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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 |
| 5.988(14.78) | 200 | 6.836(12.94) | 176 | 6.960(12.71) | 128 | Marrucciite | Hg3Pb16Sb18S46 |
| 5.988(14.78) | 200 | 5.532(16.01) | 160 | 6.452(13.71) | 120 | Wendwilsonite | Ca2(Mg,Co)(AsO4)2·2(H2O) |
| 5.990(14.78) | 200 | 6.860(12.89) | 140 | 3.428(25.97) | 120 | Bukovite | Tl2Cu3FeSe4 |
| 5.992(14.77) | 200 | 28.580(3.09) | 200 | 12.780(6.91) | Lintisite | Na3LiTi2Si4O14·2(H2O) | |
| 5.992(14.77) | 200 | 5.070(17.48) | 94 | 5.162(17.16) | 84 | Grossmanite | CaTi+++AlSiO6 |
| 5.992(14.77) | 200 | 16.800(5.26) | 200 | 10.400(8.50) | 120 | Francevillite | (Ba,Pb)(UO2)2V2O8·5(H2O) |
| 5.992(14.77) | 200 | 6.346(13.94) | 140 | 7.004(12.63) | 140 | Stibivanite | Sb+++2V++++O5 |
| 5.992(14.77) | 200 | 5.908(14.98) | 190 | 9.680(9.13) | 130 | Hubnerite | MnWO4 |
| 5.994(14.77) | 200 | 3.136(28.44) | 180 | 3.676(24.19) | 180 | Bismutomicrolite | (Bi,Ca)(Ta,Nb)2O6(OH) |
| 5.994(14.77) | 200 | 5.906(14.99) | 190 | 5.648(15.68) | 180 | Bario-orthojoaquinite | Fe++2(Ba,Sr)4Ti2[Si4O12]O2·(H2O) |
| 5.996(14.76) | 200 | 11.980(7.37) | 154 | 3.666(24.26) | 80 | Bartonite | K3Fe10S14 |
| 5.998(14.76) | 200 | 6.504(13.60) | 182 | 6.566(13.47) | 178 | Zincgartrellite | Pb(Zn,Fe,Cu)2(AsO4)2(OH,H2O)2 |
| 5.998(14.76) | 200 | 3.666(24.26) | 80 | 3.188(27.96) | 40 | Watanabeite | Cu4(As,Sb)2S5 |
| 6.000(14.75) | 200 | 6.380(13.87) | 180 | 5.760(15.37) | 160 | Arsenpolybasite | [Ag9CuS4] [(Ag,Cu)6(As,Sb)2S7] |
| 6.000(14.75) | 200 | 5.680(15.59) | 180 | 6.220(14.23) | 100 | Antimonpearceite | [Ag9CuS4] [(Ag,Cu)6(Sb,As)2S7] |
| 6.000(14.75) | 200 | 6.540(13.53) | 200 | 5.560(15.93) | 180 | Arsenbrackebuschite | Pb2(Fe++,Zn)(AsO4)2·(H2O) |
| 6.000(14.75) | 200 | 5.640(15.70) | 120 | 6.280(14.09) | 60 | Xanthoconite | Ag3AsS3 |
| 6.000(14.75) | 200 | 5.680(15.59) | 180 | 6.220(14.23) | 100 | Pearceite | [Ag9CuS4] [(Ag,Cu)6(As,Sb)2S7] |
| 6.000(14.75) | 200 | 3.676(24.19) | 120 | 3.136(28.44) | 100 | Pyrochlore | (Na,Ca)2Nb2O6(OH,F) |
| 6.000(14.75) | 200 | 5.914(14.97) | 194 | 7.324(12.07) | 106 | Heftetjernite | ScTaO4 |
| 6.000(14.75) | 200 | 5.052(17.54) | 140 | 5.920(14.95) | 120 | Esseneite | CaFe+++AlSiO6 |
| 6.000(14.75) | 200 | 3.700(24.03) | 150 | 13.440(6.57) | 200 | Cavoite | CaV3O7 |
| 6.000(14.75) | 200 | 4.820(18.39) | 140 | 13.400(6.59) | 140 | Liebauite | Ca3Cu5Si9O26 |
| 6.000(14.75) | 200 | 10.680(8.27) | 120 | 7.240(12.21) | 110 | Teschemacherite | (NH4)HCO3 |
| 6.000(14.75) | 200 | 7.560(11.70) | 110 | 4.144(21.42) | 70 | Selenium | Se |
| 6.000(14.75) | 180 | 4.854(18.26) | 100 | 5.040(17.58) | 100 | Kurilite | (Ag,Au)2(Te,Se,S) |
| 6.000(14.75) | 200 | 11.500(7.68) | 140 | 7.040(12.56) | 120 | Osarizawaite | PbCuAl2(SO4)2(OH)6 |
| 6.000(14.75) | 200 | 9.960(8.87) | 200 | 8.120(10.89) | 160 | Spiroffite | (Mn,Zn)2Te3O8 |
| 6.000(14.75) | 200 | 6.520(13.57) | 120 | 5.880(15.05) | 110 | Jagowerite | BaAl2(PO4)2(OH)2 |
| 6.000(14.75) | 200 | 5.080(17.44) | 180 | 3.440(25.88) | 160 | Blakeite | Fe2(TeO3)3 |
| 6.000(14.75) | 200 | 3.662(24.29) | 120 | 3.126(28.53) | 60 | Tetrahedrite | (Cu,Fe)12Sb4S13 |
| 6.000(14.75) | 200 | 5.900(15.00) | 140 | 7.340(12.05) | 140 | Wodginite | Mn++(Sn,Ta)(Ta,Nb)2O8 |
| 6.000(14.75) | 200 | 6.440(13.74) | 160 | 10.200(8.66) | 120 | Zincroselite | Ca2Zn(AsO4)2·2(H2O) |
| 6.000(14.75) | 200 | 6.380(13.87) | 180 | 5.760(15.37) | 160 | Polybasite | [Ag9CuS4] [(Ag,Cu)6(Sb,As)2S7] |
| 6.002(14.75) | 200 | 8.520(10.37) | 174 | 6.666(13.27) | 172 | Anglesite | PbSO4 |
| 6.004(14.74) | 200 | 4.912(18.04) | 188 | 4.874(18.19) | 172 | Zincolivenite | CuZn(AsO4)(OH) |
| 6.004(14.74) | 200 | 3.212(27.75) | 190 | 4.516(19.64) | 140 | Gramaccioliite-(Y) | (Pb,Sr)(Y,Mn)Fe2(Ti,Fe)18O38 |
| 6.004(14.74) | 200 | 11.506(7.68) | 160 | 7.032(12.58) | 140 | Gorceixite | BaAl3(PO4)(PO3OH)(OH)6 |
| 6.008(14.73) | 200 | 5.322(16.64) | 160 | 6.576(13.45) | 74 | Strontiowhitlockite | Sr7(Mg,Ca)3(PO4)6[PO3(OH)] |
| 6.010(14.73) | 200 | 6.190(14.30) | 170 | 5.790(15.29) | 130 | Tilleyite | Ca5Si2O7(CO3)2 |
| 6.010(14.73) | 200 | 16.380(5.39) | 200 | 8.200(10.78) | 160 | Curienite | Pb(UO2)2V2O8·5(H2O) |
| 6.012(14.72) | 200 | 7.010(12.62) | 200 | 12.400(7.12) | 200 | Grumantite | NaHSi2O5·(H2O) |
| 6.012(14.72) | 200 | 6.534(13.54) | 142 | 6.084(14.55) | 132 | Tiragalloite | Mn++4As+++++Si3O12(OH) |
| 6.012(14.72) | 200 | 5.614(15.77) | 170 | 12.000(7.36) | 140 | Bassanite | 2CaSO4·(H2O) |
| 6.014(14.72) | 200 | 5.420(16.34) | 140 | 10.200(8.66) | 120 | Panethite | (Na,Ca,K)2(Mg,Fe++,Mn)2(PO4)2 |
| 6.016(14.71) | 200 | 11.440(7.72) | 180 | 6.746(13.11) | 120 | Deanesmithite | Hg+2Hg++3Cr++++++O5S2 |
| 6.018(14.71) | 200 | 5.862(15.10) | 138 | 5.940(14.90) | 72 | Nioboaeschynite-(Y) | [(Y,REE),Ca,Th,Fe](Nb,Ti,Ta)2(O,OH)6 |
| 6.018(14.71) | 200 | 28.980(3.05) | 180 | 9.630(9.18) | 160 | Kukisvumite | Na6ZnTi4Si8O28·4(H2O) |
| 6.019(14.71) | 200 | 5.369(16.50) | 140 | 6.385(13.86) | 82 | Arrojadite-(SrFe) | SrFe++Na2Ca(Fe++,Mn,Mg)13Al(PO4)11(PO3OH)(OH,F)2 |
| 6.020(14.70) | 200 | 5.420(16.34) | 160 | 3.576(24.88) | 60 | Maslovite | PtBiTe |
| 6.020(14.70) | 200 | 3.680(24.16) | 160 | 3.150(28.31) | 120 | Uranpyrochlore | (U,Ca,Ce)2(Nb,Ta)2O6(OH,F) |
| 6.020(14.70) | 200 | 6.482(13.65) | 140 | 6.746(13.11) | 110 | Brandtite | Ca2(Mn,Mg)(AsO4)2·2(H2O) |
| 6.020(14.70) | 200 | 5.700(15.53) | 120 | 5.780(15.32) | 120 | Niocalite | Ca14Nb2(Si2O7)4O6F2 |
| 6.020(14.70) | 200 | 5.826(15.20) | 180 | 6.380(13.87) | 180 | Lithiomarsturite | LiCa2Mn2HSi5O15 |
| 6.020(14.70) | 200 | 3.666(24.26) | 140 | 5.200(17.04) | 140 | Bismutostibiconite | Bi(Sb+++++,Fe+++)2O7 |
| 6.020(14.70) | 200 | 5.168(17.14) | 110 | 7.660(11.54) | 100 | Titantaramellite | Ba4(Ti,Fe+++,Fe++,Mg)4(B2Si8O27)O2Clx X=0 TO 1, with Ti > Fe |
| 6.020(14.70) | 200 | 11.600(7.61) | 160 | 7.080(12.49) | 140 | Weilerite | BaAl3H[(As,P)O4]2(OH)6 |
| 6.020(14.70) | 200 | 4.200(21.14) | 120 | 3.542(25.12) | 40 | Cherepanovite | RhAs |
| 6.020(14.70) | 200 | 3.940(22.55) | 150 | 4.380(20.26) | 140 | Strontiochevkinite | (Sr,REE)4Fe(Ti,Zr)2Ti2Si4O22 |
| 6.020(14.70) | 200 | 6.362(13.91) | 102 | 5.356(16.54) | 84 | Arrojadite-(BaFe) | (Ba,K,Pb)Na3(Ca,Sr)(Fe++,Mg,Mn)14Al(PO4)11(PO3OH)(OH,F)2 |
| 6.020(14.70) | 200 | 3.688(24.11) | 180 | 3.146(28.35) | 160 | Tantite | Ta2O5 |
| 6.020(14.70) | 200 | 5.960(14.85) | 180 | 12.620(7.00) | 160 | Baylissite | K2Mg(CO3)2·4(H2O) |
| 6.020(14.70) | 200 | 5.508(16.08) | 120 | 6.340(13.96) | 120 | Mazzettiite | Ag3HgPbSbTe5 |
| 6.020(14.70) | 200 | 5.168(17.14) | 110 | 7.660(11.54) | 100 | Taramellite | Ba4(Fe+++,Ti,Fe++,Mg)4(B2Si8O27)O2Clx (x=0 to 1) |
| 6.020(14.70) | 200 | 6.320(14.00) | 140 | 5.634(15.72) | 80 | Gorgeyite | K2Ca5(SO4)6·(H2O) |
| 6.020(14.70) | 200 | 6.280(14.09) | 180 | 12.060(7.32) | 160 | Stibiomicrolite | (Sb,Ca,Na)2(Ta,Nb)2(O,OH)7 |
| 6.020(14.70) | 200 | 3.700(24.03) | 50 | 5.220(16.97) | 36 | Bindheimite | Pb2Sb2O6(O,OH) |
| 6.022(14.70) | 200 | 6.744(13.12) | 154 | 5.500(16.10) | 124 | Brendelite | (Bi,Pb)2Fe(PO4)(O,OH)3 |
| 6.022(14.70) | 200 | 4.912(18.04) | 160 | 5.094(17.39) | 160 | Nchwaningite | Mn++2SiO3(OH)2·(H2O) |
| 6.022(14.70) | 200 | 20.300(4.35) | 176 | 6.638(13.33) | 150 | Cerchiaraite | Ba4(Mn,Fe,Al)4Si6(O,OH,Cl)26 |
| 6.024(14.69) | 200 | 5.930(14.93) | 160 | 7.890(11.21) | 120 | Perroudite | Hg5Ag4S5(I,Br)2Cl2 |
| 6.028(14.68) | 200 | 5.640(15.70) | 130 | 6.038(14.66) | 102 | Omongwaite | Na2Ca5(SO4)6·3H2O |
| 6.028(14.68) | 200 | 6.300(14.05) | 38 | 5.568(15.90) | 36 | Riversideite | Ca5Si6O16(OH)2·2(H2O) |
| 6.030(14.68) | 200 | 6.468(13.68) | 200 | 6.676(13.25) | 200 | Olsacherite | Pb2(SeO4)(SO4) |
| 6.030(14.68) | 200 | 11.440(7.72) | 190 | 7.600(11.63) | 144 | Cobaltomenite | CoSeO3·2(H2O) |
| 6.030(14.68) | 200 | 5.312(16.68) | 70 | 7.720(11.45) | 70 | Norsethite | BaMg(CO3)2 |
| 6.030(14.68) | 200 | 3.692(24.08) | 118 | 3.148(28.33) | 94 | Fluornatromicrolite | (Na,Ca,Bi)2Ta2O6F |
| 6.032(14.67) | 200 | 7.622(11.60) | 156 | 6.630(13.34) | 96 | Krieselite | (Al,Ga)2(Ge,C)O4 (OH)2 |
| 6.034(14.67) | 200 | 5.068(17.48) | 150 | 15.240(5.79) | 90 | Esperite | PbCa3Zn4(SiO4)4 |
| 6.036(14.66) | 200 | 5.840(15.16) | 166 | 5.764(15.36) | 104 | Dmitryivanovite | CaAl2O4 |
| 6.036(14.66) | 200 | 7.148(12.37) | 150 | 11.160(7.92) | 140 | Namibite | Cu++Bi2(VO4)O2 |
| 6.037(14.66) | 200 | 5.396(16.41) | 110 | 6.416(13.79) | 86 | Arrojadite-(PbFe) | PbFe++Na2Ca(Fe++,Mn,Mg)13Al(PO4)11(PO3OH)(OH,F)2 |
| 6.040(14.65) | 200 | 7.100(12.46) | 160 | 11.680(7.56) | 160 | Arsenogorceixite | BaAl3AsO3(OH)(AsO4,PO4)(OH,F)6 |
| 6.040(14.65) | 200 | 11.820(7.47) | 180 | 5.740(15.42) | 160 | Umbite | K2ZrSi3O9·(H2O) |
| 6.040(14.65) | 200 | 6.060(14.61) | 120 | 5.184(17.09) | 56 | Nagashimalite | Ba4(V+++,Ti)4Si8B2O27Cl(O,OH)2 |
| 6.040(14.65) | 200 | 5.556(15.94) | 180 | 3.112(28.66) | 160 | Natrotantite | Na2Ta4O11 |
| 6.040(14.65) | 200 | 3.700(24.03) | 140 | 5.220(16.97) | 140 | Stetefeldtite | Ag2Sb2O6(O,OH) |
| 6.040(14.65) | 200 | 5.982(14.80) | 160 | 6.408(13.81) | 110 | Scawtite | Ca7Si6(CO3)O18·2(H2O) |
| 6.040(14.65) | 200 | 5.660(15.64) | 160 | 8.800(10.04) | 160 | Rhabdophane-(La) | (La,Ce)PO4·(H2O) |
| 6.040(14.65) | 200 | 3.726(23.86) | 100 | 5.320(16.65) | 80 | Canfieldite | Ag8SnS6 |
| 6.040(14.65) | 200 | 4.000(22.21) | 180 | 4.140(21.45) | 180 | Garrelsite-VIII | Ba3NaSi2B7O16(OH)4 |
| 6.040(14.65) | 200 | 5.074(17.46) | 160 | 5.920(14.95) | 80 | Petedunnite | Ca(Zn,Mn++,Fe++,Mg)Si2O6 |
| 6.040(14.65) | 200 | 11.640(7.59) | 180 | 7.120(12.42) | 160 | Philipsbornite | PbAl3(AsO4)2(OH)5·(H2O) |
| 6.040(14.65) | 200 | 3.012(29.63) | 120 | 5.620(15.76) | 120 | Nagyagite | AuPb(Sb,Bi)Te2-3S6 |
| 6.040(14.65) | 200 | 4.260(20.83) | 160 | 5.620(15.76) | 160 | Ningyoite | (U,Ca,Ce)2(PO4)2·1-2(H2O) |
| 6.040(14.65) | 200 | 3.162(28.20) | 180 | 3.722(23.89) | 180 | Plumbopyrochlore | (Pb,Y,U,Ca)2-xNb2O6(OH) |
| 6.044(14.64) | 200 | 7.020(12.60) | 200 | 5.230(16.94) | 180 | Davanite | K2TiSi6O15 |
| 6.044(14.64) | 200 | 8.680(10.18) | 100 | 4.410(20.12) | 60 | Ikunolite | Bi4(S,Se)3 |
| 6.046(14.64) | 200 | 10.080(8.77) | 186 | 5.992(14.77) | 100 | Ammonioalunite | (NH4)Al3(SO4)2(OH)6 |
| 6.048(14.63) | 200 | 3.704(24.01) | 160 | 3.162(28.20) | 140 | Sinnerite | Cu6As4S9 |