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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 |
| 4.000(22.21) | 100 | 2.644(33.88) | 80 | 3.200(27.86) | 80 | Reinerite | Zn3(As+++O3)2 |
| 4.000(22.21) | 100 | 3.258(27.35) | 75 | 3.188(27.96) | 75 | Orlandiite | Pb3(Cl,OH)4(SeO3)•(H2O) |
| 4.000(22.21) | 100 | 3.800(23.39) | 70 | 2.990(29.86) | 50 | Paracelsian | BaAl2Si2O8 |
| 4.000(22.21) | 100 | 3.200(27.86) | 80 | 2.644(33.88) | 80 | Reinerite | Zn3(As+++O3)2 |
| 4.000(22.21) | 100 | 3.188(27.96) | 75 | 3.258(27.35) | 75 | Orlandiite | Pb3(Cl,OH)4(SeO3)•(H2O) |
| 4.000(22.21) | 100 | 3.406(26.14) | 100 | 3.050(29.26) | 100 | Calciouranoite | (Ca,Ba,Pb)U2O7•5(H2O) |
| 4.010(22.15) | 100 | 3.270(27.25) | 100 | 1.998(45.35) | 80 | Kukharenkoite-(La) | Ba2(La,Ce)(CO3)3F |
| 4.010(22.15) | 100 | 2.340(38.44) | 100 | 3.640(24.43) | 90 | Beryllite | Be3SiO4(OH)2•(H2O) |
| 4.014(22.13) | 100 | 10.330(8.55) | 100 | 3.435(25.92) | 90 | Kanemite | NaHSi2O5•3(H2O) |
| 4.020(22.09) | 100 | 2.296(39.20) | 80 | 2.377(37.82) | 60 | Barstowite | Pb4(CO3)Cl6•(H2O) |
| 4.020(22.09) | 100 | 2.480(36.19) | 100 | 2.760(32.41) | 90 | Chkalovite | Na2BeSi2O6 |
| 4.020(22.09) | 100 | 3.210(27.77) | 100 | 2.510(35.74) | 80 | Petscheckite | U++++Fe++(Nb,Ta)2O8 |
| 4.020(22.09) | 100 | 1.963(46.21) | 90 | 1.996(45.40) | 80 | Thomsenolite | NaCaAlF6•(H2O) |
| 4.020(22.09) | 100 | 3.507(25.38) | 100 | 3.441(25.87) | 100 | Nalipoite | NaLi2PO4 |
| 4.030(22.04) | 100 | 11.600(7.61) | 32 | 2.114(42.74) | 16 | Tschernichite | (Ca,Na)(Si6Al2)O16•4-8(H2O) |
| 4.030(22.04) | 100 | 2.554(35.11) | 90 | 2.970(30.06) | 60 | Kipushite | (Cu,Zn)5Zn(PO4)2(OH)6•(H2O) |
| 4.030(22.04) | 100 | 2.114(42.74) | 32 | 3.156(28.25) | 16 | Tschernichite | (Ca,Na)(Si6Al2)O16•4-8(H2O) |
| 4.040(21.98) | 100 | 3.330(26.75) | 80 | 2.570(34.88) | 80 | Vrbaite | Tl4Hg3Sb2As8S20 |
| 4.040(21.98) | 100 | 2.570(34.88) | 80 | 3.330(26.75) | 80 | Vrbaite | Tl4Hg3Sb2As8S20 |
| 4.040(21.98) | 100 | 2.840(31.47) | 100 | 5.710(15.51) | 80 | IMA2007-047 | Pb2[B5O9]Cl•0.5H2O |
| 4.050(21.93) | 100 | 2.485(36.12) | 20 | 2.841(31.46) | 13 | Cristobalite | SiO2 |
| 4.054(21.91) | 100 | 9.100(9.71) | 100 | 3.028(29.47) | 80 | Barrerite | (Na,K,Ca)2Al2Si7O18•6(H2O) |
| 4.060(21.87) | 100 | 1.814(50.25) | 60 | 1.657(55.40) | 40 | Burtite | CaSn(OH)6 |
| 4.060(21.87) | 100 | 2.320(38.78) | 65 | 2.550(35.16) | 60 | Ramsdellite | MnO2 |
| 4.070(21.82) | 100 | 2.662(33.64) | 60 | 3.495(25.46) | 50 | Diomignite | Li2B4O7 |
| 4.076(21.79) | 100 | 2.806(31.87) | 68 | 3.053(29.23) | 67 | Parascorodite | Fe+++AsO4•2(H2O) |
| 4.079(21.77) | 100 | 8.150(10.85) | 90 | 2.790(32.05) | 85 | Kinichilite | Mg0.5[Mn++Fe+++(TeO3)3]•4.5(H2O) |
| 4.080(21.76) | 100 | 5.930(14.93) | 71 | 6.680(13.24) | 71 | Legrandite | Zn2(AsO4)(OH)•(H2O) |
| 4.080(21.76) | 100 | 6.490(13.63) | 80 | 4.720(18.78) | 80 | Rosslerite | Mg(AsO3OH)•7(H2O) |
| 4.080(21.76) | 100 | 6.680(13.24) | 71 | 5.930(14.93) | 71 | Legrandite | Zn2(AsO4)(OH)•(H2O) |
| 4.080(21.76) | 100 | 3.250(27.42) | 100 | 2.610(34.33) | 100 | Thorosteenstrupine | (Ca,Th,Mn)3Si4O11F•6(H2O) |
| 4.080(21.76) | 100 | 2.510(35.74) | 90 | 1.820(50.08) | 80 | Gutsevichite | Al3(PO4)2(OH)3•8(H2O) |
| 4.080(21.76) | 100 | 4.720(18.78) | 80 | 6.490(13.63) | 80 | Rosslerite | Mg(AsO3OH)•7(H2O) |
| 4.089(21.72) | 100 | 2.404(37.38) | 100 | 2.632(34.03) | 33 | Tsumgallite | GaO(OH) |
| 4.090(21.71) | 100 | 2.650(33.80) | 80 | 2.546(35.22) | 70 | Bracewellite | Cr+++O(OH) |
| 4.100(21.66) | 100 | 2.924(30.55) | 100 | 7.250(12.20) | 70 | Petarasite | Na5Zr2Si6O18(Cl,OH)•2(H2O) |
| 4.100(21.66) | 100 | 3.734(23.81) | 90 | 4.815(18.41) | 80 | Deloryite | Cu++4(UO2)(MoO4)2(OH)6 |
| 4.100(21.66) | 100 | 12.900(6.85) | 90 | 2.960(30.17) | 80 | Gmelinite-Ca | (Ca,Na2)Al2Si4O12•6(H2O) |
| 4.100(21.66) | 100 | 3.100(28.77) | 71 | 2.327(38.66) | 71 | Behierite | (Ta,Nb)BO4 |
| 4.100(21.66) | 100 | 2.815(31.76) | 80 | 8.190(10.79) | 65 | Levyne-Na | (Na2,Ca,K2)Al2Si4O12•6(H2O) |
| 4.100(21.66) | 100 | 2.815(31.76) | 80 | 8.190(10.79) | 65 | Levyne-Ca | (Ca,Na2,K2)Al2Si4O12•6(H2O) |
| 4.100(21.66) | 100 | 2.650(33.80) | 75 | 2.880(31.03) | 50 | Bischofite | MgCl2•6(H2O) |
| 4.100(21.66) | 100 | 2.327(38.66) | 71 | 3.100(28.77) | 71 | Behierite | (Ta,Nb)BO4 |
| 4.100(21.66) | 100 | 12.900(6.85) | 90 | 2.960(30.17) | 80 | Gmelinite-Na | (Na2,Ca)Al2Si4O12•6(H2O) |
| 4.107(21.62) | 100 | 4.328(20.50) | 90 | 3.818(23.28) | 50 | Tridymite | SiO2 |
| 4.109(21.61) | 100 | 2.905(30.75) | 90 | 7.141(12.38) | 80 | Brannockite | KSn2Li3Si12O30 |
| 4.109(21.61) | 100 | 4.217(21.05) | 87 | 5.837(15.17) | 66 | Quenstedtite | Fe+++2(SO4)3•10(H2O) |
| 4.110(21.60) | 100 | 2.719(32.91) | 100 | 1.817(50.17) | 80 | Gmelinite-K | (K,Na,Ca)6(Al7Si17O48)•22(H2O) |
| 4.110(21.60) | 100 | 4.830(18.35) | 100 | 4.320(20.54) | 100 | Kalinite | KAl(SO4)2•11(H2O) |
| 4.110(21.60) | 100 | 4.320(20.54) | 100 | 4.830(18.35) | 100 | Kalinite | KAl(SO4)2•11(H2O) |
| 4.115(21.58) | 100 | 3.110(28.68) | 84 | 2.328(38.64) | 49 | Schiavinatoite | (Nb,Ta)BO4 |
| 4.116(21.57) | 100 | 3.201(27.85) | 100 | 7.110(12.44) | 100 | Gobbinsite | (Na2,Ca)2K2Al6Si10O32•12(H2O) |
| 4.120(21.55) | 100 | 3.140(28.40) | 100 | 2.660(33.67) | 100 | Garronite | Na2Ca5Al12Si20O64•27(H2O) |
| 4.128(21.51) | 100 | 2.669(33.55) | 54 | 2.808(31.84) | 51 | Suredaite | PbSnS3 |
| 4.128(21.51) | 100 | 1.934(46.94) | 54 | 2.669(33.55) | 51 | Suredaite | PbSnS3 |
| 4.130(21.50) | 100 | 3.200(27.86) | 50 | 3.150(28.31) | 40 | Umohoite | [(UO2)MoO4]•H2O |
| 4.131(21.49) | 100 | 5.495(16.12) | 75 | 2.670(33.54) | 45 | Ottemannite | Sn2S3 |
| 4.137(21.46) | 100 | 12.200(7.24) | 36 | 5.642(15.69) | 29 | Hematolite | (Mn,Mg,Al)15(AsO3)(AsO4)2(OH)23 |
| 4.140(21.45) | 100 | 3.340(26.67) | 96 | 6.690(13.22) | 61 | Ekanite | ThCa2Si8O20 |
| 4.140(21.45) | 100 | 2.847(31.40) | 100 | 7.140(12.39) | 100 | Silinaite | NaLiSi2O5•2(H2O) |
| 4.144(21.42) | 100 | 2.917(30.62) | 90 | 2.413(37.23) | 80 | Laflammeite | Pd3Pb2S2 |
| 4.146(21.41) | 100 | 2.989(29.87) | 100 | 2.495(35.97) | 90 | Routhierite | TlCu(Hg,Zn)2(As,Sb)2S3 |
| 4.149(21.40) | 100 | 2.957(30.20) | 90 | 3.594(24.75) | 80 | Baumhauerite | Pb3As4S9 |
| 4.150(21.39) | 100 | 3.780(23.52) | 70 | 2.700(33.15) | 70 | Orthochevkinite | (Ce,La,Ca,Na,Th)4(Fe++,Mg)2(Ti,Fe+++)3Si4O22 |
| 4.150(21.39) | 100 | 2.700(33.15) | 70 | 3.780(23.52) | 70 | Orthochevkinite | (Ce,La,Ca,Na,Th)4(Fe++,Mg)2(Ti,Fe+++)3Si4O22 |
| 4.153(21.38) | 100 | 3.759(23.65) | 80 | 2.119(42.63) | 70 | Nickelboussingaultite | (NH4)2(Ni,Mg)(SO4)2•6(H2O) |
| 4.160(21.34) | 100 | 2.550(35.16) | 100 | 12.300(7.18) | 100 | Stilpnomelane | K(Fe++,Mg,Fe+++)8(Si,Al)12(O,OH)27•n(H2O) |
| 4.160(21.34) | 100 | 3.850(23.08) | 100 | 5.800(15.26) | 80 | Lansfordite | MgCO3•5(H2O) |
| 4.160(21.34) | 100 | 2.340(38.44) | 100 | 3.190(27.95) | 80 | Widenmannite | Pb2(UO2)(CO3)3 |
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