO4)4F |
| 5.546(15.97) | 200 | 6.860(12.89) | 110 | 4.260(20.83) | 90 | Lamprophyllite | Na2(Sr,Ba)2Ti3(SiO4)4(OH,F)2 |
| 5.548(15.96) | 200 | 3.924(22.64) | 100 | 6.400(13.83) | 100 | Chlorargyrite | AgCl |
| 5.548(15.96) | 200 | 5.600(15.81) | 194 | 7.694(11.49) | 178 | Chesnokovite | Na2[SiO2(OH)2]·8H2O |
| 5.548(15.96) | 200 | 5.904(14.99) | 110 | 5.848(15.14) | 76 | Armangite | Mn26As+++18O50(OH)4(CO3) |
| 5.548(15.96) | 200 | 7.460(11.85) | 200 | 6.460(13.70) | 180 | Merrihueite | (K,Na)2(Fe++,Mg)5Si12O30 |
| 5.548(15.96) | 200 | 5.986(14.79) | 180 | 5.082(17.44) | 140 | Jeffreyite | (Ca,Na)2(Be,Al)Si2(O,OH)7 |
| 5.548(15.96) | 200 | 5.678(15.59) | 200 | 7.928(11.15) | 120 | Bario-olgite | Na(Ba,Sr,Na,REE)PO4 |
| 5.552(15.95) | 200 | 5.234(16.93) | 122 | 4.982(17.79) | 122 | Wiluite | Ca19(Al,Mg,Fe,Ti)13(B,Al,[ ])5Si18O68(O,OH)10 |
| 5.552(15.95) | 200 | 6.020(14.70) | 200 | 12.320(7.17) | 200 | Ungursaite | NaCa5(Ta,Nb)24O65(OH) |
| 5.554(15.94) | 200 | 3.726(23.86) | 190 | 5.026(17.63) | 130 | Millerite | NiS |
| 5.556(15.94) | 200 | 4.318(20.55) | 180 | 3.630(24.50) | 140 | Achavalite | FeSe |
| 5.558(15.93) | 200 | 5.132(17.26) | 180 | 6.440(13.74) | 180 | Pyrargyrite | Ag3SbS3 |
| 5.558(15.93) | 200 | 6.216(14.24) | 88 | 3.324(26.80) | 80 | Schaferite | NaCa2Mg2(VO4)3 |
| 5.558(15.93) | 200 | 5.722(15.47) | 120 | 3.672(24.22) | 40 | Apatite-(CaCl) | Ca5(PO4)3Cl |
| 5.560(15.93) | 200 | 4.280(20.74) | 100 | 11.800(7.49) | 100 | Berndtite | SnS2 |
| 5.560(15.93) | 200 | 8.740(10.11) | 160 | 9.380(9.42) | 160 | Phosphosiderite | Fe+++PO4·2(H2O) |
| 5.560(15.93) | 200 | 3.880(22.90) | 100 | 6.920(12.78) | 100 | Cappelenite-(Y) | Ba(Y,Ce)6Si3B6O24F2 |
| 5.560(15.93) | 200 | 5.180(17.10) | 100 | 4.660(19.03) | 80 | Jimboite | Mn3B2O6 |
| 5.560(15.93) | 200 | 5.920(14.95) | 160 | 11.180(7.90) | 130 | Hinsdalite | (Pb,Sr)Al3(PO4)(SO4)(OH)6 |
| 5.560(15.93) | 200 | 7.400(11.95) | 180 | 12.240(7.22) | 180 | Tarbuttite | Zn2(PO4)(OH) |
| 5.560(15.93) | 200 | 5.140(17.24) | 180 | 3.490(25.50) | 160 | Pyrophanite | MnTiO3 |
| 5.560(15.93) | 200 | 5.160(17.17) | 160 | 7.560(11.70) | 160 | Burkeite | Na6(CO3)(SO4)2 |
| 5.560(15.93) | 200 | 16.700(5.29) | 180 | 3.460(25.73) | 160 | Nanlingite | CaMg4(AsO3)2F4 |
| 5.560(15.93) | 200 | 6.260(14.14) | 100 | 8.040(11.00) | 100 | Tritomite-(Y) | (Y,Ca,La,Fe++)5(Si,B,Al)3(O,OH,F)13 (?) |
| 5.560(15.93) | 200 | 3.844(23.12) | 180 | 5.340(16.59) | 160 | Kurchatovite | Ca(Mg,Mn,Fe++)B2O5 |
| 5.560(15.93) | 200 | 4.432(20.02) | 180 | 3.442(25.86) | 140 | Malinkoite | NaBSiO4 |
| 5.560(15.93) | 200 | 6.404(13.82) | 80 | 5.222(16.96) | 80 | Yazganite | NaFe+++2(Mg,Mn)(AsO4)3·H2O |
| 5.560(15.93) | 200 | 3.428(25.97) | 160 | 6.400(13.83) | 160 | Roselite-beta | Ca2(Co,Mg)(AsO4)2·2(H2O) |
| 5.562(15.92) | 200 | 6.160(14.37) | 160 | 5.500(16.10) | 140 | Gaitite | Ca2Zn(AsO4)2·2(H2O) |
| 5.564(15.92) | 200 | 7.502(11.79) | 162 | 5.753(15.39) | 154 | Catalanoite | Na2H(PO4)· 8(H2O) |
| 5.566(15.91) | 200 | 9.320(9.48) | 146 | 6.356(13.92) | 102 | Thenardite | Na2SO4 |
| 5.566(15.91) | 200 | 6.000(14.75) | 136 | 5.900(15.00) | 126 | Byelorussite-(Ce) | NaBa2(Ce,La)2Mn++Ti2Si8O26(F,OH)·(H2O) |
| 5.572(15.89) | 200 | 7.200(12.28) | 180 | 3.118(28.61) | 100 | Bicchulite | Ca2Al2SiO6(OH)2 |
| 5.576(15.88) | 200 | 7.886(11.21) | 140 | 4.552(19.48) | 130 | Shandite | Pb2Ni3S2 |
| 5.578(15.87) | 200 | 3.370(26.43) | 160 | 6.420(13.78) | 160 | Fukuchilite | Cu3FeS8 |
| 5.580(15.87) | 200 | 7.040(12.56) | 160 | 7.360(12.01) | 140 | Galeite | Na15(SO4)5F4Cl |
| 5.580(15.87) | 200 | 5.120(17.31) | 160 | 7.220(12.25) | 160 | Phosgenite | Pb2(CO3)Cl2 |
| 5.580(15.87) | 200 | 6.780(13.05) | 100 | 8.040(11.00) | 60 | IMA2009-002 | Cu3(AsO4)2 |
| 5.580(15.87) | 200 | 3.468(25.67) | 160 | 7.180(12.32) | 120 | Siderite | Fe++CO3 |
| 5.580(15.87) | 200 | 8.000(11.05) | 160 | 8.300(10.65) | 160 | Vladimirite | Ca5(AsO3OH)2(AsO4)2·5(H2O) |
| 5.580(15.87) | 200 | 4.600(19.28) | 120 | 4.780(18.55) | 120 | Hauchecornite | Ni9Bi(Sb,Bi)S8 |
| 5.586(15.85) | 200 | 6.980(12.67) | 180 | 7.420(11.92) | 180 | Kuliokite-(Y) | (Y,REE)4Al(SiO4)2(OH)2F5 |
| 5.586(15.85) | 200 | 2.798(31.96) | 140 | 5.662(15.64) | 50 | Herzenbergite | SnS |
| 5.588(15.85) | 200 | 6.012(14.72) | 160 | 6.056(14.61) | 160 | Brenkite | Ca2(CO3)F2 |
| 5.590(15.84) | 200 | 5.752(15.39) | 180 | 6.580(13.45) | 180 | Keyite | Cu++3(Zn,Cu)4Cd2(AsO4)6·2(H2O) |
| 5.590(15.84) | 200 | 5.488(16.14) | 190 | 5.560(15.93) | 180 | Larnite | Ca2SiO4 |
| 5.592(15.83) | 200 | 6.278(14.10) | 130 | 6.880(12.86) | 130 | Axinite-(Mg) | Ca2MgAl2BO3Si4O12(OH) |
| 5.594(15.83) | 200 | 19.740(4.47) | 192 | 6.900(12.82) | 180 | Nabalamprophyllite | Ba(Na,Ba){Na3Ti[Ti2O2Si4O14](OH,F)2} |
| 5.594(15.83) | 200 | 6.880(12.86) | 160 | 13.140(6.72) | 160 | Natrochalcite | NaCu2(SO4)2(OH)·(H2O) |
| 5.596(15.82) | 200 | 5.682(15.58) | 176 | 6.316(14.01) | 160 | Baumstarkite | Ag3(Sb,As)2SbS6 |
| 5.598(15.82) | 200 | 5.352(16.55) | 160 | 6.928(12.77) | 154 | Colimaite | K3VS4 |
| 5.598(15.82) | 200 | 6.090(14.53) | 200 | 6.186(14.31) | 160 | Clinokurchatovite | Ca(Mg,Fe++,Mn)B2O5 |
| 5.600(15.81) | 200 | 7.600(11.63) | 200 | 11.700(7.55) | 70 | Bazirite | BaZrSi3O9 |
| 5.600(15.81) | 200 | 11.160(7.92) | 140 | 5.900(15.00) | 36 | Joaquinite-(Ce) | NaFe++Ba2Ce2(Ti,Nb)2[Si4O12]2O2(OH,F)·(H2O) |
| 5.600(15.81) | 200 | 7.100(12.46) | 200 | 18.200(4.85) | 120 | Synchysite-(Ce) | CaCe(CO3)2F |
| 5.600(15.81) | 6.220(14.23) | 8.060(10.97) | Suolunite | Ca2Si2O5(OH)2·(H2O) | |||
| 5.600(15.81) | 200 | 4.628(19.16) | 120 | 4.810(18.43) | 100 | Tellurohauchecornite | Ni9BiTeS8 |
| 5.600(15.81) | 200 | 11.160(7.92) | 134 | 5.900(15.00) | 34 | Orthojoaquinite-(La) | Ba2Na(La,Ce)2Fe++Ti2Si8O26(OH,O,F)·H2O |
| 5.600(15.81) | 200 | 5.120(17.31) | 180 | 3.340(26.67) | 160 | Manganberzeliite | (Ca,Na)3(Mn,Mg)2(AsO4)3 |
| 5.600(15.81) | 200 | 6.000(14.75) | 180 | 6.200(14.27) | 180 | Yuksporite | (Sr,Ba)2K4(Ca,Na)14([ ],Mn,Fe){(Ti,Nb)4(O,OH)4[Si6O17]2[Si2O7]3}(H2O,OH)n, n~3 |
| 5.600(15.81) | 200 | 3.890(22.84) | 60 | 7.420(11.92) | 60 | Nadorite | PbSbO2Cl |
| 5.600(15.81) | 200 | 5.404(16.39) | 120 | 5.544(15.97) | 110 | Apatite-(CaF) | Ca5(PO4)3F |
| 5.602(15.81) | 200 | 5.934(14.92) | 144 | 6.002(14.75) | 96 | Strontio-orthojoaquinite | (Na,Fe++)2Ba2Sr2Ti2[Si4O12]2(O,OH)2·(H2O) |
| 5.602(15.81) | 200 | 5.574(15.89) | 160 | 14.620(6.04) | 160 | Ponomarevite | K4Cu++4OCl10 |
| 5.602(15.81) | 200 | 5.934(14.92) | 144 | 6.002(14.75) | 96 | Strontiojoaquinite | (Na,Fe++)2Ba2Sr2Ti2[Si4O12]2(O,OH)2·(H2O) |
| 5.602(15.81) | 200 | 5.622(15.75) | 200 | 13.160(6.71) | 180 | Vitusite-(Ce) | Na3(Ce,La,Nd)(PO4)2 |
| 5.606(15.80) | 200 | 5.116(17.32) | 120 | 6.264(14.13) | 110 | Palenzonaite | (Ca,Na)3Mn++(V+++++,As+++++,Si)3O12 |
| 5.606(15.80) | 200 | 5.440(16.28) | 140 | 7.680(11.51) | 110 | Nahpoite | Na2HPO4 |
| 5.610(15.78) | 200 | 5.406(16.38) | 160 | 4.132(21.49) | 120 | Mattagamite | CoTe2 |
| 5.612(15.78) | 200 | 3.532(25.19) | 160 | 5.226(16.95) | 160 | Melanostibite | Mn(Sb+++++,Fe+++)O3 |
| 5.614(15.77) | 200 | 6.768(13.07) | 190 | 6.234(14.20) | 180 | Dansite | Na21Mg(SO4)10Cl3 |
| 5.614(15.77) | 200 | 7.380(11.98) | 194 | 7.280(12.15) | 190 | Kudriavite | (Cd,Pb)Bi2S4 |
| 5.614(15.77) | 200 | 4.268(20.80) | 130 | 11.142(7.93) | 124 | IMA2009-027 | (Fe,Mg)Al12O19 |
| 5.618(15.76) | 200 | 6.054(14.62) | 200 | 6.216(14.24) | 200 | Calciocopiapite | CaFe+++4(SO4)6(OH)2·19(H2O) |
| 5.618(15.76) | 200 | 18.780(4.70) | 180 | 5.840(15.16) | 140 | Lunokite | (Mn,Ca)(Mg,Fe++,Mn)Al(PO4)2(OH)·4(H2O) |
| 5.620(15.76) | 200 | 4.840(18.31) | 80 | 10.540(8.38) | 80 | Childrenite | Fe++Al(PO4)(OH)2·(H2O) |
| 5.620(15.76) | 200 | 3.680(24.16) | 80 | 6.880(12.86) | 80 | Tritomite-(Ce) | (Ce,La,Ca,Y,Th)5(Si,B)3(O,OH,F)13 |
| 5.620(15.76) | 200 | 3.680(24.16) | 80 | 6.880(12.86) | 80 | Melanocerite-(Ce) | (Ce,Th,Ca)5(Si,B)3O12(OH,F)·n(H2O) (?) |
| 5.620(15.76) | 200 | 3.510(25.35) | 120 | 2.874(31.09) | 100 | Reidite | ZrSiO4 |
| 5.620(15.76) | 200 | 6.100(14.51) | 160 | 15.220(5.80) | 100 | Olshanskyite | Ca2[B3O3(OH)6]OH·3(H2O) |
| 5.620(15.76) | 200 | 5.500(16.10) | 180 | 5.460(16.22) | 160 | Britholite-(Y) | (Y,Ca)5(SiO4,PO4)3(OH,F) |
| 5.620(15.76) | 200 | 4.840(18.31) | 80 | 10.540(8.38) | 80 | Eosphorite | MnAl(PO4)(OH)2·(H2O) |
| 5.620(15.76) | 200 | 5.420(16.34) | 140 | 4.140(21.45) | 100 | Frohbergite | FeTe2 |
| 5.620(15.76) | 200 | 5.180(17.10) | 180 | 4.060(21.87) | 160 | Seinajokite | (Fe,Ni)(Sb,As)2 |
| 5.622(15.75) | 200 | 5.840(15.16) | 160 | 8.300(10.65) | 160 | Zabuyelite | Li2CO3 |
| 5.622(15.75) | 200 | 6.180(14.32) | 160 | 7.220(12.25) | 140 | Parabrandtite | Ca2Mn++(AsO4)·2(H2O) |
| 5.624(15.74) | 200 | 6.920(12.78) | 160 | 12.600(7.01) | 140 | Tinzenite | (Ca,Mn,Fe)3Al2BO3Si4O12(OH) |
| 5.624(15.74) | 200 | 6.264(14.13) | 200 | 6.514(13.58) | 200 | Kornite | Na(CaNa)Fe++4(Al,Fe+++)Si7AlO22(OH)2 |