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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.
|
Selected X-Ray λ |
Change X-Ray λ |
D1 Å |
D2 Å |
D3 Å |
Tolerance % |
Elements |
|---|
[ 1 ] [ 2 ] [ 3 ] [ 4 ] [ 5 ] [ 6 ] [ 7 ]
| D1 Å (2θ) |
I1 %) |
D2 Å (2θ) |
I2 (%) |
D3 Å (2θ) |
I3 (%) |
Mineral | Formula |
| 2.901(30.80) | 100 | 2.074(43.60) | 65 | 2.026(44.69) | 51 | Zlatogorite | CuNiSb2 |
| 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) |
| 2.901(30.80) | 100 | 3.082(28.95) | 40 | 3.061(29.15) | 20 | Pectolite | NaCa2Si3O8(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 | 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) |
| 2.903(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 | 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) |
| 2.905(30.75) | 100 | 2.199(41.01) | 80 | 3.521(25.27) | 80 | Raadeite | Mg7(PO4)2(OH)8 |
| 2.905(30.75) | 100 | 3.521(25.27) | 80 | 2.199(41.01) | 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 | 3.440(25.88) | 100 | 2.820(31.70) | 100 | Franckeite | (Pb,Sn)6Fe++Sn2Sb2S14 |
| 2.910(30.70) | 100 | 4.850(18.28) | 50 | 3.210(27.77) | 50 | Yoshimuraite | (Ba,Sr)2(Mn,Fe)2(Ti,Fe)(Si2O7)2(PO4,SO4)(OH) |
| 2.910(30.70) | 100 | 2.840(31.47) | 90 | 2.820(31.70) | 90 | Svabite | Ca5(AsO4)3F |
| 2.910(30.70) | 100 | 3.790(23.45) | 60 | 2.750(32.53) | 60 | Pumpellyite-(Fe++) | Ca2Fe++(Al,Fe+++)2(SiO4)(Si2O7)(OH)2•(H2O) |
| 2.910(30.70) | 100 | 3.490(25.50) | 50 | 2.600(34.47) | 50 | Epidote-(Pb) | (Ca,Pb,Sr)2(Al,Fe+++)3(SiO4)(Si2O7)O(OH) |
| 2.910(30.70) | 100 | 2.160(41.78) | 50 | 3.390(26.27) | 50 | Batisite | BaNaNaTi2O2[Si4O12] |
| 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 | 2.860(31.25) | 100 | 2.610(34.33) | 80 | Vysotskite | (Pd,Ni)S |
| 2.910(30.70) | 100 | 2.530(35.45) | 100 | 3.730(23.84) | 80 | Thalcusite | TlCu3FeS4 |
| 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 | 3.440(25.88) | 95 | 3.430(25.96) | 95 | Vanthoffite | Na6Mg(SO4)4 |
| 2.910(30.70) | 100 | 4.420(20.07) | 80 | 2.870(31.14) | 80 | Bartelkeite | PbFe++Ge3O8 |
| 2.910(30.70) | 100 | 3.390(26.27) | 50 | 2.160(41.78) | 50 | Batisite | BaNaNaTi2O2[Si4O12] |
| 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 | 3.430(25.96) | 95 | 3.440(25.88) | 95 | Vanthoffite | Na6Mg(SO4)4 |
| 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 | 4.610(19.24) | 90 | 3.000(29.76) | 80 | Ferrosilite | (Fe++,Mg)2Si2O6 |
| 2.910(30.70) | 100 | 2.990(29.86) | 80 | 3.070(29.06) | 30 | Aeschynite-(Y) | (Y,Ca,Fe)(Ti,Nb)2(O,OH)6 |
| 2.910(30.70) | 100 | 5.180(17.10) | 80 | 2.320(38.78) | 70 | Chiolite | Na5Al3F14 |
| 2.910(30.70) | 100 | 3.340(26.67) | 70 | 2.600(34.47) | 55 | Schuetteite | Hg3(SO4)O2 |
| 2.910(30.70) | 100 | 2.870(31.14) | 80 | 4.420(20.07) | 80 | Bartelkeite | PbFe++Ge3O8 |
| 2.910(30.70) | 100 | 2.820(31.70) | 90 | 2.840(31.47) | 90 | Svabite | Ca5(AsO4)3F |
| 2.910(30.70) | 100 | 2.750(32.53) | 60 | 3.790(23.45) | 60 | Pumpellyite-(Fe++) | Ca2Fe++(Al,Fe+++)2(SiO4)(Si2O7)(OH)2•(H2O) |
| 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) |
| 2.911(30.69) | 100 | 4.950(17.90) | 88 | 3.596(24.74) | 79 | Hydroxylbastnasite-(Nd) | Nd(CO3)(OH) |
| 2.911(30.69) | 100 | 2.955(30.22) | 90 | 3.286(27.11) | 90 | Symesite | Pb10(SO4)O7Cl4•(H2O) |
| 2.911(30.69) | 100 | 3.286(27.11) | 90 | 2.955(30.22) | 90 | Symesite | Pb10(SO4)O7Cl4•(H2O) |
| 2.911(30.69) | 100 | 2.665(33.60) | 100 | 1.560(59.18) | 73 | IMA2009-010 | [Ba6(PO4)2(CO3)][Fe++7(OH)4Fe+++2O2(SiO3)8] |
| 2.912(30.68) | 100 | 2.832(31.57) | 90 | 2.569(34.90) | 80 | Taikanite | (Ba,Sr)2Mn+++2Si4O12 |
| 2.912(30.68) | 100 | 4.260(20.83) | 90 | 3.800(23.39) | 70 | Picotpaulite | TlFe2S3 |
| 2.912(30.68) | 100 | 2.187(41.24) | 90 | 1.959(46.31) | 70 | Temagamite | Pd3HgTe3 |
| 2.913(30.67) | 100 | 3.539(25.14) | 100 | 3.767(23.60) | 90 | Neustadtelite | Bi2Fe+++(Fe+++,Co)(O,OH)2(OH)2(AsO4)2 |
| 2.914(30.66) | 100 | 2.647(33.84) | 58 | 1.732(52.81) | 46 | Aluminocerite-(Ce) | (Ce,REE,Ca)9(Al,Fe+++)(SiO4)3[SiO3(OH)]4(OH)3 |
| 2.914(30.66) | 100 | 2.732(32.75) | 100 | 5.523(16.03) | 80 | Melanotekite | Pb2Fe+++2Si2O9 |
| 2.915(30.64) | 100 | 4.204(21.12) | 40 | 5.872(15.08) | 31 | Fluorcanasite | K3Na3Ca5Si12O30F4•H2O |
| 2.915(30.64) | 100 | 2.793(32.02) | 90 | 2.017(44.90) | 74 | Tin | Sn |
| 2.915(30.64) | 100 | 4.700(18.87) | 54 | 4.210(21.08) | 40 | Frankamenite | K3Na3Ca5(Si12O30)[F,(OH)]4•(H2O) |
| 2.915(30.64) | 100 | 2.709(33.04) | 70 | 2.852(31.34) | 30 | Dollaseite-(Ce) | CaCeMg2AlSi3O11(OH,F)2 |
| 2.915(30.64) | 100 | 1.895(47.97) | 75 | 2.756(32.46) | 61 | Takedaite | Ca3(BO3)2 |
| 2.915(30.64) | 100 | 4.460(19.89) | 90 | 2.638(33.95) | 80 | Mckelveyite-(Y) | NaCa(Ba,Sr)3(Y,REE)(CO3)6•3(H2O) |
| 2.916(30.63) | 100 | 3.493(25.48) | 50 | 2.936(30.42) | 50 | Piemontite-(Sr) | (Ca,Mn++)(Sr,Ca)Mn+++(Al,Mn+++,Fe+++)2(SiO4)(Si2O7)O(OH) |
| 2.916(30.63) | 100 | 2.729(32.79) | 100 | 3.420(26.03) | 55 | Parwelite | (Mn,Mg)5Sb(As,Si)2O12 |
| 2.916(30.63) | 100 | 2.936(30.42) | 50 | 3.493(25.48) | 50 | Piemontite-(Sr) | (Ca,Mn++)(Sr,Ca)Mn+++(Al,Mn+++,Fe+++)2(SiO4)(Si2O7)O(OH) |
| 2.916(30.63) | 77 | 3.739(23.78) | 41 | 3.611(24.63) | 23 | Krasnoselskite | CoWO4 |
| 2.916(30.63) | 100 | 12.410(7.12) | 80 | 3.000(29.76) | 74 | Cetineite | (K,Na)3+x(Sb2O3)3(Sb2S3)(OH)x•(2.8-x)(H2O) |
| 2.917(30.62) | 100 | 2.956(30.21) | 80 | 4.063(21.86) | 70 | Novgorodovaite | Ca2(C2O4)Cl2•2(H2O) |
| 2.917(30.62) | 100 | 4.063(21.86) | 80 | 4.323(20.53) | 70 | Novgorodovaite | Ca2(C2O4)Cl2•2(H2O) |
| 2.918(30.61) | 100 | 2.960(30.17) | 85 | 3.410(26.11) | 85 | Sorensenite | Na4SnBe2Si6O18•2(H2O) |
| 2.918(30.61) | 100 | 3.410(26.11) | 85 | 2.960(30.17) | 85 | Sorensenite | Na4SnBe2Si6O18•2(H2O) |
| 2.919(30.60) | 100 | 2.659(33.68) | 81 | 6.282(14.09) | 69 | IMA2008-032 | CuCl2•2NH3 |
| 2.919(30.60) | 100 | 5.620(15.76) | 90 | 5.037(17.59) | 90 | Duranusite | As4S |
| 2.919(30.60) | 100 | 5.037(17.59) | 90 | 5.620(15.76) | 90 | Duranusite | As4S |
| 2.920(30.59) | 100 | 2.840(31.47) | 90 | 3.220(27.68) | 90 | Kurgantaite | CaSr[B5O9]Cl•(H2O) |
| 2.920(30.59) | 100 | 2.714(32.98) | 65 | 3.530(25.21) | 45 | Allanite-(Ce) | (Ce,Ca,Y)2(Al,Fe+++)3(SiO4)3(OH) |
| 2.920(30.59) | 100 | 2.100(43.04) | 60 | 3.070(29.06) | 30 | Merenskyite | (Pd,Pt)(Te,Bi)2 |
| 2.920(30.59) | 100 | 2.090(43.25) | 90 | 3.590(24.78) | 90 | Hydroxylbastnasite-(Ce) | Ce(CO3)(OH) |
| 2.920(30.59) | 100 | 2.010(45.07) | 70 | 2.130(42.40) | 60 | Stibarsen | SbAs |
| 2.920(30.59) | 100 | 1.792(50.92) | 90 | 1.534(60.28) | 80 | Hiarneite | (Ca,Mn,Na)2(Zr,Mn+++)5(Sb,Ti,Fe)2O16 |
| 2.920(30.59) | 100 | 2.230(40.41) | 50 | 3.300(27.00) | 50 | Biraite-(Ce) | Ce2Fe++(CO3)(Si2O7) |
| 2.920(30.59) | 100 | 1.516(61.07) | 35 | 1.721(53.18) | 30 | Srilankite | (Ti,Zr)O2 |
| 2.920(30.59) | 100 | 1.740(52.55) | 60 | 3.460(25.73) | 50 | Viseite | Ca10Al24(SiO4)6(PO4)7O22F3•72(H2O) (?) |
| 2.920(30.59) | 100 | 2.980(29.96) | 100 | 3.490(25.50) | 100 | Tvalchrelidzeite | Hg3SbAsS3 |
| 2.920(30.59) | 100 | 3.060(29.16) | 80 | 4.210(21.08) | 60 | Kasolite | Pb(UO2)SiO4•(H2O) |
| 2.920(30.59) | 100 | 3.490(25.50) | 100 | 2.980(29.96) | 100 | Tvalchrelidzeite | Hg3SbAsS3 |
| 2.920(30.59) | 100 | 3.530(25.21) | 54 | 2.710(33.03) | 43 | Uedaite-(Ce) | Mn++CeAl2Fe++(Si2O7)(SiO4)O(OH) |
| 2.920(30.59) | 100 | 3.540(25.14) | 90 | 8.420(10.50) | 80 | Melkovite | CaFe+++H6(MoO4)4(PO4)•6(H2O) |
| 2.920(30.59) | 100 | 3.700(24.03) | 80 | 1.682(54.51) | 65 | Kyzylkumite | V+++2Ti3O9 |
| 2.920(30.59) | 100 | 4.380(20.26) | 90 | 3.440(25.88) | 55 | Tincalconite | Na6[B4O5(OH)4]3•8(H2O) |
| 2.920(30.59) | 100 | 5.930(14.93) | 80 | 4.440(19.98) | 60 | Gonnardite | Na2CaAl4Si6O20•7(H2O) |
| 2.920(30.59) | 100 | 6.710(13.18) | 100 | 4.700(18.87) | 80 | Natroboltwoodite | (H3O)(Na,K)(UO2)SiO4•(H2O) |
| 2.920(30.59) | 100 | 9.380(9.42) | 80 | 1.697(53.99) | 70 | Chabazite-Sr | (Sr,Ca,K2,Na2)[Al2Si4O12]•6(H2O) |
| 2.920(30.59) | 100 | 2.230(40.41) | 50 | 2.650(33.80) | 50 | Biraite-(Ce) | Ce2Fe++(CO3)(Si2O7) |
| 2.920(30.59) | 100 | 1.697(53.99) | 80 | 4.340(20.45) | 70 | Chabazite-Sr | (Sr,Ca,K2,Na2)[Al2Si4O12]•6(H2O) |
| 2.920(30.59) | 100 | 3.590(24.78) | 90 | 2.090(43.25) | 90 | Hydroxylbastnasite-(Ce) | Ce(CO3)(OH) |
| 2.920(30.59) | 100 | 3.220(27.68) | 90 | 2.840(31.47) | 90 | Kurgantaite | CaSr[B5O9]Cl•(H2O) |
| 2.920(30.59) | 100 | 3.300(27.00) | 50 | 2.230(40.41) | 50 | Biraite-(Ce) | Ce2Fe++(CO3)(Si2O7) |
| 2.920(30.59) | 100 | 3.720(23.90) | 100 | 3.510(25.35) | 100 | Neyite | AgCu3Pb12.5Bi13S34 |
| 2.920(30.59) | 100 | 4.760(18.63) | 90 | 3.330(26.75) | 90 | Hillebrandite | Ca6Si3O9(OH)6 |
| 2.920(30.59) | 100 | 3.330(26.75) | 90 | 4.760(18.63) | 90 | Hillebrandite | Ca6Si3O9(OH)6 |
| 2.920(30.59) | 100 | 3.380(26.35) | 100 | 3.020(29.55) | 80 | Barylite | BaBe2Si2O7 |
| 2.920(30.59) | 100 | 3.510(25.35) | 100 | 3.720(23.90) | 100 | Neyite | AgCu3Pb12.5Bi13S34 |
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