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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 |
| 2.892(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 | 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 |
| 2.894(30.87) | 100 | 2.722(32.88) | 90 | 4.205(21.11) | 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 | 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 | 2.996(29.80) | 100 | 3.363(26.48) | 100 | Gustavite | PbAgBi3S6 (?) |
| 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 | 2.711(33.01) | 90 | 7.081(12.49) | 80 | Rouvilleite | Na3Ca2(CO3)3F |
| 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 | 2.912(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 | 2.969(30.07) | 100 | 2.755(32.47) | 70 | Scandiobabingtonite | Ca2(Fe++,Mn)ScSi5O14(OH) |
| 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 | 2.691(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 | 2.662(33.64) | 58 | 2.707(33.06) | 43 | Manganiandrosite-(Ce) | (Mn++,Ca)(Ce,REE)AlMn+++Mn++(Si2O7)(SiO4)O(OH) |
| 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 | 2.640(33.93) | 70 | 1.690(54.23) | 70 | Shcherbakovite | KKNaTi2O(OH)[Si4O12] |
| 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 | 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 | 2.860(31.25) | 100 | 2.740(32.65) | 100 | Kentrolite | Pb2Mn+++2Si2O9 |
| 2.900(30.81) | 100 | 1.152(83.93) | 50 | 1.450(64.18) | 40 | Allendeite | Sc4Zr3O12 |
| 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 | 3.020(29.55) | 100 | 3.210(27.77) | 80 | Pigeonite | (Mg,Fe++,Ca)(Mg,Fe++)Si2O6 |
| 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 | 2.790(32.05) | 48 | 2.700(33.15) | 26 | Clinozoisite-(Sr) | CaSrAl3(Si2O7)(SiO4)O(OH) |
| 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 | 3.180(28.04) | 60 | 1.781(51.25) | 30 | Leightonite | K2Ca2Cu(SO4)4•2(H2O) |
| 2.900(30.81) | 100 | 6.369(13.89) | 90 | 4.416(20.09) | 80 | Aegirine | NaFe+++Si2O6 |
| 2.900(30.81) | 100 | 1.690(54.23) | 70 | 2.640(33.93) | 70 | Shcherbakovite | KKNaTi2O(OH)[Si4O12] |
| 2.900(30.81) | 100 | 4.698(18.87) | 50 | 1.152(83.93) | 40 | Allendeite | Sc4Zr3O12 |
| 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 | 2.740(32.65) | 50 | 3.790(23.45) | 50 | Pumpellyite-(Mg) | Ca2MgAl2(SiO4)(Si2O7)(OH)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 | 2.960(30.17) | 100 | 10.130(8.72) | 100 | Rudenkoite | Sr3Al3[(Si,Al)4O10](OH,O)8Cl2•H2O |
| 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 | 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) |
| 2.902(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 | 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 | 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 | 15.700(5.62) | 100 | 3.280(27.16) | 75 | Chiavennite | CaMnBe2Si5O13(OH)2•2(H2O) |
| 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 | 2.826(31.63) | 90 | 3.430(25.96) | 60 | Turneaureite | Ca5[(As,P)O4]3Cl |
| 2.907(30.73) | 100 | 3.421(26.02) | 100 | 3.652(24.35) | 80 | Pollucite | (Cs,Na)2Al2Si4O12•(H2O) |
| 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 |
| 2.908(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 |
| 2.909(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 | 3.490(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 | 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 | 3.340(26.67) | 70 | 2.600(34.47) | 55 | Schuetteite | Hg3(SO4)O2 |
| 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 | 2.620(34.20) | 100 | 3.880(22.90) | 60 | Kleinite | Hg2N(Cl,SO4)•n(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 | 4.420(20.07) | 80 | 2.870(31.14) | 80 | Bartelkeite | PbFe++Ge3O8 |
| 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 | 3.440(25.88) | 95 | 3.430(25.96) | 95 | Vanthoffite | Na6Mg(SO4)4 |
| 2.910(30.70) | 100 | 5.180(17.10) | 80 | 2.320(38.78) | 70 | Chiolite | Na5Al3F14 |
| 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 | 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 | 3.430(25.96) | 95 | 3.440(25.88) | 95 | Vanthoffite | Na6Mg(SO4)4 |
| 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 | 4.610(19.24) | 90 | 3.000(29.76) | 80 | Ferrosilite | (Fe++,Mg)2Si2O6 |
| 2.910(30.70) | 100 | 2.820(31.70) | 90 | 2.840(31.47) | 90 | Svabite | Ca5(AsO4)3F |
| 2.910(30.70) | 100 | 2.870(31.14) | 80 | 4.420(20.07) | 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 | 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 | 2.750(32.53) | 60 | 3.790(23.45) | 60 | Pumpellyite-(Fe++) | Ca2Fe++(Al,Fe+++)2(SiO4)(Si2O7)(OH)2•(H2O) |
| 2.910(30.70) | 100 | 2.630(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 | 2.160(41.78) | 50 | 3.390(26.27) | 50 | Batisite | BaNaNaTi2O2[Si4O12] |
| 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] |
| 2.911(30.69) | 100 | 2.955(30.22) | 90 | 3.286(27.11) | 90 | Symesite | Pb10(SO4)O7Cl4•(H2O) |
| 2.911(30.69) | 100 | 4.950(17.90) | 88 | 3.596(24.74) | 79 | Hydroxylbastnasite-(Nd) | Nd(CO3)(OH) |
| 2.912(30.68) | 100 | 2.187(41.24) | 90 | 1.959(46.31) | 70 | Temagamite | Pd3HgTe3 |
| 2.912(30.68) | 100 | 4.260(20.83) | 90 | 3.800(23.39) | 70 | Picotpaulite | TlFe2S3 |
| 2.912(30.68) | 100 | 2.832(31.57) | 90 | 2.569(34.90) | 80 | Taikanite | (Ba,Sr)2Mn+++2Si4O12 |
| 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 | 2.732(32.75) | 100 | 5.523(16.03) | 80 | Melanotekite | Pb2Fe+++2Si2O9 |
| 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 |
| 2.915(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 | 1.895(47.97) | 75 | 2.756(32.46) | 61 | Takedaite | Ca3(BO3)2 |
| 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 | 2.793(32.02) | 90 | 2.017(44.90) | 74 | Tin | Sn |
| 2.915(30.64) | 100 | 4.204(21.12) | 40 | 5.872(15.08) | 31 | Fluorcanasite | K3Na3Ca5Si12O30F4•H2O |
| 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) |
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