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Minerals Arranged by X-Ray Powder Diffraction
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.
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| D1 Å (2θ) |
I1 %) |
D2 Å (2θ) |
I2 (%) |
D3 Å (2θ) |
I3 (%) |
Mineral | Formula |
| 2.873(31.10) | 100 | 2.768(32.32) | 100 | 4.251(20.88) | 100 | Vuonnemite | Na11Nb2TiSi4O12(PO4)2O5F2 |
| 2.874(31.09) | 100 | 2.204(40.91) | 90 | 4.290(20.69) | 90 | Papagoite | CaCuAlSi2O6(OH)3 |
| 2.874(31.09) | 100 | 4.290(20.69) | 90 | 2.204(40.91) | 90 | Papagoite | CaCuAlSi2O6(OH)3 |
| 2.875(31.08) | 100 | 2.131(42.38) | 100 | 3.390(26.27) | 100 | Crichtonite | (Sr,La,Ce,Y)(Ti,Fe+++,Mn)21O38 |
| 2.876(31.07) | 100 | 2.068(43.74) | 60 | 4.340(20.45) | 40 | Coiraite | (Pb,Sn)12.5As3Sn5FeS28 |
| 2.877(31.06) | 100 | 3.974(22.35) | 28 | 1.878(48.43) | 26 | IMA2008-068 | Ca2Pb3(PO4)3F |
| 2.879(31.04) | 100 | 3.253(27.39) | 90 | 5.390(16.43) | 80 | Cervandonite-(Ce) | (Ce,Nd,La)(Fe+++,Fe++,Ti++++,Al)3(SiO7)1-x+y(AsO3)1+x-y(OH)3x-3y |
| 2.879(31.04) | 100 | 3.564(24.96) | 70 | 4.880(18.16) | 40 | Bastnasite-(Ce) | Ce(CO3)F |
| 2.879(31.04) | 100 | 3.357(26.53) | 60 | 3.127(28.52) | 50 | Iltisite | HgSAg(Cl,Br) |
| 2.880(31.03) | 100 | 3.310(26.91) | 100 | 2.980(29.96) | 100 | Fornacite | Pb2Cu(CrO4)(AsO4)(OH) |
| 2.880(31.03) | 100 | 3.850(23.08) | 100 | 5.730(15.45) | 50 | Cylindrite | Pb3Sn4FeSb2S14 |
| 2.880(31.03) | 100 | 4.810(18.43) | 90 | 2.600(34.47) | 80 | Gadolinite-(Ce) | (Ce,La,Nd,Y)2Fe++Be2Si2O10 |
| 2.880(31.03) | 100 | 2.630(34.06) | 100 | 2.325(38.70) | 100 | Makinenite | NiSe |
| 2.880(31.03) | 100 | 2.610(34.33) | 100 | 4.150(21.39) | 75 | Tangeite | CaCu(VO4)(OH) |
| 2.880(31.03) | 100 | 3.380(26.35) | 90 | 2.050(44.14) | 90 | Bursaite | Pb5Bi4S11 |
| 2.880(31.03) | 100 | 3.450(25.80) | 100 | 4.320(20.54) | 90 | Potosiite | Pb6Sn2FeSb2S14 |
| 2.880(31.03) | 100 | 3.560(24.99) | 70 | 4.880(18.16) | 40 | Bastnasite-(La) | La(CO3)F |
| 2.880(31.03) | 100 | 3.230(27.59) | 100 | 2.600(34.47) | 80 | Arsendescloizite | PbZn(AsO4)(OH) |
| 2.880(31.03) | 100 | 2.940(30.38) | 100 | 3.450(25.80) | 90 | Potosiite | Pb6Sn2FeSb2S14 |
| 2.880(31.03) | 100 | 2.950(30.27) | 80 | 2.780(32.17) | 40 | Iimoriite-(Y) | Y2(SiO4)(CO3) |
| 2.880(31.03) | 100 | 2.980(29.96) | 95 | 3.170(28.13) | 60 | Clinoenstatite | Mg2Si2O6 |
| 2.880(31.03) | 100 | 2.702(33.13) | 80 | 2.636(33.98) | 70 | Quadruphite-VII | Na14CaMgTi4[Si2O7]2(PO4)4O4F2 |
| 2.880(31.03) | 100 | 2.702(33.13) | 80 | 2.636(33.98) | 70 | Quadruphite-VIII | Na14CaMgTi4(Si2O7)2(PO4)4O4F2 |
| 2.880(31.03) | 100 | 2.050(44.14) | 90 | 3.380(26.35) | 90 | Bursaite | Pb5Bi4S11 |
| 2.880(31.03) | 100 | 2.827(31.62) | 83 | 2.029(44.62) | 64 | Hilgardite | Ca2B5O9Cl•(H2O) |
| 2.880(31.03) | 100 | 2.980(29.96) | 100 | 3.310(26.91) | 100 | Fornacite | Pb2Cu(CrO4)(AsO4)(OH) |
| 2.880(31.03) | 100 | 3.180(28.04) | 90 | 1.967(46.11) | 80 | Klockmannite | CuSe |
| 2.880(31.03) | 70 | 3.100(28.77) | 70 | 3.290(27.08) | 60 | Karnasurtite-(Ce) | (Ce,La,Th)(Ti,Nb)(Al,Fe+++)(Si,P)2O7(OH)4•3(H2O) (?) |
| 2.881(31.02) | 100 | 3.028(29.47) | 100 | 3.189(27.96) | 58 | Rustumite | Ca10(Si2O7)2(SiO4)Cl2(OH)2 |
| 2.882(31.00) | 100 | 3.187(27.97) | 90 | 4.076(21.79) | 80 | Almarudite | K([ ],Na)2(Mn,Fe,Mg)2(Be,Al)3[Si12O30] |
| 2.882(31.00) | 100 | 5.800(15.26) | 71 | 6.080(14.56) | 50 | Perhamite | Ca3Al7(SiO4)3(PO4)4(OH)3•16.5(H2O) |
| 2.882(31.00) | 100 | 5.850(15.13) | 100 | 6.590(13.42) | 90 | Scolecite | CaAl2Si3O10•3(H2O) |
| 2.883(30.99) | 100 | 2.937(30.41) | 50 | 3.223(27.65) | 46 | Viitaniemiite | Na(Ca,Mn++)Al(PO4)(F,OH)3 |
| 2.883(30.99) | 100 | 1.785(51.13) | 60 | 2.191(41.17) | 50 | Dolomite | CaMg(CO3)2 |
| 2.884(30.98) | 100 | 2.897(30.84) | 100 | 3.590(24.78) | 87 | Belovite-(La) | (Sr,La,Ce,Ca)5(PO4)3(F,OH) |
| 2.884(30.98) | 100 | 2.826(31.63) | 90 | 5.770(15.34) | 70 | Sverigeite | NaMnMgSn++++Be2Si3O12(OH) |
| 2.885(30.97) | 100 | 2.675(33.47) | 90 | 3.143(28.37) | 90 | Tedhadleyite | Hg++Hg+10O4I2(Cl1.16Br0.84)2 |
| 2.885(30.97) | 100 | 3.143(28.37) | 90 | 2.675(33.47) | 90 | Tedhadleyite | Hg++Hg+10O4I2(Cl1.16Br0.84)2 |
| 2.886(30.96) | 100 | 2.041(44.35) | 55 | 1.667(55.04) | 16 | Bromargyrite | AgBr |
| 2.887(30.95) | 100 | 3.434(25.92) | 70 | 2.041(44.35) | 70 | Wittite | Pb3Bi4(S,Se)9 |
| 2.887(30.95) | 100 | 4.700(18.87) | 100 | 2.921(30.58) | 100 | Larderellite | (NH4)B5O6(OH)4 |
| 2.887(30.95) | 100 | 2.041(44.35) | 70 | 3.434(25.92) | 70 | Wittite | Pb3Bi4(S,Se)9 |
| 2.887(30.95) | 100 | 2.921(30.58) | 100 | 4.700(18.87) | 100 | Larderellite | (NH4)B5O6(OH)4 |
| 2.888(30.94) | 100 | 11.938(7.40) | 90 | 2.967(30.09) | 50 | Lalondeite | (Na,Ca)6(Ca,Na)3Si16O38(F,OH)2•3(H2O) |
| 2.888(30.94) | 100 | 3.018(29.57) | 84 | 2.888(30.94) | 48 | Selenopolybasite | [(Ag,Cu)6(Sb,As)2(S,Se)7][Ag9Cu(S,Se)2Se2] |
| 2.888(30.94) | 100 | 2.888(30.94) | 84 | 3.173(28.10) | 48 | Selenopolybasite | [(Ag,Cu)6(Sb,As)2(S,Se)7][Ag9Cu(S,Se)2Se2] |
| 2.890(30.92) | 100 | 3.411(26.10) | 90 | 3.295(27.04) | 88 | Heteromorphite | Pb7Sb8S19 |
| 2.890(30.92) | 100 | 4.170(21.29) | 60 | 3.350(26.59) | 60 | Raguinite | TlFeS2 |
| 2.890(30.92) | 100 | 1.732(52.81) | 90 | 1.589(57.99) | 90 | Kettnerite | CaBi(CO3)OF |
| 2.890(30.92) | 100 | 2.630(34.06) | 90 | 1.943(46.71) | 90 | Padmaite | PdBiSe |
| 2.890(30.92) | 100 | 2.260(39.86) | 70 | 1.450(64.18) | 70 | Mongshanite | (Mg,Cr,Fe++)2(Ti,Zr)5O12 |
| 2.890(30.92) | 100 | 3.167(28.15) | 70 | 2.780(32.17) | 70 | Apatite-(SrOH) | (Sr,Ca)5(PO4)3(F,OH) |
| 2.890(30.92) | 100 | 4.440(19.98) | 80 | 3.630(24.50) | 70 | Getchellite | AsSbS3 |
| 2.890(30.92) | 100 | 2.780(32.17) | 70 | 3.167(28.15) | 70 | Apatite-(SrOH) | (Sr,Ca)5(PO4)3(F,OH) |
| 2.890(30.92) | 100 | 2.790(32.05) | 80 | 2.590(34.60) | 70 | Clinozoisite | Ca2Al3(SiO4)3(OH) = Ca2AlAl2(SiO4)(Si2O7)O(OH) |
| 2.890(30.92) | 100 | 2.810(31.82) | 90 | 3.220(27.68) | 50 | Lavenite | (Na,Ca)2(Mn,Fe++)(Zr,Ti,Nb)Si2O7(O,OH,F) |
| 2.890(30.92) | 100 | 2.990(29.86) | 100 | 2.293(39.26) | 80 | Alunite | KAl3(SO4)2(OH)6 |
| 2.890(30.92) | 100 | 3.190(27.95) | 100 | 4.080(21.76) | 90 | Sogdianite | (K,Na)2(Li,Fe+++,Al)3ZrSi12O30 |
| 2.890(30.92) | 100 | 3.350(26.59) | 60 | 4.170(21.29) | 60 | Raguinite | TlFeS2 |
| 2.890(30.92) | 100 | 3.990(22.26) | 100 | 7.250(12.20) | 80 | Stokesite | CaSnSi3O9•2(H2O) |
| 2.890(30.92) | 100 | 3.450(25.80) | 90 | 2.750(32.53) | 80 | Miargyrite | AgSbS2 |
| 2.890(30.92) | 100 | 2.680(33.41) | 95 | 3.070(29.06) | 90 | Kilchoanite | Ca3Si2O7 |
| 2.890(30.92) | 100 | 2.520(35.60) | 90 | 3.060(29.16) | 80 | Lammerite | Cu3[(As,P)O4]2 |
| 2.890(30.92) | 100 | 2.109(42.84) | 80 | 1.990(45.55) | 70 | Hexatestibiopanickelite | (Ni,Pd)(Te,Sb) |
| 2.890(30.92) | 100 | 1.943(46.71) | 90 | 2.630(34.06) | 90 | Padmaite | PdBiSe |
| 2.890(30.92) | 100 | 1.450(64.18) | 70 | 2.260(39.86) | 70 | Mongshanite | (Mg,Cr,Fe++)2(Ti,Zr)5O12 |
| 2.890(30.92) | 100 | 1.789(51.01) | 40 | 1.806(50.49) | 33 | Minrecordite | CaZn(CO3)2 |
| 2.890(30.92) | 100 | 1.589(57.99) | 90 | 1.732(52.81) | 90 | Kettnerite | CaBi(CO3)OF |
| 2.890(30.92) | 100 | 1.776(51.41) | 80 | 1.514(61.16) | 70 | Kobeite-(Y) | (Y,U)(Ti,Nb)2(O,OH)6 (?) |
| 2.891(30.91) | 100 | 3.754(23.68) | 70 | 2.775(32.23) | 50 | Thorikosite | Pb3(Sb+++,As+++)O3(OH)Cl2 |
| 2.891(30.91) | 100 | 7.250(12.20) | 100 | 3.583(24.83) | 100 | Schneiderhohnite | Fe++Fe+++3As+++5O13 |
| 2.891(30.91) | 100 | 3.583(24.83) | 100 | 7.250(12.20) | 100 | Schneiderhohnite | Fe++Fe+++3As+++5O13 |
| 2.892(30.89) | 100 | 1.804(50.55) | 100 | 3.707(23.99) | 60 | Nordenskioldine | CaSnB2O6 |
| 2.892(30.89) | 100 | 2.682(33.38) | 80 | 2.600(34.47) | 80 | Mukhinite | Ca2Al2V+++(SiO4)3(OH) |
| 2.892(30.89) | 100 | 2.600(34.47) | 80 | 2.682(33.38) | 80 | Mukhinite | Ca2Al2V+++(SiO4)3(OH) |
| 2.894(30.87) | 100 | 2.722(32.88) | 90 | 4.205(21.11) | 80 | Vasilyevite | (Hg2)++10O6I3Cl(CO3) |
| 2.894(30.87) | 100 | 3.132(28.47) | 90 | 2.722(32.88) | 80 | Vasilyevite | (Hg2)++10O6I3Cl(CO3) |
| 2.894(30.87) | 100 | 3.430(25.96) | 90 | 1.981(45.76) | 75 | Senaite | Pb(Ti,Fe,Mn)21O38 |
| 2.895(30.86) | 100 | 2.996(29.80) | 100 | 3.363(26.48) | 100 | Gustavite | PbAgBi3S6 (?) |
| 2.895(30.86) | 100 | 3.420(26.03) | 72 | 2.850(31.36) | 60 | Davidite-(La) | (La,Ce,Ca)(Y,U)(Ti,Fe+++)20O38 |
| 2.895(30.86) | 100 | 2.969(30.07) | 100 | 2.755(32.47) | 70 | Scandiobabingtonite | Ca2(Fe++,Mn)ScSi5O14(OH) |
| 2.895(30.86) | 100 | 2.912(30.68) | 95 | 3.787(23.47) | 80 | Pumpellyite-(Al) | Ca2(Al,Fe++,Mg)Al2(SiO4)(Si2O7)(OH,O)2•H2O |
| 2.895(30.86) | 100 | 2.798(31.96) | 70 | 2.820(31.70) | 70 | Johnbaumite | Ca5(AsO4)3(OH) |
| 2.895(30.86) | 100 | 2.711(33.01) | 90 | 7.081(12.49) | 80 | Rouvilleite | Na3Ca2(CO3)3F |
| 2.895(30.86) | 100 | 2.616(34.25) | 53 | 3.506(25.38) | 41 | Manganiandrosite-(La) | (Mn,Ca)(La,Ce,Ca,Nd)AlMn+++Mn++(SiO4)(Si2O7)O(OH) |
| 2.895(30.86) | 100 | 2.820(31.70) | 70 | 2.798(31.96) | 70 | Johnbaumite | Ca5(AsO4)3(OH) |
| 2.895(30.86) | 100 | 3.363(26.48) | 100 | 2.996(29.80) | 100 | Gustavite | PbAgBi3S6 (?) |
| 2.896(30.85) | 100 | 6.670(13.26) | 90 | 4.720(18.78) | 80 | Mammothite | Pb6Cu4AlSb+++++O2(SO4)2Cl4(OH)16 |
| 2.896(30.85) | 100 | 4.174(21.27) | 45 | 2.684(33.36) | 42 | Demicheleite-(Cl) | BiSCl |
| 2.896(30.85) | 100 | 2.662(33.64) | 58 | 2.707(33.06) | 43 | Manganiandrosite-(Ce) | (Mn++,Ca)(Ce,REE)AlMn+++Mn++(Si2O7)(SiO4)O(OH) |
| 2.896(30.85) | 100 | 2.691(33.27) | 70 | 2.913(30.67) | 50 | Sobolevite | Na11(Na,Ca)4(Mg,Mn)Ti++++4(Si4O12)(PO4)4O5F3 |
| 2.897(30.84) | 100 | 2.884(30.98) | 100 | 3.590(24.78) | 87 | Belovite-(La) | (Sr,La,Ce,Ca)5(PO4)3(F,OH) |
| 2.898(30.83) | 100 | 3.027(29.48) | 68 | 2.613(34.29) | 26 | Grenmarite | (Zr,Mn)2(Zr,Ti)(Mn,Na)(Na,Ca)4(Si2O7)2(O,F)4 |
| 2.899(30.82) | 100 | 2.199(41.01) | 6 | 1.812(50.31) | 6 | Ankerite | Ca(Fe++,Mg,Mn)(CO3)2 |
| 2.899(30.82) | 100 | 1.812(50.31) | 6 | 2.199(41.01) | 6 | Ankerite | Ca(Fe++,Mg,Mn)(CO3)2 |
| 2.900(30.81) | 100 | 1.690(54.23) | 70 | 2.640(33.93) | 70 | Shcherbakovite | KKNaTi2O(OH)[Si4O12] |
| 2.900(30.81) | 100 | 6.369(13.89) | 90 | 4.416(20.09) | 80 | Aegirine | NaFe+++Si2O6 |
| 2.900(30.81) | 100 | 3.180(28.04) | 60 | 1.781(51.25) | 30 | Leightonite | K2Ca2Cu(SO4)4•2(H2O) |
| 2.900(30.81) | 100 | 2.470(36.34) | 85 | 3.159(28.23) | 71 | Lacroixite | NaAl(PO4)F |
| 2.900(30.81) | 100 | 2.680(33.41) | 100 | 2.690(33.28) | 70 | Epidote | Ca2(Fe+++,Al)3(SiO4)3(OH) = Ca2(Fe,Al)Al2(SiO4)(Si2O7)O(OH) |
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