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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 |
| 6.068(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 | 11.700(7.55) | 180 | 7.180(12.32) | 80 | Gallobeudantite | PbGa3[(AsO4),(SO4)]2(OH)6 |
| 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 | 5.086(17.42) | 150 | 5.958(14.86) | 150 | Jervisite | (Na,Ca,Fe++)(Sc,Mg,Fe++)Si2O6 |
| 6.078(14.56) | 200 | 10.640(8.30) | 160 | 5.446(16.26) | 120 | Fianelite | Mn++2V+++++(V+++++,As+++++)O7·2(H2O) |
| 6.078(14.56) | 200 | 5.128(17.28) | 94 | 5.238(16.91) | 80 | Davisite | Ca(Sc,Ti+++,Mg,Ti++++)AlSiO6 |
| 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 | 6.340(13.96) | 200 | 6.580(13.45) | 140 | Sarkinite | Mn++2(AsO4)(OH) |
| 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 | 5.364(16.51) | 180 | 5.426(16.32) | 160 | Collinsite | Ca2(Mg,Fe++)(PO4)2·2(H2O) |
| 6.080(14.56) | 200 | 4.192(21.18) | 160 | 2.596(34.52) | 140 | Babkinite | Pb2Bi2(S,Se)3 |
| 6.080(14.56) | 200 | 5.440(16.28) | 160 | 7.360(12.01) | 140 | Quenselite | PbMn+++O2(OH) |
| 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 | 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 | 4.280(20.74) | 160 | 5.640(15.70) | 160 | Grayite | (Th,Pb,Ca)PO4·(H2O) |
| 6.080(14.56) | 200 | 6.700(13.20) | 178 | 10.820(8.16) | 132 | Studenitsite | NaCa2[B9O14(OH)4]·2(H2O) |
| 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 | 3.710(23.97) | 180 | 3.184(28.00) | 140 | Luzonite | Cu3AsS4 |
| 6.092(14.53) | 200 | 4.140(21.45) | 180 | 4.320(20.54) | 180 | Nyerereite | Na2Ca(CO3)2 |
| 6.096(14.52) | 200 | 5.146(17.22) | 86 | 6.050(14.63) | 86 | Johannsenite | CaMnSi2O6 |
| 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 | 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 | 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 | 3.724(23.87) | 140 | 5.280(16.78) | 100 | Freibergite | (Ag,Cu,Fe)12(Sb,As)4S13 |
| 6.100(14.51) | 200 | 4.186(21.21) | 160 | 4.438(19.99) | 160 | Paradocrasite | Sb2(Sb,As)2 |
| 6.100(14.51) | 200 | 3.284(27.13) | 80 | 5.422(16.33) | 80 | Ferripedrizite | NaLi2(Fe+++2Mg2Li)Si8O22(OH)2 |
| 6.100(14.51) | 200 | 16.540(5.34) | 180 | 5.374(16.48) | 60 | Ferroglaucophane | [ ]Na2(Fe++3Al2)Si8O22(OH)2 |
| 6.100(14.51) | 200 | 3.748(23.72) | 180 | 3.194(27.91) | 120 | Putoranite | Cu1.1Fe1.2S2 |
| 6.100(14.51) | 200 | 6.812(12.99) | 200 | 8.000(11.05) | 200 | Calciouranoite | (Ca,Ba,Pb)U2O7·5(H2O) |
| 6.100(14.51) | 200 | 7.280(12.15) | 160 | 4.060(21.87) | 120 | Garrelsite-V | Ba3NaSi2B7O16(OH)4 |
| 6.100(14.51) | 200 | 6.480(13.65) | 180 | 8.480(10.42) | 160 | Bruggenite | Ca(IO3)2·(H2O) |
| 6.100(14.51) | 200 | 6.460(13.70) | 180 | 6.260(14.14) | 140 | Emplectite | CuBiS2 |
| 6.100(14.51) | 200 | 3.178(28.05) | 160 | 3.732(23.82) | 160 | Stannomicrolite | (Sn++,Fe++,Mn++)(Ta,Nb,Sn++++)2(O,OH)7 |
| 6.100(14.51) | 200 | 4.160(21.34) | 134 | 5.740(15.42) | 132 | Bobfergusonite | Na2Mn++5Fe+++Al(PO4)6 |
| 6.100(14.51) | 200 | 8.520(10.37) | 200 | 13.200(6.69) | 180 | Armstrongite | CaZrSi6O15·3(H2O) |
| 6.100(14.51) | 200 | 4.180(21.24) | 180 | 4.480(19.80) | 180 | Kotulskite | Pd(Te,Bi) |
| 6.100(14.51) | 200 | 5.440(16.28) | 180 | 6.440(13.74) | 140 | Dickinsonite | KNa4Ca(Mn++,Fe++)14Al(PO4)12(OH)2 |
| 6.100(14.51) | 200 | 5.400(16.40) | 120 | 6.160(14.37) | 80 | Argyrodite | Ag8GeS6 |
| 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 | 5.734(15.44) | 122 | 5.136(17.25) | 78 | Bearthite | Ca2Al(PO4)2(OH) |
| 6.100(14.51) | 200 | 3.740(23.77) | 100 | 5.280(16.78) | 80 | Germanocolusite | Cu13V(Ge,As)3S16 |
| 6.100(14.51) | 200 | 4.280(20.74) | 100 | 4.500(19.71) | 60 | Sylvanite | (Au,Ag)2Te4 |
| 6.100(14.51) | 200 | 8.960(9.86) | 180 | 4.660(19.03) | 100 | Hydrophilite | CaCl2 |
| 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 | 6.860(12.89) | 200 | 5.580(15.87) | 140 | Weilite | CaHAsO4 |
| 6.100(14.51) | 200 | 5.600(15.81) | 150 | 5.680(15.59) | 140 | Chursinite | Hg+Hg++(AsO4) |
| 6.100(14.51) | 200 | 6.480(13.65) | 120 | 16.520(5.35) | 110 | Anthophyllite | [ ]Mg7Si8O22(OH)2 |
| 6.100(14.51) | 200 | 5.828(15.19) | 160 | 5.730(15.45) | 100 | Grumiplucite | HgBi2S4 |
| 6.104(14.50) | 200 | 7.272(12.16) | 80 | 3.634(24.48) | 70 | Graulichite-(Ce) | CeFe+++3(AsO4)2(OH)6 |
| 6.104(14.50) | 200 | 6.140(14.41) | 200 | 8.390(10.54) | 200 | Anthoinite | AlWO3(OH)3 |
| 6.106(14.49) | 200 | 3.738(23.78) | 180 | 3.190(27.95) | 60 | Calvertite | Cu5Ge0.5S4 |
| 6.106(14.49) | 200 | 10.500(8.41) | 160 | 5.908(14.98) | 140 | Hanawaltite | Hg+6Hg++[Cl,(OH)]2O3 |
| 6.106(14.49) | 200 | 5.374(16.48) | 40 | 7.122(12.42) | 30 | Mosandrite | Na(Na,Ca)2(Ca,Ce,Y)4(Ti,Nb,Zr)(Si2O7)2(O,F)2F3 |
| 6.108(14.49) | 200 | 3.186(27.98) | 140 | 3.738(23.78) | 140 | Cesplumtantite | (Cs,Na,Ca)2(Pb,Sb+++,Sn)3Ta8O24 |
| 6.108(14.49) | 200 | 3.740(23.77) | 140 | 3.190(27.95) | 80 | Germanite | Cu26Fe4Ge4S32 |
| 6.108(14.49) | 200 | 3.120(28.59) | 64 | 3.798(23.40) | 64 | Paraniite-(Y) | Ca2Y(AsO4)(WO4)2 |
| 6.108(14.49) | 200 | 3.530(25.21) | 160 | 5.684(15.58) | 160 | Girdite | Pb3H2(Te++++O3)(Te++++++O6) |
| 6.110(14.48) | 200 | 6.244(14.17) | 160 | 6.576(13.45) | 120 | Andremeyerite | BaFe(Fe++,Mn,Mg)Si2O7 |
| 6.110(14.48) | 200 | 6.978(12.68) | 180 | 12.540(7.04) | 160 | Xanthoxenite | Ca4Fe+++2(PO4)4(OH)2·3(H2O) |
| 6.112(14.48) | 200 | 13.120(6.73) | 154 | 13.820(6.39) | 110 | Blatonite | UO2CO3·(H2O) |
| 6.112(14.48) | 200 | 6.208(14.26) | 140 | 6.572(13.46) | 140 | Bertossaite | Li2CaAl4(PO4)4(OH)4 |
| 6.112(14.48) | 200 | 11.640(7.59) | 180 | 9.360(9.44) | 170 | Yugawaralite | CaAl2Si6O16·4(H2O) |
| 6.112(14.48) | 200 | 5.398(16.41) | 120 | 5.498(16.11) | 108 | Sodic-ferripedrizite | Na(LiNa)(Fe+++2Mg2Li)Si8O22(OH,F)2 |
| 6.114(14.48) | 200 | 4.042(21.97) | 136 | 3.360(26.51) | 120 | IMA2008-024 | (Ca,Na,REE,[ ])7(Nb,Ti)[Si2O7]2OF3 |
| 6.116(14.47) | 200 | 5.314(16.67) | 140 | 6.064(14.60) | 120 | Samuelsonite | (Ca,Ba)Ca8(Fe++,Mn)4Al2(PO4)10(OH)2 |
| 6.116(14.47) | 200 | 4.460(19.89) | 160 | 5.278(16.78) | 150 | Norbergite | Mg3(SiO4)(F,OH)2 |
| 6.116(14.47) | 200 | 5.630(15.73) | 124 | 3.036(29.39) | 110 | Fersmanite | Ca4(Na,Ca)4(Ti,Nb)4(Si2O7)2O8F3 |
| 6.118(14.47) | 200 | 3.752(23.69) | 140 | 3.204(27.82) | 100 | Isocubanite | CuFe2S3 |
| 6.120(14.46) | 200 | 16.540(5.34) | 160 | 6.540(13.53) | 140 | Gedrite | [ ]Mg5Al2Si6Al2O22(OH)2 |
| 6.120(14.46) | 200 | 3.708(23.98) | 140 | 5.820(15.21) | 140 | Cervantite | Sb+++Sb+++++O4 |
| 6.120(14.46) | 200 | 12.318(7.17) | 180 | 8.652(10.22) | 160 | Mccrillisite | NaCs(Be,Li)Zr2(PO4)4·1-2(H2O) |
| 6.120(14.46) | 200 | 9.740(9.07) | 120 | 7.020(12.60) | 110 | Rowlandite-(Y) | Y4Fe++Si4O14F2 (?) |
| 6.120(14.46) | 200 | 5.216(16.98) | 180 | 10.880(8.12) | 160 | Canaphite | CaNa2P2O7·4(H2O) |
| 6.120(14.46) | 200 | 9.240(9.56) | 180 | 4.960(17.87) | 80 | Pottsite | PbBiH(VO4)2·2(H2O) |
| 6.120(14.46) | 200 | 6.000(14.75) | 180 | 5.480(16.16) | 150 | Rengeite | Sr4ZrTi4Si4O22 |
| 6.120(14.46) | 200 | 3.740(23.77) | 100 | 3.780(23.52) | 100 | Briartite | Cu2(Zn,Fe)GeS4 |
| 6.120(14.46) | 200 | 5.700(15.53) | 150 | 6.520(13.57) | 140 | Brabantite | CaTh(PO4)2 |
| 6.120(14.46) | 200 | 7.060(12.53) | 180 | 6.760(13.09) | 160 | Ganomalite | Pb9Ca5Mn++Si9O33 |
| 6.120(14.46) | 200 | 3.740(23.77) | 160 | 3.190(27.95) | 120 | Renierite | (Cu,Zn)11(Ge,As)2Fe4S16 |
| 6.120(14.46) | 200 | 4.230(20.98) | 100 | 6.700(13.20) | 80 | Saddlebackite | Pb2Bi2Te2S3 |
| 6.120(14.46) | 200 | 5.680(15.59) | 180 | 9.200(9.61) | 60 | Lengenbachite | Pb6(Ag,Cu)2As4S13 |
| 6.120(14.46) | 200 | 4.260(20.83) | 60 | 5.900(15.00) | 60 | Alforsite | Ba5(PO4)3Cl |
| 6.120(14.46) | 200 | 8.560(10.33) | 148 | 8.920(9.91) | 130 | Bernardite | Tl(As,Sb)5S8 |
| 6.120(14.46) | 200 | 3.738(23.78) | 160 | 3.190(27.95) | 80 | Argentotennantite | (Ag,Cu)10(Zn,Fe)2(As,Sb)4S13 |