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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 |
| 2.399(37.46) | 100 | 1.654(55.51) | 80 | 3.110(28.68) | 80 | Cryptomelane | K(Mn++++,Mn++)8O16 |
| 2.399(37.46) | 100 | 3.110(28.68) | 80 | 1.654(55.51) | 80 | Cryptomelane | K(Mn++++,Mn++)8O16 |
| 2.400(37.44) | 100 | 1.945(46.66) | 100 | 3.020(29.55) | 100 | Chvilevaite | Na(Cu,Fe,Zn)2S2 |
| 2.400(37.44) | 100 | 2.300(39.13) | 100 | 2.700(33.15) | 100 | Bornhardtite | Co++Co+++2Se4 |
| 2.404(37.38) | 100 | 4.089(21.72) | 100 | 2.632(34.03) | 33 | Tsumgallite | GaO(OH) |
| 2.405(37.36) | 100 | 1.701(53.85) | 45 | 2.778(32.20) | 34 | Lime | CaO |
| 2.406(37.34) | 100 | 7.017(12.60) | 98 | 3.136(28.44) | 92 | Manjiroite | (Na,K)(Mn++++,Mn++)8O16•n(H2O) |
| 2.408(37.31) | 100 | 1.419(65.75) | 80 | 2.052(44.10) | 70 | Magnesiotaaffeite-6N3S | (Mg,Fe++,Zn)2Al6BeO12 |
| 2.410(37.28) | 100 | 1.522(60.81) | 100 | 3.360(26.51) | 90 | Shirokshinite | K(NaMg2)Si4O10F2 |
| 2.410(37.28) | 100 | 4.470(19.85) | 100 | 3.132(28.47) | 30 | Reichenbachite | Cu++5(PO4)2(OH)4 |
| 2.410(37.28) | 100 | 2.190(41.19) | 85 | 3.480(25.58) | 60 | Romanechite | (Ba,H2O)2(Mn++++,Mn+++)5O10 |
| 2.410(37.28) | 100 | 1.537(60.15) | 60 | 2.300(39.13) | 50 | Maldonite | Au2Bi |
| 2.410(37.28) | 100 | 1.390(67.31) | 100 | 10.800(8.18) | 100 | Glucine | CaBe4(PO4)2(OH)4•0.5(H2O) |
| 2.420(37.12) | 100 | 2.850(31.36) | 90 | 1.550(59.60) | 60 | Ferronigerite-2N1S | (Zn,Mg,Fe++)(Sn,Zn)2(Al,Fe+++)12O22(OH)2 |
| 2.420(37.12) | 100 | 2.710(33.03) | 100 | 2.850(31.36) | 80 | Crednerite | CuMnO2 |
| 2.420(37.12) | 100 | 2.100(43.04) | 50 | 3.050(29.26) | 40 | Telargpalite | (Pd,Ag)3Te |
| 2.420(37.12) | 100 | 1.425(65.44) | 80 | 2.600(34.47) | 80 | Zincohogbomite-2N2S | (Zn,Fe++)(2-2x)(Ti)xAl4O8 |
| 2.420(37.12) | 100 | 2.600(34.47) | 80 | 1.425(65.44) | 80 | Zincohogbomite-2N2S | (Zn,Fe++)(2-2x)(Ti)xAl4O8 |
| 2.422(37.09) | 100 | 4.450(19.94) | 82 | 2.573(34.84) | 65 | Hydroxylborite | Mg3(BO3)(OH,F)3 |
| 2.422(37.09) | 100 | 2.856(31.29) | 80 | 1.426(65.39) | 50 | Ferrotaaffeite-6N3S | (Fe++,Zn,Mg)2Al6BeO12 |
| 2.423(37.07) | 100 | 2.846(31.41) | 90 | 1.414(66.02) | 50 | Magnesionigerite-6N6S | (Mg,Zn,Fe+++,Al)4(Sn,Fe+++)2Al10O22(OH)2 |
| 2.423(37.07) | 100 | 2.846(31.41) | 90 | 1.414(66.02) | 50 | Magnesionigerite-2N1S | (Mg,Zn,Fe+++,Al)4(Sn,Fe+++)2Al10O22(OH)2 |
| 2.423(37.07) | 100 | 2.246(40.11) | 90 | 1.371(68.37) | 80 | Atheneite | (Pd,Hg)3As |
| 2.426(37.02) | 100 | 2.891(30.91) | 85 | 2.813(31.78) | 80 | Selenojalpaite | Ag3CuSe2 |
| 2.427(37.01) | 100 | 2.603(34.43) | 88 | 1.430(65.18) | 56 | Ferrohogbomite-2N2S | (Fe++,Zn,Mg,Al)6Al14(Ti,Fe)2O30(OH)2 |
| 2.430(36.96) | 100 | 2.050(44.14) | 80 | 1.428(65.29) | 80 | Magnesiotaaffeite-2N2S | Mg3Al8BeO16 |
| 2.430(36.96) | 100 | 2.600(34.47) | 50 | 1.430(65.18) | 50 | Magnesiohogbomite-2N2S | (Al,Fe++,Fe+++,Mg,Ti,Zn)11O15(OH) |
| 2.430(36.96) | 100 | 1.436(64.88) | 80 | 1.978(45.84) | 60 | Magnesiohogbomite-2N3S | (Mg,Fe++)1.4Ti0.3Al4O8 |
| 2.430(36.96) | 100 | 8.270(10.69) | 100 | 3.240(27.51) | 100 | Calclacite | Ca[Cl2/CH3COO]•10(H2O) |
| 2.430(36.96) | 100 | 1.426(65.39) | 80 | 1.436(64.88) | 60 | Magnesiohogbomite-2N3S | (Mg,Fe++)1.4Ti0.3Al4O8 |
| 2.430(36.96) | 100 | 1.428(65.29) | 80 | 2.050(44.14) | 80 | Magnesiotaaffeite-2N2S | Mg3Al8BeO16 |
| 2.430(36.96) | 100 | 1.430(65.18) | 50 | 2.600(34.47) | 50 | Magnesiohogbomite-2N2S | (Al,Fe++,Fe+++,Mg,Ti,Zn)11O15(OH) |
| 2.430(36.96) | 100 | 2.240(40.23) | 50 | 1.838(49.55) | 30 | Palladodymite | (Pd,Rh)2As |
| 2.430(36.96) | 100 | 2.880(31.03) | 50 | 1.480(62.73) | 40 | Aguilarite | Ag4SeS |
| 2.430(36.96) | 100 | 3.240(27.51) | 100 | 8.270(10.69) | 100 | Calclacite | Ca[Cl2/CH3COO]•10(H2O) |
| 2.430(36.96) | 100 | 3.469(25.66) | 90 | 2.744(32.61) | 85 | Liebenbergite | (Ni,Mg)2SiO4 |
| 2.435(36.88) | 100 | 1.990(45.55) | 100 | 1.420(65.70) | 60 | Surinamite | (Mg,Fe++)3Al4BeSi3O16 |
| 2.435(36.88) | 100 | 1.869(48.68) | 90 | 5.710(15.51) | 80 | Dayingite | CuCoPtS4 |
| 2.435(36.88) | 6 | 6.160(14.37) | 10 | 1.984(45.69) | 25 | Horomanite | Fe6Ni3S8 |
| 2.436(36.87) | 100 | 2.021(44.81) | 70 | 1.429(65.24) | 60 | Spinel | MgAl2O4 |
| 2.438(36.84) | 100 | 2.861(31.24) | 84 | 1.429(65.24) | 43 | Gahnite | ZnAl2O4 |
| 2.438(36.84) | 100 | 3.722(23.89) | 90 | 3.475(25.61) | 50 | Holtedahlite | Mg12(PO3OH,CO3)(PO4)5(OH,O)6 |
| 2.440(36.80) | 100 | 2.870(31.14) | 60 | 1.434(64.98) | 60 | Magnesiohogbomite-6N6S | (Mg,Fe++)1.4Ti0.3Al4O8 |
| 2.440(36.80) | 100 | 11.500(7.68) | 100 | 4.300(20.64) | 100 | Ilmajokite | (Na,Ce,La,Ba)2TiSi3O5(OH)10•n(H2O) (?) |
| 2.440(36.80) | 100 | 1.900(47.83) | 100 | 1.672(54.86) | 100 | Malyshevite | PdCuBiS3 |
| 2.440(36.80) | 100 | 1.434(64.98) | 60 | 2.870(31.14) | 60 | Magnesiohogbomite-6N6S | (Mg,Fe++)1.4Ti0.3Al4O8 |
| 2.440(36.80) | 100 | 4.300(20.64) | 100 | 11.500(7.68) | 100 | Ilmajokite | (Na,Ce,La,Ba)2TiSi3O5(OH)10•n(H2O) (?) |
| 2.445(36.73) | 100 | 2.011(45.04) | 85 | 2.010(45.07) | 61 | Khmaralite | (Mg,Al,Fe)16(Al,Si,Be)12O40 |
| 2.445(36.73) | 100 | 4.820(18.39) | 100 | 9.600(9.20) | 100 | Asbolane | (Co,Ni)1-y(Mn++++O2)2-x(OH)2-2y+2x•n(H2O) |
| 2.445(36.73) | 100 | 9.600(9.20) | 100 | 4.820(18.39) | 100 | Asbolane | (Co,Ni)1-y(Mn++++O2)2-x(OH)2-2y+2x•n(H2O) |
| 2.447(36.70) | 100 | 1.434(64.98) | 58 | 2.028(44.65) | 58 | Ringwoodite | Mg2SiO4 |
| 2.447(36.70) | 100 | 2.028(44.65) | 58 | 1.434(64.98) | 58 | Ringwoodite | Mg2SiO4 |
| 2.448(36.68) | 100 | 2.952(30.25) | 100 | 4.370(20.30) | 70 | Purpurite | Mn+++PO4 |
| 2.450(36.65) | 100 | 1.970(46.03) | 60 | 2.250(40.04) | 60 | Ferrihydrite | Fe+++2O3•0.5(H2O) |
| 2.450(36.65) | 100 | 4.720(18.78) | 90 | 1.826(49.90) | 60 | Pyrochroite | Mn(OH)2 |
| 2.450(36.65) | 100 | 2.970(30.06) | 90 | 4.900(18.09) | 90 | Adamite | Zn2(AsO4)(OH) |
| 2.450(36.65) | 100 | 4.900(18.09) | 90 | 2.970(30.06) | 90 | Adamite | Zn2(AsO4)(OH) |
| 2.450(36.65) | 100 | 2.250(40.04) | 60 | 1.970(46.03) | 60 | Ferrihydrite | Fe+++2O3•0.5(H2O) |
| 2.450(36.65) | 100 | 2.680(33.41) | 100 | 1.806(50.49) | 90 | Penroseite | (Ni,Co,Cu)Se2 |
| 2.450(36.65) | 100 | 2.040(44.37) | 70 | 1.440(64.68) | 60 | Wadsleyite | (Mg,Fe++)2SiO4 |
| 2.452(36.62) | 100 | 4.310(20.59) | 90 | 3.460(25.73) | 85 | Heterosite | Fe+++PO4 |
| 2.453(36.60) | 100 | 2.589(34.62) | 50 | 2.743(32.62) | 90 | Fluorvesuvianite | Ca19(Al,Mg)13[SiO4]10[Si2O7]4(F,OH)10 |
| 2.456(36.56) | 100 | 1.720(53.21) | 100 | 4.230(20.98) | 100 | Hisingerite | Fe+++2Si2O5(OH)4•2(H2O) |
| 2.458(36.53) | 100 | 3.883(22.88) | 70 | 2.512(35.71) | 70 | Forsterite | Mg2SiO4 |
| 2.458(36.53) | 100 | 2.512(35.71) | 70 | 3.883(22.88) | 70 | Forsterite | Mg2SiO4 |
| 2.458(36.53) | 100 | 2.929(30.49) | 58 | 3.388(26.28) | 56 | Clinobarylite | BaBe2Si2O7 |
| 2.460(36.49) | 100 | 1.441(64.63) | 42 | 1.569(58.80) | 36 | Hercynite | Fe++Al2O4 |
| 2.460(36.49) | 100 | 2.950(30.27) | 100 | 2.620(34.20) | 100 | Gaudefroyite | Ca4Mn+++3-x(BO3)3(CO3)(O,OH)3 |
| 2.460(36.49) | 100 | 2.620(34.20) | 100 | 2.950(30.27) | 100 | Gaudefroyite | Ca4Mn+++3-x(BO3)3(CO3)(O,OH)3 |
| 2.462(36.46) | 100 | 2.707(33.06) | 90 | 3.040(29.36) | 80 | Hetaerolite | ZnMn+++2O4 |
| 2.465(36.42) | 100 | 2.135(42.30) | 37 | 1.510(61.34) | 27 | Cuprite | Cu2O |
| 2.470(36.34) | 100 | 2.660(33.67) | 80 | 3.020(29.55) | 70 | Hydrohetaerolite | Zn2Mn+++4O8•(H2O) |
| 2.470(36.34) | 100 | 1.646(55.81) | 45 | 2.850(31.36) | 40 | Mcconnellite | CuCrO2 |
| 2.472(36.31) | 100 | 2.260(39.86) | 90 | 2.022(44.79) | 60 | Oulankaite | (Pd,Pt)5(Cu,Fe)4SnTe2S2 |
| 2.473(36.30) | 100 | 2.840(31.47) | 80 | 3.520(25.28) | 70 | Satterlyite | (Fe++,Mg)2(PO4)(OH) |
| 2.476(36.25) | 100 | 2.816(31.75) | 71 | 2.602(34.44) | 56 | Zincite | (Zn,Mn)O |
| 2.477(36.24) | 100 | 2.626(34.11) | 100 | 2.429(36.98) | 80 | Menshikovite | Pd3Ni2As3 |
| 2.480(36.19) | 100 | 2.690(33.28) | 100 | 8.000(11.05) | 80 | Northupite | Na3Mg(CO3)2Cl |
| 2.480(36.19) | 100 | 4.020(22.09) | 100 | 2.760(32.41) | 90 | Chkalovite | Na2BeSi2O6 |
| 2.480(36.19) | 100 | 4.300(20.64) | 90 | 2.930(30.48) | 80 | Simferite | Li(Mg,Fe+++,Mn+++)2(PO4)2 |
| 2.480(36.19) | 100 | 1.450(64.18) | 100 | 2.043(44.30) | 90 | Bityite | CaLiAl2(AlBeSi2)O10(OH)2 |
| 2.480(36.19) | 100 | 1.755(52.07) | 100 | 3.000(29.76) | 80 | Trustedtite | Ni3Se4 |
| 2.485(36.12) | 100 | 1.506(61.52) | 100 | 1.483(62.58) | 90 | Manganoneptunite | KNa2Li(Mn,Fe++)2Ti2Si8O24 |
| 2.489(36.06) | 100 | 2.562(34.99) | 100 | 4.720(18.78) | 100 | Cornubite | Cu5(AsO4)2(OH)4 |
| 2.489(36.06) | 100 | 4.720(18.78) | 100 | 2.562(34.99) | 100 | Cornubite | Cu5(AsO4)2(OH)4 |
| 2.490(36.04) | 100 | 1.466(63.39) | 70 | 1.593(57.83) | 60 | Magnesiochromite | MgCr2O4 |
| 2.490(36.04) | 100 | 2.770(32.29) | 90 | 1.544(59.85) | 80 | Hausmannite | Mn++Mn+++2O4 |
| 2.490(36.04) | 100 | 3.336(26.70) | 100 | 4.800(18.47) | 80 | Parakhinite | Cu++3PbTe++++++O4(OH)6 |
| 2.491(36.03) | 100 | 3.451(25.79) | 90 | 4.866(18.22) | 80 | Khinite | PbCu++3Te++++++O6(OH)2 |
| 2.492(36.01) | 100 | 2.921(30.58) | 60 | 1.460(63.69) | 45 | Galaxite | (Mn,Mg)(Al,Fe+++)2O4 |
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