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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 |
| 2.888(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 | 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 | 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 | 3.350(26.59) | 60 | 4.170(21.29) | 60 | Raguinite | TlFeS2 |
| 2.890(30.92) | 100 | 3.450(25.80) | 90 | 2.750(32.53) | 80 | Miargyrite | AgSbS2 |
| 2.890(30.92) | 100 | 3.990(22.26) | 100 | 7.250(12.20) | 80 | Stokesite | CaSnSi3O9•2(H2O) |
| 2.890(30.92) | 100 | 4.440(19.98) | 80 | 3.630(24.50) | 70 | Getchellite | AsSbS3 |
| 2.890(30.92) | 100 | 2.630(34.06) | 90 | 1.943(46.71) | 90 | Padmaite | PdBiSe |
| 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 | 3.167(28.15) | 70 | 2.780(32.17) | 70 | Apatite-(SrOH) | (Sr,Ca)5(PO4)3(F,OH) |
| 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 | 3.190(27.95) | 100 | 4.080(21.76) | 90 | Sogdianite | (K,Na)2(Li,Fe+++,Al)3ZrSi12O30 |
| 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 | 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 | 1.450(64.18) | 70 | 2.260(39.86) | 70 | Mongshanite | (Mg,Cr,Fe++)2(Ti,Zr)5O12 |
| 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 (?) |
| 2.890(30.92) | 100 | 1.789(51.01) | 40 | 1.806(50.49) | 33 | Minrecordite | CaZn(CO3)2 |
| 2.890(30.92) | 100 | 1.943(46.71) | 90 | 2.630(34.06) | 90 | Padmaite | PdBiSe |
| 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 | 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 | 2.780(32.17) | 70 | 3.167(28.15) | 70 | Apatite-(SrOH) | (Sr,Ca)5(PO4)3(F,OH) |
| 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 |
| 2.891(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 | 2.600(34.47) | 80 | 2.682(33.38) | 80 | Mukhinite | Ca2Al2V+++(SiO4)3(OH) |
| 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 | 1.804(50.55) | 100 | 3.707(23.99) | 60 | Nordenskioldine | CaSnB2O6 |
| 2.894(30.87) | 100 | 2.722(32.88) | 90 | 4.205(21.11) | 80 | Vasilyevite | (Hg2)++10O6I3Cl(CO3) |
| 2.894(30.87) | 100 | 3.430(25.96) | 90 | 1.981(45.76) | 75 | Senaite | Pb(Ti,Fe,Mn)21O38 |
| 2.894(30.87) | 100 | 3.132(28.47) | 90 | 2.722(32.88) | 80 | Vasilyevite | (Hg2)++10O6I3Cl(CO3) |
| 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 (?) |
| 2.895(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 | 2.969(30.07) | 100 | 2.755(32.47) | 70 | Scandiobabingtonite | Ca2(Fe++,Mn)ScSi5O14(OH) |
| 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 |
| 2.896(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 |
| 2.896(30.85) | 100 | 4.174(21.27) | 45 | 2.684(33.36) | 42 | Demicheleite-(Cl) | BiSCl |
| 2.896(30.85) | 100 | 6.670(13.26) | 90 | 4.720(18.78) | 80 | Mammothite | Pb6Cu4AlSb+++++O2(SO4)2Cl4(OH)16 |
| 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 | 1.812(50.31) | 6 | 2.199(41.01) | 6 | Ankerite | Ca(Fe++,Mg,Mn)(CO3)2 |
| 2.899(30.82) | 100 | 2.199(41.01) | 6 | 1.812(50.31) | 6 | Ankerite | Ca(Fe++,Mg,Mn)(CO3)2 |
| 2.900(30.81) | 100 | 2.640(33.93) | 70 | 1.690(54.23) | 70 | Shcherbakovite | KKNaTi2O(OH)[Si4O12] |
| 2.900(30.81) | 100 | 10.130(8.72) | 100 | 2.960(30.17) | 100 | Rudenkoite | Sr3Al3[(Si,Al)4O10](OH,O)8Cl2•H2O |
| 2.900(30.81) | 100 | 3.790(23.45) | 50 | 2.740(32.65) | 50 | Pumpellyite-(Mg) | Ca2MgAl2(SiO4)(Si2O7)(OH)2•(H2O) |
| 2.900(30.81) | 100 | 1.152(83.93) | 50 | 1.450(64.18) | 40 | Allendeite | Sc4Zr3O12 |
| 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) |
| 2.900(30.81) | 100 | 1.690(54.23) | 70 | 2.640(33.93) | 70 | Shcherbakovite | KKNaTi2O(OH)[Si4O12] |
| 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 | 2.860(31.25) | 100 | 2.740(32.65) | 100 | Kentrolite | Pb2Mn+++2Si2O9 |
| 2.900(30.81) | 100 | 6.369(13.89) | 90 | 4.416(20.09) | 80 | Aegirine | NaFe+++Si2O6 |
| 2.900(30.81) | 100 | 4.698(18.87) | 50 | 1.152(83.93) | 40 | Allendeite | Sc4Zr3O12 |
| 2.900(30.81) | 100 | 3.180(28.04) | 70 | 2.850(31.36) | 16 | Polyhalite | K2Ca2Mg(SO4)4•2(H2O) |
| 2.900(30.81) | 100 | 3.020(29.55) | 100 | 3.210(27.77) | 80 | Pigeonite | (Mg,Fe++,Ca)(Mg,Fe++)Si2O6 |
| 2.900(30.81) | 100 | 2.960(30.17) | 100 | 10.130(8.72) | 100 | Rudenkoite | Sr3Al3[(Si,Al)4O10](OH,O)8Cl2•H2O |
| 2.900(30.81) | 100 | 2.910(30.70) | 100 | 3.790(23.45) | 90 | Pumpellyite-(Fe+++) | Ca2Fe+++Al2(SiO4)(Si2O7)(OH,O)2•(H2O) |
| 2.900(30.81) | 100 | 2.702(33.13) | 80 | 2.853(31.33) | 70 | Gatehouseite | Mn++5(PO4)2(OH)4 |
| 2.900(30.81) | 100 | 2.470(36.34) | 85 | 3.159(28.23) | 71 | Lacroixite | NaAl(PO4)F |
| 2.900(30.81) | 100 | 2.790(32.05) | 48 | 2.700(33.15) | 26 | Clinozoisite-(Sr) | CaSrAl3(Si2O7)(SiO4)O(OH) |
| 2.900(30.81) | 100 | 2.740(32.65) | 50 | 3.790(23.45) | 50 | Pumpellyite-(Mg) | Ca2MgAl2(SiO4)(Si2O7)(OH)2•(H2O) |
| 2.901(30.80) | 100 | 2.074(43.60) | 65 | 2.026(44.69) | 51 | Zlatogorite | CuNiSb2 |
| 2.901(30.80) | 100 | 3.082(28.95) | 40 | 3.061(29.15) | 20 | Pectolite | NaCa2Si3O8(OH) |
| 2.901(30.80) | 100 | 2.692(33.25) | 60 | 2.611(34.32) | 50 | Allanite-(La) | Ca(REE,Ca)Al2(Fe++,Fe+++)(SiO4)(Si2O7)O(OH) |
| 2.902(30.79) | 100 | 2.766(32.34) | 100 | 3.164(28.18) | 60 | Damaraite | Pb3O2(OH)Cl |
| 2.902(30.79) | 100 | 2.041(44.35) | 60 | 1.550(59.60) | 50 | Borovskite | Pd3SbTe4 |
| 2.902(30.79) | 100 | 1.819(50.11) | 33 | 1.702(53.82) | 21 | Ashoverite | Zn(OH)2 |
| 2.903(30.77) | 100 | 2.598(34.49) | 50 | 4.000(22.21) | 50 | Piemontite | Ca2(Al,Mn,Fe)3(SiO4)3(OH) = Ca2(Mn,Fe)Al2(SiO4)(Si2O7)O(OH) |
| 2.903(30.77) | 100 | 4.000(22.21) | 50 | 2.598(34.49) | 50 | Piemontite | Ca2(Al,Mn,Fe)3(SiO4)3(OH) = Ca2(Mn,Fe)Al2(SiO4)(Si2O7)O(OH) |
| 2.903(30.77) | 100 | 3.001(29.75) | 71 | 2.886(30.96) | 53 | Arcanite | K2SO4 |
| 2.903(30.77) | 100 | 15.700(5.62) | 100 | 3.280(27.16) | 75 | Chiavennite | CaMnBe2Si5O13(OH)2•2(H2O) |
| 2.905(30.75) | 100 | 3.521(25.27) | 80 | 2.199(41.01) | 80 | Raadeite | Mg7(PO4)2(OH)8 |
| 2.905(30.75) | 100 | 2.199(41.01) | 80 | 3.521(25.27) | 80 | Raadeite | Mg7(PO4)2(OH)8 |
| 2.906(30.74) | 100 | 2.991(29.85) | 77 | 12.290(7.19) | 60 | Ottensite | Na3(Sb2O3)3(SbS3)•3H2O |
| 2.907(30.73) | 100 | 3.421(26.02) | 100 | 3.652(24.35) | 80 | Pollucite | (Cs,Na)2Al2Si4O12•(H2O) |
| 2.907(30.73) | 100 | 2.826(31.63) | 90 | 3.430(25.96) | 60 | Turneaureite | Ca5[(As,P)O4]3Cl |
| 2.908(30.72) | 100 | 1.868(48.71) | 80 | 3.028(29.47) | 60 | Kochite | Na2(Na,Ca)4Ca4(Mn,Ca)2Zr2Ti2(Si2O7)4(O,F)4F4 |
| 2.908(30.72) | 100 | 2.600(34.47) | 80 | 1.868(48.71) | 60 | Kochite | Na2(Na,Ca)4Ca4(Mn,Ca)2Zr2Ti2(Si2O7)4(O,F)4F4 |
| 2.909(30.71) | 100 | 1.774(51.47) | 88 | 4.220(21.03) | 68 | Demicheleite-(Br) | BiSBr |
| 2.910(30.70) | 100 | 2.530(35.45) | 100 | 3.730(23.84) | 80 | Thalcusite | TlCu3FeS4 |
| 2.910(30.70) | 100 | 3.430(25.96) | 95 | 3.440(25.88) | 95 | Vanthoffite | Na6Mg(SO4)4 |
| 2.910(30.70) | 100 | 2.860(31.25) | 100 | 2.610(34.33) | 80 | Vysotskite | (Pd,Ni)S |
| 2.910(30.70) | 100 | 2.620(34.20) | 100 | 3.880(22.90) | 60 | Kleinite | Hg2N(Cl,SO4)•n(H2O) |
| 2.910(30.70) | 100 | 4.610(19.24) | 90 | 3.000(29.76) | 80 | Ferrosilite | (Fe++,Mg)2Si2O6 |
| 2.910(30.70) | 100 | 2.900(30.81) | 100 | 3.790(23.45) | 90 | Pumpellyite-(Fe+++) | Ca2Fe+++Al2(SiO4)(Si2O7)(OH,O)2•(H2O) |
| 2.910(30.70) | 100 | 3.210(27.77) | 50 | 4.850(18.28) | 50 | Yoshimuraite | (Ba,Sr)2(Mn,Fe)2(Ti,Fe)(Si2O7)2(PO4,SO4)(OH) |
| 2.910(30.70) | 100 | 3.340(26.67) | 70 | 2.600(34.47) | 55 | Schuetteite | Hg3(SO4)O2 |
| 2.910(30.70) | 100 | 2.600(34.47) | 50 | 3.490(25.50) | 50 | Epidote-(Pb) | (Ca,Pb,Sr)2(Al,Fe+++)3(SiO4)(Si2O7)O(OH) |
| 2.910(30.70) | 100 | 2.630(34.06) | 80 | 2.730(32.78) | 70 | Khristovite-(Ce) | (Ca,REE)(Ce,REE)(Mg,Fe,Cr,Ti,V,Al)Mn++Al(SiO4)(Si2O7)(OH)(F,O) |
| 2.910(30.70) | 100 | 4.420(20.07) | 75 | 3.730(23.84) | 60 | Muirite | Ba10Ca2Mn++TiSi10O30(OH,Cl,F)10 |
| 2.910(30.70) | 100 | 5.180(17.10) | 80 | 2.320(38.78) | 70 | Chiolite | Na5Al3F14 |
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