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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 |
| 5.596(15.82) | 200 | 5.682(15.58) | 176 | 6.316(14.01) | 160 | Baumstarkite | Ag3(Sb,As)2SbS6 |
| 5.598(15.82) | 200 | 6.090(14.53) | 200 | 6.186(14.31) | 160 | Clinokurchatovite | Ca(Mg,Fe++,Mn)B2O5 |
| 5.598(15.82) | 200 | 5.352(16.55) | 160 | 6.928(12.77) | 154 | Colimaite | K3VS4 |
| 5.600(15.81) | 6.220(14.23) | 8.060(10.97) | Suolunite | Ca2Si2O5(OH)2·(H2O) | |||
| 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 | 4.628(19.16) | 120 | 4.810(18.43) | 100 | Tellurohauchecornite | Ni9BiTeS8 |
| 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 | 5.120(17.31) | 180 | 3.340(26.67) | 160 | Manganberzeliite | (Ca,Na)3(Mn,Mg)2(AsO4)3 |
| 5.600(15.81) | 200 | 7.100(12.46) | 200 | 18.200(4.85) | 120 | Synchysite-(Ce) | CaCe(CO3)2F |
| 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 |
| 5.600(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 |
| 5.602(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 | 5.622(15.75) | 200 | 13.160(6.71) | 180 | Vitusite-(Ce) | Na3(Ce,La,Nd)(PO4)2 |
| 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) |
| 5.606(15.80) | 200 | 5.440(16.28) | 140 | 7.680(11.51) | 110 | Nahpoite | Na2HPO4 |
| 5.606(15.80) | 200 | 5.116(17.32) | 120 | 6.264(14.13) | 110 | Palenzonaite | (Ca,Na)3Mn++(V+++++,As+++++,Si)3O12 |
| 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 | 4.268(20.80) | 130 | 11.142(7.93) | 124 | IMA2009-027 | (Fe,Mg)Al12O19 |
| 5.614(15.77) | 200 | 7.380(11.98) | 194 | 7.280(12.15) | 190 | Kudriavite | (Cd,Pb)Bi2S4 |
| 5.614(15.77) | 200 | 6.768(13.07) | 190 | 6.234(14.20) | 180 | Dansite | Na21Mg(SO4)10Cl3 |
| 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 | 5.420(16.34) | 140 | 4.140(21.45) | 100 | Frohbergite | FeTe2 |
| 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 | 4.840(18.31) | 80 | 10.540(8.38) | 80 | Eosphorite | MnAl(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 | 5.180(17.10) | 180 | 4.060(21.87) | 160 | Seinajokite | (Fe,Ni)(Sb,As)2 |
| 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 | 3.510(25.35) | 120 | 2.874(31.09) | 100 | Reidite | ZrSiO4 |
| 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 | Melanocerite-(Ce) | (Ce,Th,Ca)5(Si,B)3O12(OH,F)·n(H2O) (?) |
| 5.622(15.75) | 200 | 6.180(14.32) | 160 | 7.220(12.25) | 140 | Parabrandtite | Ca2Mn++(AsO4)·2(H2O) |
| 5.622(15.75) | 200 | 5.840(15.16) | 160 | 8.300(10.65) | 160 | Zabuyelite | Li2CO3 |
| 5.624(15.74) | 200 | 6.320(14.00) | 180 | 6.920(12.78) | 160 | Axinite-(Fe) | Ca2Fe++Al2BO3Si4O12(OH) |
| 5.624(15.74) | 200 | 5.916(14.96) | 200 | 6.012(14.72) | 200 | Kombatite | Pb14(VO4)2O9Cl4 |
| 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 |
| 5.624(15.74) | 200 | 5.980(14.80) | 200 | 6.140(14.41) | 200 | Jeppeite | (K,Ba)2(Ti,Fe+++)6O13 |
| 5.624(15.74) | 200 | 6.920(12.78) | 160 | 12.600(7.01) | 140 | Tinzenite | (Ca,Mn,Fe)3Al2BO3Si4O12(OH) |
| 5.626(15.74) | 200 | 11.260(7.85) | 180 | 5.720(15.48) | 140 | Criddleite | TlAg2Au3Sb10S10 |
| 5.626(15.74) | 200 | 3.792(23.44) | 150 | 6.096(14.52) | 130 | Covellite | CuS |
| 5.628(15.73) | 200 | 5.440(16.28) | 120 | 5.556(15.94) | 120 | Apatite-(CaOH) | Ca5(PO4)3(OH) |
| 5.628(15.73) | 200 | 6.034(14.67) | 140 | 7.280(12.15) | 130 | Fillowite | Na2Ca(Mn,Fe++)7(PO4)6 |
| 5.628(15.73) | 200 | 6.154(14.38) | 200 | 7.260(12.18) | 180 | Gillulyite | Tl2(As,Sb)8S13 |
| 5.634(15.72) | 200 | 5.010(17.69) | 160 | 7.494(11.80) | 160 | Stanfieldite | Ca4(Mg,Fe++,Mn)5(PO4)6 |
| 5.634(15.72) | 200 | 8.720(10.14) | 160 | 5.188(17.08) | 140 | Weloganite | Sr3Na2Zr(CO3)6·3(H2O) |
| 5.636(15.71) | 200 | 7.300(12.11) | 180 | 3.488(25.52) | 160 | Tusionite | MnSn++++(BO3)2 |
| 5.638(15.70) | 200 | 6.154(14.38) | 160 | 6.418(13.79) | 120 | Joosteite | (Mn++,Mn+++,Fe+++)2(PO4)O |
| 5.640(15.70) | 200 | 6.880(12.86) | 180 | 4.234(20.96) | 100 | Trimounsite-(Y) | (Y,REE)2Ti2SiO9 |
| 5.640(15.70) | 200 | 6.880(12.86) | 200 | 5.820(15.21) | 200 | Franckeite | (Pb,Sn)6Fe++Sn2Sb2S14 |
| 5.640(15.70) | 200 | 6.420(13.78) | 160 | 5.440(16.28) | 120 | Smithite | AgAsS2 |
| 5.640(15.70) | 200 | 6.020(14.70) | 180 | 12.060(7.32) | 110 | Rhabdophane-(Ce) | (Ce,La)PO4·(H2O) |
| 5.640(15.70) | 200 | 10.000(8.84) | 200 | 10.800(8.18) | 200 | Atacamite | Cu2Cl(OH)3 |
| 5.640(15.70) | 200 | 3.930(22.61) | 60 | 5.740(15.42) | 60 | Sergeevite | Ca2Mg11(CO3)9(HCO3)4(OH)4·6(H2O) |
| 5.640(15.70) | 200 | 6.480(13.65) | 180 | 6.740(13.12) | 180 | Borodaevite | Ag5(Bi,Sb)9S16 |
| 5.640(15.70) | 200 | 6.240(14.18) | 200 | 8.020(11.02) | 160 | Mcbirneyite | Cu3(VO4)2 |
| 5.640(15.70) | 200 | 6.440(13.74) | 80 | 3.880(22.90) | 60 | Aramayoite | Ag3Sb2(Sb,Bi)S6 |
| 5.640(15.70) | 200 | 5.740(15.42) | 160 | 12.420(7.11) | 160 | Warikahnite | Zn3(AsO4)2·2(H2O) |
| 5.640(15.70) | 200 | 6.540(13.53) | 140 | 3.922(22.65) | 120 | Schirmerite | Ag3Pb3Bi9S18 to Ag3Pb6Bi7S18 |
| 5.640(15.70) | 200 | 4.900(18.09) | 76 | 2.970(30.06) | 66 | Cleusonite | Pb(U++++,U++++++)(Ti,Fe++,Fe+++)20(O,OH)38 |
| 5.640(15.70) | 200 | 3.098(28.79) | 120 | 3.840(23.14) | 100 | Melonite | NiTe2 |
| 5.640(15.70) | 200 | 5.140(17.24) | 140 | 5.760(15.37) | 140 | Sursassite | Mn++2Al3(SiO4)(Si2O7)(OH)3 |
| 5.642(15.69) | 200 | 7.240(12.21) | 150 | 6.200(14.27) | 130 | Cascandite | Ca(Sc,Fe++)Si3O8(OH) |
| 5.642(15.69) | 200 | 3.988(22.27) | 110 | 3.256(27.37) | 30 | Halite | NaCl |
| 5.642(15.69) | 200 | 5.102(17.37) | 160 | 5.612(15.78) | 140 | Dellaite | Ca6Si3O11(OH)2 |
| 5.642(15.69) | 200 | 5.974(14.82) | 128 | 6.274(14.10) | 66 | Pyrophosphite | K2CaP2O7 |
| 5.644(15.69) | 200 | 6.726(13.15) | 100 | 6.236(14.19) | 54 | Sicherite | TlAg2(As,Sb)3S6 |
| 5.646(15.68) | 200 | 7.174(12.33) | 172 | 5.556(15.94) | 168 | Jentschite | TlPbAs2SbS6 |
| 5.648(15.68) | 200 | 6.060(14.61) | 160 | 5.448(16.26) | 120 | Killalaite | 2Ca3Si2O7·(H2O) |
| 5.650(15.67) | 200 | 3.810(23.33) | 196 | 5.158(17.18) | 162 | Milotaite | PdSbSe |
| 5.650(15.67) | 200 | 5.920(14.95) | 200 | 14.280(6.18) | 160 | Alluaivite | Na19(Ca,Mn++)6(Ti,Nb)3(Si3O9)2(Si10O28)2Cl·2(H2O) |
| 5.652(15.67) | 200 | 5.204(17.02) | 112 | 4.668(19.00) | 66 | Natroxalate | Na2C2O4 |
| 5.652(15.67) | 200 | 5.550(15.96) | 116 | 5.474(16.18) | 92 | IMA2009-005 | (Y,Ca,REE)5[(Si,P)O4]3F |
| 5.654(15.66) | 200 | 6.600(13.40) | 160 | 4.060(21.87) | 120 | Matildite | AgBiS2 |
| 5.656(15.65) | 200 | 18.620(4.74) | 180 | 10.680(8.27) | 120 | Segelerite | CaMgFe+++(PO4)2(OH)·4(H2O) |
| 5.658(15.65) | 200 | 5.672(15.61) | 160 | 4.876(18.18) | 100 | Ernstite | (Mn++1-xFe+++x)Al(PO4)(OH)2-xOx |
| 5.658(15.65) | 200 | 4.540(19.54) | 180 | 5.062(17.51) | 142 | Mineevite-(Y) | Na25Ba(Y,Gd,Dy)2(HCO3)4(CO3)11(SO4)2ClF2 |
| 5.660(15.64) | 200 | 6.960(12.71) | 160 | 5.960(14.85) | 140 | Freieslebenite | AgPbSbS3 |
| 5.660(15.64) | 200 | 4.840(18.31) | 180 | 5.840(15.16) | 160 | Jadeite | Na(Al,Fe+++)Si2O6 |
| 5.660(15.64) | 200 | 3.420(26.03) | 160 | 2.180(41.38) | 120 | Vaesite | NiS2 |
| 5.660(15.64) | 200 | 5.690(15.56) | 60 | 4.018(22.10) | 56 | Barioperovskite | BaTiO3 |
| 5.660(15.64) | 200 | 5.500(16.10) | 160 | 6.300(14.05) | 140 | Cafarsite | Ca8(Ti,Fe++,Fe+++,Mn)6-7(As+++O3)12·4(H2O) |
| 5.660(15.64) | 200 | 5.706(15.52) | 126 | 5.130(17.27) | 110 | Ternesite | Ca5(SiO4)2SO4 |
| 5.660(15.64) | 200 | 4.220(21.03) | 180 | 3.560(24.99) | 160 | Landauite | NaMnZn2(Ti,Fe+++)6Ti12O38 |
| 5.660(15.64) | 200 | 3.340(26.67) | 160 | 4.720(18.78) | 140 | Linnaeite | Co++Co+++2S4 |
| 5.660(15.64) | 200 | 6.220(14.23) | 200 | 5.080(17.44) | 180 | Minasgeraisite-(Y) | CaY2Be2Si2O10 |
| 5.660(15.64) | 200 | 6.360(13.91) | 180 | 13.220(6.68) | 180 | Afwillite | Ca3Si2O4(OH)6 |
| 5.660(15.64) | 200 | 5.980(14.80) | 200 | 4.280(20.74) | 100 | Tristramite | (Ca,U++++,Fe+++)(PO4,SO4)·2(H2O) |
| 5.660(15.64) | 200 | 5.360(16.53) | 120 | 3.386(26.30) | 100 | Arseniopleite | (Ca,Na)(Na,Pb)Mn++(Mn++,Mg,Fe++)2(AsO4)3 |
| 5.660(15.64) | 200 | 6.120(14.46) | 140 | 4.240(20.93) | 120 | Sinjarite | CaCl2·2(H2O) |
| 5.660(15.64) | 200 | 6.260(14.14) | 200 | 5.120(17.31) | 180 | Gadolinite-(Y) | Y2Fe++Be2Si2O10 |
| 5.660(15.64) | 200 | 6.520(13.57) | 180 | 3.996(22.23) | 160 | Cuboargyrite | AgSbS |
| 5.660(15.64) | 200 | 3.556(25.02) | 180 | 3.680(24.16) | 160 | Lomonosovite | Na5Ti2O2(Si2O7)(PO4) |
| 5.662(15.64) | 200 | 5.002(17.72) | 140 | 5.132(17.26) | 100 | Fayalite | Fe++2SiO4 |
| 5.662(15.64) | 200 | 6.096(14.52) | 140 | 7.820(11.31) | 120 | Skinnerite | Cu3SbS3 |
| 5.662(15.64) | 4.000(22.21) | 3.262(27.32) | Hapkeite | Fe2Si | |||
| 5.664(15.63) | 200 | 6.484(13.65) | 84 | 5.230(16.94) | 70 | Jasmundite | Ca11(SiO4)4O2S |