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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 |
| 4.247(20.90) | 100 | 4.179(21.24) | 70 | 2.730(32.78) | 60 | Khademite | Al(SO4)F•5(H2O) |
| 4.250(20.88) | 100 | 2.872(31.11) | 90 | 7.030(12.58) | 82 | Ojuelaite | ZnFe+++2(AsO4)2(OH)2•4(H2O) |
| 4.250(20.88) | 100 | 3.060(29.16) | 80 | 3.640(24.43) | 80 | Karasugite | SrCaAl(F,OH)7 |
| 4.250(20.88) | 100 | 4.570(19.41) | 40 | 2.964(30.13) | 20 | Retgersite | NiSO4•6(H2O) |
| 4.250(20.88) | 100 | 3.640(24.43) | 80 | 3.060(29.16) | 80 | Karasugite | SrCaAl(F,OH)7 |
| 4.251(20.88) | 100 | 2.873(31.10) | 100 | 2.768(32.32) | 100 | Vuonnemite | Na11Nb2TiSi4O12(PO4)2O5F2 |
| 4.257(20.85) | 100 | 5.601(15.81) | 60 | 2.919(30.60) | 55 | Struvite | (NH4)MgPO4•6(H2O) |
| 4.258(20.84) | 100 | 7.590(11.65) | 49 | 4.060(21.87) | 48 | Mangazeite | Al2(SO4)(OH)4•3H2O |
| 4.260(20.83) | 100 | 3.335(26.71) | 42 | 5.453(16.24) | 42 | Riomarinaite | Bi(OH)SO4•H2O |
| 4.260(20.83) | 100 | 5.453(16.24) | 42 | 3.335(26.71) | 42 | Riomarinaite | Bi(OH)SO4•H2O |
| 4.260(20.83) | 100 | 3.050(29.26) | 100 | 6.600(13.40) | 90 | Armstrongite | CaZrSi6O15•3(H2O) |
| 4.260(20.83) | 100 | 4.470(19.85) | 100 | 4.120(21.55) | 80 | Chaoite | C |
| 4.260(20.83) | 100 | 4.190(21.19) | 60 | 3.910(22.72) | 50 | Rostite | AlSO4(OH,F)•5(H2O) |
| 4.260(20.83) | 100 | 2.905(30.75) | 90 | 2.048(44.19) | 80 | Calcioancylite-(Nd) | CaNd(CO3)2(OH)•(H2O) |
| 4.260(20.83) | 100 | 3.270(27.25) | 90 | 4.140(21.45) | 80 | Struvite-(K) | KMg(PO4)•6(H2O) |
| 4.270(20.79) | 100 | 3.000(29.76) | 85 | 2.940(30.38) | 85 | Dumontite | Pb2(UO2)3O2(PO4)2•5(H2O) |
| 4.270(20.79) | 100 | 1.388(67.42) | 100 | 2.190(41.19) | 90 | Jeremejevite | Al6B5O15(F,OH)3 |
| 4.270(20.79) | 100 | 8.600(10.28) | 100 | 1.998(45.35) | 95 | Kirgyzstanite | ZnAl4(SO4)(OH)12•3(H2O) |
| 4.270(20.79) | 100 | 2.940(30.38) | 85 | 3.000(29.76) | 85 | Dumontite | Pb2(UO2)3O2(PO4)2•5(H2O) |
| 4.270(20.79) | 100 | 2.119(42.63) | 80 | 2.372(37.90) | 70 | Khatyrkite | (Cu,Zn)Al2 |
| 4.276(20.76) | 100 | 5.160(17.17) | 90 | 5.620(15.76) | 50 | Camerolaite | Cu4Al2[HSbO4,SO4](OH)10(CO3)•2(H2O) |
| 4.279(20.74) | 100 | 3.106(28.72) | 60 | 3.687(24.12) | 40 | Mundrabillaite | (NH4)2Ca(HPO4)2•(H2O) |
| 4.280(20.74) | 100 | 6.970(12.69) | 100 | 4.810(18.43) | 100 | Arthurite | CuFe+++2(AsO4,PO4,SO4)2(O,OH)2•4(H2O) |
| 4.280(20.74) | 100 | 7.630(11.59) | 100 | 3.070(29.06) | 80 | Gypsum | CaSO4•2(H2O) |
| 4.280(20.74) | 100 | 4.810(18.43) | 100 | 6.970(12.69) | 100 | Arthurite | CuFe+++2(AsO4,PO4,SO4)2(O,OH)2•4(H2O) |
| 4.283(20.72) | 100 | 3.021(29.54) | 92 | 10.520(8.40) | 54 | Braitschite-(Ce) | (Ca,Na2)7(Ce,La)2B22O43•7(H2O) |
| 4.290(20.69) | 100 | 5.390(16.43) | 60 | 4.830(18.35) | 45 | Variscite | AlPO4•2(H2O) |
| 4.290(20.69) | 100 | 2.930(30.48) | 89 | 2.060(43.92) | 78 | Kozoite-(Nd) | (Nd,La,Sm,Pr)(CO3)(OH) |
| 4.290(20.69) | 100 | 2.790(32.05) | 70 | 3.220(27.68) | 50 | Sternbergite | AgFe2S3 |
| 4.290(20.69) | 100 | 2.060(43.92) | 89 | 1.892(48.05) | 78 | Kozoite-(Nd) | (Nd,La,Sm,Pr)(CO3)(OH) |
| 4.298(20.65) | 100 | 3.250(27.42) | 55 | 4.053(21.91) | 45 | Alum-(K) | KAl(SO4)2•12(H2O) |
| 4.300(20.64) | 100 | 2.440(36.80) | 100 | 11.500(7.68) | 100 | Ilmajokite | (Na,Ce,La,Ba)2TiSi3O5(OH)10•n(H2O) (?) |
| 4.300(20.64) | 100 | 3.500(25.43) | 100 | 4.810(18.43) | 100 | Halotrichite | Fe++Al2(SO4)4•22(H2O) |
| 4.302(20.63) | 100 | 2.767(32.33) | 51 | 2.670(33.54) | 51 | Hazenite | KNaMg2(PO4)2•14H2O |
| 4.302(20.63) | 100 | 2.670(33.54) | 51 | 2.767(32.33) | 51 | Hazenite | KNaMg2(PO4)2•14H2O |
| 4.310(20.59) | 100 | 3.690(24.10) | 72 | 2.930(30.48) | 57 | Kozoite-(La) | La(CO3)(OH) |
| 4.310(20.59) | 100 | 2.644(33.88) | 100 | 3.380(26.35) | 80 | Montroseite | (V+++,Fe+++,V++++)O(OH) |
| 4.310(20.59) | 100 | 2.192(41.15) | 90 | 3.169(28.14) | 70 | Lukechangite-(Ce) | Na3Ce2(CO3)4F |
| 4.314(20.57) | 100 | 2.962(30.15) | 35 | 3.526(25.24) | 14 | Alum-(Na) | NaAl(SO4)2•12(H2O) |
| 4.314(20.57) | 100 | 2.801(31.92) | 70 | 7.030(12.58) | 54 | Lanmuchangite | TlAl(SO4)2•12(H2O) |
| 4.315(20.57) | 100 | 5.630(15.73) | 100 | 3.136(28.44) | 80 | Carboborite | Ca2Mg(CO3)2B2(OH)8•4(H2O) |
| 4.320(20.54) | 100 | 3.090(28.87) | 100 | 2.710(33.03) | 90 | Pharmacolite | CaHAsO4•2(H2O) |
| 4.320(20.54) | 100 | 3.190(27.95) | 81 | 4.060(21.87) | 57 | Sugilite | KNa2(Fe+++,Mn+++,Al)2Li3Si12O30 |
| 4.320(20.54) | 100 | 4.110(21.60) | 100 | 4.830(18.35) | 100 | Kalinite | KAl(SO4)2•11(H2O) |
| 4.326(20.51) | 100 | 3.676(24.19) | 100 | 2.074(43.60) | 60 | Gysinite-(Nd) | Pb(Nd,La)(CO3)2(OH)•(H2O) |
| 4.327(20.51) | 100 | 4.079(21.77) | 80 | 3.273(27.22) | 75 | Tschermigite | (NH4)Al(SO4)2•12(H2O) |
| 4.329(20.50) | 100 | 2.928(30.51) | 90 | 3.806(23.35) | 90 | Kosnarite | KZr++++2(PO4)3 |
| 4.329(20.50) | 100 | 3.806(23.35) | 90 | 2.928(30.51) | 90 | Kosnarite | KZr++++2(PO4)3 |
| 4.330(20.49) | 100 | 3.520(25.28) | 100 | 4.840(18.31) | 40 | Dietrichite | (Zn,Fe++,Mn)Al2(SO4)4•22(H2O) |
| 4.330(20.49) | 100 | 2.980(29.96) | 90 | 2.330(38.61) | 60 | Zircosulfate | Zr(SO4)2•4(H2O) |
| 4.330(20.49) | 100 | 3.080(28.97) | 80 | 1.931(47.02) | 60 | Monohydrocalcite | CaCO3•(H2O) |
| 4.330(20.49) | 100 | 4.390(20.21) | 65 | 3.060(29.16) | 55 | Mascagnite | (NH4)2SO4 |
| 4.330(20.49) | 100 | 6.110(14.48) | 100 | 2.720(32.90) | 80 | Epistolite | (Na,[ ])2{(Na,Ti)4[Nb2(O,H2O)4Si4O14](OH,F)2}•2H2O |
| 4.330(20.49) | 100 | 1.877(48.46) | 90 | 2.250(40.04) | 70 | Simmonsite | Na2LiAlF6 |
| 4.330(20.49) | 100 | 1.931(47.02) | 80 | 2.170(41.58) | 60 | Monohydrocalcite | CaCO3•(H2O) |
| 4.339(20.45) | 100 | 2.883(30.99) | 50 | 4.067(21.84) | 28 | Shcherbinaite | V2O5 |
| 4.340(20.45) | 100 | 3.710(23.97) | 100 | 2.960(30.17) | 100 | Ancylite-(Ce) | SrCe(CO3)2(OH)•(H2O) |
| 4.350(20.40) | 100 | 1.837(49.58) | 60 | 2.130(42.40) | 60 | Prosopite | CaAL2(F,OH)8 |
| 4.350(20.40) | 100 | 2.890(30.92) | 90 | 3.980(22.32) | 90 | Nickelhexahydrite | (Ni,Mg,Fe++)(SO4)•6(H2O) |
| 4.350(20.40) | 100 | 8.300(10.65) | 90 | 8.700(10.16) | 80 | Diadochite | Fe+++2(PO4)(SO4)(OH)•6(H2O) |
| 4.350(20.40) | 100 | 2.130(42.40) | 60 | 1.837(49.58) | 60 | Prosopite | CaAL2(F,OH)8 |
| 4.350(20.40) | 100 | 3.980(22.32) | 90 | 2.890(30.92) | 90 | Nickelhexahydrite | (Ni,Mg,Fe++)(SO4)•6(H2O) |
| 4.352(20.39) | 100 | 3.209(27.78) | 80 | 3.501(25.42) | 70 | Emeleusite | Na4Li2Fe+++2Si12O30 |
| 4.356(20.37) | 100 | 7.120(12.42) | 70 | 3.289(27.09) | 65 | Lonecreekite | (NH4)(Fe+++,Al)(SO4)2•12(H2O) |
| 4.360(20.35) | 100 | 3.590(24.78) | 100 | 1.540(60.02) | 100 | Neotocite | (Mn,Fe++)SiO3•(H2O) (?) |
| 4.360(20.35) | 100 | 2.060(43.92) | 100 | 3.040(29.36) | 100 | Zemkorite | (Na,K)2Ca(CO3)2 |
| 4.360(20.35) | 100 | 2.885(30.97) | 89 | 3.250(27.42) | 70 | Phosphogartrellite | PbCuFe+++(PO4)2(OH,H2O)2 |
| 4.360(20.35) | 100 | 5.450(16.25) | 100 | 3.090(28.87) | 90 | Mansfieldite | AlAsO4•2(H2O) |
| 4.373(20.29) | 40 | 2.325(38.70) | 40 | 2.116(42.70) | 40 | Tischendorfite | Pd8Hg3Se9 |
| 4.380(20.26) | 100 | 3.190(27.95) | 90 | 2.540(35.31) | 80 | Bertrandite | Be4Si2O7(OH)2 |
| 4.380(20.26) | 100 | 4.020(22.09) | 55 | 5.450(16.25) | 30 | Moorhouseite | (Co,Ni,Mn)SO4•6(H2O) |
| 4.386(20.23) | 100 | 2.662(33.64) | 100 | 4.733(18.73) | 100 | Flinkite | Mn++2Mn+++(AsO4)(OH)4 |
| 4.390(20.21) | 100 | 3.058(29.18) | 90 | 5.090(17.41) | 80 | Eveite | Mn2(AsO4)(OH) |
| 4.390(20.21) | 100 | 1.236(77.10) | 90 | 2.158(41.82) | 80 | Heterogenite-2H | Co+++O(OH) |
| 4.390(20.21) | 100 | 2.987(29.89) | 100 | 2.850(31.36) | 79 | Aqualite | (H3O)8(Na,K,Sr)5Ca6Zr3Si26O66(OH)9Cl |
| 4.390(20.21) | 100 | 4.200(21.14) | 60 | 2.890(30.92) | 50 | Wattevilleite | Na2Ca(SO4)2•4(H2O) (?) |
| 4.390(20.21) | 100 | 5.450(16.25) | 50 | 5.100(17.37) | 45 | Hexahydrite | MgSO4•6(H2O) |
| 4.390(20.21) | 100 | 2.890(30.92) | 60 | 2.950(30.27) | 50 | Wattevilleite | Na2Ca(SO4)2•4(H2O) (?) |
| 4.390(20.21) | 100 | 8.760(10.09) | 100 | 1.996(45.40) | 70 | Bazhenovite | CaS5•CaS2O3•6Ca(OH)2•20(H2O) |
| 4.400(20.16) | 100 | 2.315(38.87) | 80 | 1.804(50.55) | 60 | Heterogenite-3R | Co+++O(OH) |
| 4.400(20.16) | 100 | 3.610(24.64) | 85 | 1.838(49.55) | 21 | Duttonite | V++++O(OH)2 |
| 4.400(20.16) | 100 | 8.790(10.05) | 80 | 2.750(32.53) | 50 | Akrochordite | Mn4Mg(AsO4)2(OH)4•4(H2O) |
| 4.407(20.13) | 100 | 3.280(27.16) | 100 | 4.250(20.88) | 80 | Wulfingite | Zn(OH)2 |
| 4.410(20.12) | 100 | 2.410(37.28) | 95 | 2.120(42.61) | 90 | Fluoborite | Mg3(BO3)(F,OH)3 |
| 4.415(20.10) | 100 | 3.821(23.26) | 80 | 2.702(33.13) | 60 | Boleite | KPb26Ag9Cu24Cl62(OH)48 |
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