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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 |
| 6.036(14.66) | 200 | 7.148(12.37) | 150 | 11.160(7.92) | 140 | Namibite | Cu++Bi2(VO4)O2 |
| 6.036(14.66) | 200 | 5.840(15.16) | 166 | 5.764(15.36) | 104 | Dmitryivanovite | CaAl2O4 |
| 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 | 4.000(22.21) | 180 | 4.140(21.45) | 180 | Garrelsite-VIII | Ba3NaSi2B7O16(OH)4 |
| 6.040(14.65) | 200 | 3.162(28.20) | 180 | 3.722(23.89) | 180 | Plumbopyrochlore | (Pb,Y,U,Ca)2-xNb2O6(OH) |
| 6.040(14.65) | 200 | 3.700(24.03) | 140 | 5.220(16.97) | 140 | Stetefeldtite | Ag2Sb2O6(O,OH) |
| 6.040(14.65) | 200 | 5.660(15.64) | 160 | 8.800(10.04) | 160 | Rhabdophane-(La) | (La,Ce)PO4·(H2O) |
| 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 | 3.726(23.86) | 100 | 5.320(16.65) | 80 | Canfieldite | Ag8SnS6 |
| 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 | 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 | 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 | 3.012(29.63) | 120 | 5.620(15.76) | 120 | Nagyagite | AuPb(Sb,Bi)Te2-3S6 |
| 6.040(14.65) | 200 | 5.982(14.80) | 160 | 6.408(13.81) | 110 | Scawtite | Ca7Si6(CO3)O18·2(H2O) |
| 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 |
| 6.049(14.63) | 200 | 8.840(1-) | 182 | 6.986(12.66) | 176 | Ximengite | BiPO4 |
| 6.051(14.63) | 200 | 6.413(13.80) | 200 | 5.595(15.83) | 100 | Fergusonite-beta-(Nd) | (Nd,Ce)NbO4 |
| 6.056(14.61) | 200 | 5.784(15.31) | 190 | 5.960(14.85) | 176 | IMA2009-036 | Ag2PbBi4Se8 |
| 6.056(14.61) | 200 | 4.100(21.66) | 146 | 5.422(16.33) | 132 | Trembathite | (Mg,Fe++)3B7O13Cl |
| 6.058(14.61) | 200 | 5.560(15.93) | 180 | 6.164(14.36) | 180 | Irtyshite | Na2(Ta,Nb)4O11 |
| 6.060(14.61) | 200 | 5.920(14.95) | 120 | 5.840(15.16) | 100 | Hedyphane | Ca2Pb3(AsO4)3Cl |
| 6.060(14.61) | 200 | 5.938(14.91) | 140 | 5.870(15.08) | 120 | Morelandite | (Ba,Ca,Pb)5(AsO4,PO4)3Cl |
| 6.060(14.61) | 200 | 7.120(12.42) | 160 | 11.680(7.56) | 140 | Arsenogoyazite | (Sr,Ca,Ba)Al3(AsO4,PO4)2(OH,F)5·(H2O) |
| 6.060(14.61) | 200 | 3.708(23.98) | 160 | 3.182(28.02) | 120 | Chalcopyrite | CuFeS2 |
| 6.060(14.61) | 200 | 5.660(15.64) | 140 | 8.740(10.11) | 140 | Brockite | (Ca,Th,Ce)(PO4)·(H2O) |
| 6.060(14.61) | 200 | 3.708(23.98) | 160 | 3.182(28.02) | 120 | Kharaelakhite | (Pt,Cu,Pb,Fe,Ni)9S8 |
| 6.060(14.61) | 200 | 3.716(23.93) | 180 | 5.256(16.85) | 160 | Natrobistantite | (Na,Cs)Bi(Ta,Nb,Sb)4O12 |
| 6.060(14.61) | 200 | 3.098(28.79) | 180 | 4.858(18.25) | 180 | Ferrosaponite | Ca0.3(Fe++,Mg,Fe+++)3(Si,Al)4O10(OH)2·4(H2O) |
| 6.060(14.61) | 200 | 3.020(29.55) | 160 | 3.836(23.17) | 140 | Cooperite | (Pt,Pd,Ni)S |
| 6.060(14.61) | 200 | 4.460(19.89) | 120 | 2.808(31.84) | 80 | Paraguanajuatite | Bi2(Se,S)3 |
| 6.060(14.61) | 200 | 6.500(13.61) | 150 | 6.720(13.16) | 150 | Kerstenite | PbSeO4 (?) |
| 6.060(14.61) | 200 | 11.720(7.54) | 130 | 4.474(19.83) | 110 | Corkite | PbFe+++3(PO4)(SO4)(OH)6 |
| 6.060(14.61) | 200 | 6.254(14.15) | 176 | 6.472(13.67) | 168 | Sazykinaite-(Y) | Na5YZrSi6018·6(H2O) |
| 6.060(14.61) | 200 | 4.220(21.03) | 160 | 5.880(15.05) | 100 | Muthmannite | AgAuTe2 |
| 6.060(14.61) | 200 | 6.000(14.75) | 180 | 5.360(16.53) | 160 | Miharaite | Cu4FePbBiS6 |
| 6.060(14.61) | 200 | 6.480(13.65) | 160 | 3.730(23.84) | 120 | Lisiguangite | CuPtBiS3 |
| 6.060(14.61) | 200 | 4.622(19.19) | 50 | 3.796(23.42) | 32 | Nitratine | NaNO3 |
| 6.060(14.61) | 200 | 4.920(18.01) | 140 | 7.100(12.46) | 140 | Fenaksite | (K,Na,Ca)4(Fe++,Fe+++,Mn)2Si8O20(OH,F) |
| 6.060(14.61) | 200 | 4.220(21.03) | 140 | 5.880(15.05) | 120 | Krennerite | AuTe2 |
| 6.060(14.61) | 200 | 4.940(17.94) | 140 | 5.600(15.81) | 140 | Billingsleyite | Ag7AsS6 |
| 6.060(14.61) | 200 | 6.460(13.70) | 160 | 6.700(13.20) | 160 | Clinoferrosilite | (Fe++,Mg)2Si2O6 |
| 6.060(14.61) | 200 | 12.080(7.31) | 160 | 6.360(13.91) | 130 | Bariomicrolite | Ba(Ta,Nb)2(O,OH)7 |
| 6.060(14.61) | 200 | 6.880(12.86) | 200 | 7.560(11.70) | 180 | Marialite | Na4Al3Si9O24Cl |
| 6.060(14.61) | 200 | 14.540(6.07) | 200 | 7.520(11.76) | 200 | Laplandite-(Ce) | Na4CeTiPSi7O22·5(H2O) |
| 6.060(14.61) | 200 | 15.180(5.82) | 140 | 4.572(19.40) | 50 | Inyoite | Ca2B6O6(OH)10·8(H2O) |
| 6.060(14.61) | 200 | 4.580(19.36) | 66 | 3.498(25.44) | 60 | Carlinite | Tl2S |
| 6.060(14.61) | 200 | 5.760(15.37) | 180 | 6.700(13.20) | 120 | Finnemanite | Pb5(As+++O3)3Cl |
| 6.060(14.61) | 200 | 4.200(21.14) | 180 | 5.860(15.11) | 120 | Kostovite | CuAuTe4 |
| 6.062(14.60) | 200 | 6.064(14.60) | 200 | 6.422(13.78) | 95 | Fluorarrojadite-(BaFe) | (Ba,K,Pb)Na3(Ca,Sr)(Fe++,Mg,Mn)14Al(PO4)11(PO3OH)(F,OH)2 |
| 6.064(14.60) | 200 | 7.238(12.22) | 160 | 5.190(17.07) | 120 | Parafransoletite | Ca3Be2(PO4)2(PO3,OH)2·4(H2O) |
| 6.064(14.60) | 200 | 5.406(16.38) | 136 | 6.422(13.78) | 94 | Fluorarrojadite-(BaNa) | BaFe++Na2Ca(Fe++,Mn,Mg)13Al(PO4)11(PO3OH)(F,OH)2 |
| 6.064(14.60) | 200 | 7.020(12.60) | 200 | 17.580(5.02) | 160 | Piretite | Ca(UO2)3(SeO3)2(OH)4-4(H2O) |
| 6.068(14.59) | 200 | 5.430(16.31) | 160 | 5.170(17.14) | 60 | Xenophyllite | Na4Fe7(PO4)6 |
| 6.070(14.58) | 200 | 4.190(21.19) | 36 | 4.570(19.41) | 36 | Calcite | CaCO3 |
| 6.072(14.58) | 200 | 6.030(14.68) | 140 | 5.788(15.30) | 120 | Natron | Na2CO3·10(H2O) |
| 6.072(14.58) | 200 | 3.514(25.32) | 160 | 10.580(8.35) | 140 | Zajacite-(Ce) | Na(REExCa1-x)(REEyCa1-y)F6 where (x ne y) |
| 6.072(14.58) | 200 | 6.686(13.23) | 120 | 14.446(6.11) | 100 | Choloalite | CuPb(Te++++O3)2 |
| 6.074(14.57) | 200 | 6.152(14.39) | 180 | 7.122(12.42) | 180 | Reedmergnerite | NaBSi3O8 |
| 6.076(14.57) | 200 | 5.086(17.42) | 150 | 5.958(14.86) | 150 | Jervisite | (Na,Ca,Fe++)(Sc,Mg,Fe++)Si2O6 |
| 6.076(14.57) | 200 | 5.928(14.93) | 182 | 9.670(9.14) | 182 | Rynersonite | Ca(Ta,Nb)2O6 |
| 6.076(14.57) | 200 | 11.700(7.55) | 180 | 7.180(12.32) | 80 | Gallobeudantite | PbGa3[(AsO4),(SO4)]2(OH)6 |
| 6.078(14.56) | 200 | 5.128(17.28) | 94 | 5.238(16.91) | 80 | Davisite | Ca(Sc,Ti+++,Mg,Ti++++)AlSiO6 |
| 6.078(14.56) | 200 | 10.640(8.30) | 160 | 5.446(16.26) | 120 | Fianelite | Mn++2V+++++(V+++++,As+++++)O7·2(H2O) |
| 6.080(14.56) | 200 | 6.360(13.91) | 140 | 5.952(14.87) | 100 | Oboyerite | Pb6H6(Te++++O3)3(Te++++++O6)2·2(H2O) |
| 6.080(14.56) | 200 | 8.580(10.30) | 180 | 6.340(13.96) | 160 | Cornetite | Cu3(PO4)(OH)3 |
| 6.080(14.56) | 200 | 5.848(15.14) | 166 | 15.250(5.79) | 156 | Mrazekite | Bi+++2Cu++3(PO4)2O2(OH)2·2(H2O) |
| 6.080(14.56) | 200 | 6.700(13.20) | 178 | 10.820(8.16) | 132 | Studenitsite | NaCa2[B9O14(OH)4]·2(H2O) |
| 6.080(14.56) | 200 | 6.340(13.96) | 200 | 6.580(13.45) | 140 | Sarkinite | Mn++2(AsO4)(OH) |
| 6.080(14.56) | 200 | 5.364(16.51) | 180 | 5.426(16.32) | 160 | Collinsite | Ca2(Mg,Fe++)(PO4)2·2(H2O) |
| 6.080(14.56) | 200 | 4.280(20.74) | 160 | 5.640(15.70) | 160 | Grayite | (Th,Pb,Ca)PO4·(H2O) |
| 6.080(14.56) | 200 | 7.340(12.05) | 200 | 4.916(18.03) | 150 | Peprossiite-(Ce) | (Ce,La)(Al3O)2/3B4O10 |
| 6.080(14.56) | 200 | 5.440(16.28) | 160 | 7.360(12.01) | 140 | Quenselite | PbMn+++O2(OH) |
| 6.080(14.56) | 200 | 6.344(13.95) | 130 | 12.360(7.15) | 100 | Parabariomicrolite | BaTa4O10(OH)2·2H20 |
| 6.080(14.56) | 200 | 4.120(21.55) | 140 | 5.440(16.28) | 120 | Ericaite | (Fe++,Mg,Mn)3B7O13Cl |
| 6.080(14.56) | 200 | 4.192(21.18) | 160 | 2.596(34.52) | 140 | Babkinite | Pb2Bi2(S,Se)3 |
| 6.082(14.55) | 200 | 6.924(12.77) | 132 | 6.172(14.34) | 108 | Newberyite | Mg(PO3OH)·3(H2O) |
| 6.084(14.55) | 200 | 5.428(16.32) | 170 | 6.444(13.73) | 90 | Arrojadite | KNa4CaMn++4Fe++10Al(PO4)12(OH,F)2 |
| 6.086(14.54) | 200 | 3.758(23.66) | 180 | 3.196(27.89) | 140 | Talnakhite | Cu9(Fe,Ni)8S16 |
| 6.088(14.54) | 200 | 3.728(23.85) | 76 | 5.274(16.80) | 74 | Avicennite | Tl2O3 |
| 6.088(14.54) | 200 | 6.940(12.74) | 180 | 6.640(13.32) | 140 | Fransoletite | H2Ca3Be2(PO4)4·4(H2O) |
| 6.088(14.54) | 200 | 12.180(7.25) | 160 | 3.728(23.85) | 140 | Bariopyrochlore | (Ba,Sr)(Nb,Ti)2(O,OH)7 |
| 6.090(14.53) | 200 | 4.546(19.51) | 104 | 13.660(6.47) | 72 | Yttrotungstite-(Ce) | (Ce,Nd,Y)W2O6(OH)3 |
| 6.090(14.53) | 200 | 6.570(13.47) | 180 | 9.980(8.85) | 100 | Tavorite | LiFe+++(PO4)(OH) |
| 6.092(14.53) | 200 | 4.140(21.45) | 180 | 4.320(20.54) | 180 | Nyerereite | Na2Ca(CO3)2 |
| 6.092(14.53) | 200 | 3.710(23.97) | 180 | 3.184(28.00) | 140 | Luzonite | Cu3AsS4 |
| 6.096(14.52) | 200 | 5.146(17.22) | 86 | 6.050(14.63) | 86 | Johannsenite | CaMnSi2O6 |
| 6.098(14.51) | 200 | 7.524(11.75) | 42 | 3.054(29.22) | 30 | Fersmite | (Ca,Ce,Na)(Nb,Ta,Ti)2(O,OH,F)6 |
| 6.098(14.51) | 200 | 10.836(8.15) | 184 | 5.418(16.35) | 178 | Melonjosephite | CaFe++Fe+++(PO4)2(OH) |
| 6.098(14.51) | 200 | 5.670(15.62) | 168 | 16.440(5.37) | 142 | Altisite | Na3K6Ti2Al2Si8O26Cl3 |
| 6.099(14.51) | 200 | 4.327(20.51) | 142 | 5.091(17.40) | 126 | Pasavaite | Pd3Pb2Te2 |
| 6.100(14.51) | 200 | 5.382(16.46) | 143 | 11.723(7.53) | 58 | Arrojadite-(KNa) | KNa4Ca(Fe,Mn,Mg)13Al(PO4)11(PO3OH)(OH,F)2 |
| 6.100(14.51) | 200 | 3.736(23.80) | 180 | 3.186(27.98) | 140 | Giraudite | (Cu,Zn,Ag)12(As,Sb)4(Se,S)13 |
| 6.100(14.51) | 200 | 6.440(13.74) | 180 | 14.000(6.31) | 140 | Gutkovaite-Mn | CaK2Mn(Ti,Nb)4(Si4O12)2(O,OH)4·5(H2O) |
| 6.100(14.51) | 200 | 6.812(12.99) | 200 | 8.000(11.05) | 200 | Calciouranoite | (Ca,Ba,Pb)U2O7·5(H2O) |