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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 |
| 2.843(31.44) | 100 | 1.603(57.44) | 90 | 2.728(32.80) | 80 | Macedonite | PbTiO3 |
| 2.845(31.42) | 100 | 1.870(48.65) | 40 | 2.822(31.68) | 40 | Fluorbritholite-(Ce) | (Ca,Ce,La,Na)5(SiO4,PO4)3(OH,F) |
| 2.845(31.42) | 100 | 2.822(31.68) | 40 | 1.870(48.65) | 40 | Fluorbritholite-(Ce) | (Ca,Ce,La,Na)5(SiO4,PO4)3(OH,F) |
| 2.846(31.41) | 100 | 2.013(45.00) | 70 | 1.644(55.88) | 21 | Oldhamite | (Ca,Mg,Fe)S |
| 2.846(31.41) | 100 | 3.089(28.88) | 86 | 2.634(34.01) | 84 | Ciprianiite | Ca4[(Th,U)(REE)]2(Al,[ ])2[Si4B4O22](OH,F)2 |
| 2.847(31.40) | 100 | 4.140(21.45) | 100 | 7.140(12.39) | 100 | Silinaite | NaLiSi2O5•2(H2O) |
| 2.847(31.40) | 100 | 7.140(12.39) | 100 | 4.140(21.45) | 100 | Silinaite | NaLiSi2O5•2(H2O) |
| 2.848(31.38) | 100 | 2.971(30.05) | 78 | 4.300(20.64) | 53 | Golyshevite | (Na,Ca)10Ca9(Fe+++,Fe++)2Zr3NbSi25O72(CO3)(OH)3•H2O |
| 2.849(31.37) | 100 | 3.100(28.77) | 50 | 3.071(29.05) | 50 | Foordite | Sn++(Nb,Ta)2O6 |
| 2.849(31.37) | 100 | 3.464(25.70) | 100 | 3.594(24.75) | 90 | Pavonite | (Ag,Cu)(Bi,Pb)3S5 |
| 2.849(31.37) | 100 | 3.071(29.05) | 50 | 3.100(28.77) | 50 | Foordite | Sn++(Nb,Ta)2O6 |
| 2.849(31.37) | 100 | 2.970(30.06) | 83 | 3.204(27.82) | 38 | Carbokentbrooksite | (Na,[ ])12(Na,Ce)3Ca6Mn3Zr3Nb(Si25O73)(OH)3(CO3)•H2O |
| 2.850(31.36) | 100 | 3.190(27.95) | 60 | 3.430(25.96) | 60 | Merrillite-(Y) | Ca16Y2Mg2(PO4)14 |
| 2.850(31.36) | 100 | 1.582(58.27) | 100 | 1.433(65.03) | 100 | Batisivite | (Ti,V,Cr)14Ba[Si2O7]O22 |
| 2.850(31.36) | 100 | 3.630(24.50) | 50 | 3.485(25.54) | 50 | Makovickyite | Ag1.5Bi5.5S9 |
| 2.850(31.36) | 100 | 2.970(30.06) | 90 | 2.090(43.25) | 90 | Aphthitalite | (K,Na)3Na(SO4)2 |
| 2.850(31.36) | 100 | 3.190(27.95) | 60 | 2.580(34.74) | 60 | Merrillite-(Ca) | (Ca,[ ])19Mg2(PO4)14 |
| 2.850(31.36) | 100 | 3.190(27.95) | 60 | 3.430(25.96) | 60 | Merrillite | Ca18Na2Mg2(PO4)14 |
| 2.850(31.36) | 100 | 2.190(41.19) | 90 | 1.510(61.34) | 90 | Barytolamprophyllite | Ba2Na3(Fe+++,Ti)3(Si2O7)2(O,OH,F)4 |
| 2.850(31.36) | 100 | 3.190(27.95) | 60 | 2.580(34.74) | 60 | Merrillite | Ca18Na2Mg2(PO4)14 |
| 2.850(31.36) | 100 | 3.120(28.59) | 30 | 2.470(36.34) | 30 | Magnussonite | Mn++5As+++3O9(OH,Cl) |
| 2.850(31.36) | 100 | 3.190(27.95) | 60 | 3.430(25.96) | 60 | Merrillite-(Ca) | (Ca,[ ])19Mg2(PO4)14 |
| 2.850(31.36) | 100 | 2.030(44.60) | 100 | 3.540(25.14) | 80 | Thorbastnasite | Th(Ca,Ce)(CO3)2F2•3(H2O) |
| 2.850(31.36) | 100 | 2.020(44.83) | 100 | 3.040(29.36) | 100 | Marianoite | Na2Ca4(Nb,Zr)2(Si2O7)2(O,F)4 |
| 2.850(31.36) | 100 | 1.750(52.23) | 100 | 2.430(36.96) | 70 | Gehlenite | Ca2Al(AlSi)O7 |
| 2.850(31.36) | 100 | 3.190(27.95) | 60 | 2.580(34.74) | 60 | Merrillite-(Y) | Ca16Y2Mg2(PO4)14 |
| 2.850(31.36) | 100 | 3.660(24.30) | 80 | 2.720(32.90) | 80 | Ecdemite | Pb6As+++2O7Cl4 |
| 2.850(31.36) | 100 | 3.485(25.54) | 50 | 3.630(24.50) | 50 | Makovickyite | Ag1.5Bi5.5S9 |
| 2.850(31.36) | 100 | 2.580(34.74) | 60 | 3.190(27.95) | 60 | Merrillite-(Ca) | (Ca,[ ])19Mg2(PO4)14 |
| 2.850(31.36) | 100 | 2.580(34.74) | 60 | 3.190(27.95) | 60 | Merrillite-(Y) | Ca16Y2Mg2(PO4)14 |
| 2.850(31.36) | 100 | 2.720(32.90) | 80 | 3.660(24.30) | 80 | Ecdemite | Pb6As+++2O7Cl4 |
| 2.850(31.36) | 100 | 2.840(31.47) | 80 | 3.090(28.87) | 50 | Balyakinite | CuTeO3 |
| 2.850(31.36) | 100 | 3.080(28.97) | 80 | 4.550(19.49) | 40 | Wittichenite | Cu3BiS3 |
| 2.850(31.36) | 100 | 3.130(28.49) | 86 | 2.560(35.02) | 46 | Hingganite-(Ce) | (Ce,Ca)2([ ],Fe)Be2Si2O8[(OH),O]2 |
| 2.850(31.36) | 100 | 2.580(34.74) | 60 | 3.190(27.95) | 60 | Merrillite | Ca18Na2Mg2(PO4)14 |
| 2.850(31.36) | 100 | 3.130(28.49) | 100 | 2.572(34.85) | 80 | Hingganite-(Yb) | (Yb,Y)2([ ])Be2Si2O8(OH)2 |
| 2.850(31.36) | 100 | 5.890(15.03) | 85 | 2.870(31.14) | 80 | Natrolite | Na2[Al2Si3O10]•2(H2O) |
| 2.850(31.36) | 100 | 3.150(28.31) | 70 | 2.780(32.17) | 60 | Fluorcalciobritholite | (Ca,REE)5[(Si,P)O4]3F |
| 2.850(31.36) | 100 | 3.850(23.08) | 80 | 5.970(14.83) | 60 | Wadeite | K2ZrSi3O9 |
| 2.850(31.36) | 100 | 2.470(36.34) | 30 | 3.120(28.59) | 30 | Magnussonite | Mn++5As+++3O9(OH,Cl) |
| 2.850(31.36) | 100 | 2.100(43.04) | 80 | 1.580(58.36) | 70 | Shuangfengite | IrTe2 |
| 2.850(31.36) | 100 | 2.090(43.25) | 90 | 2.970(30.06) | 90 | Aphthitalite | (K,Na)3Na(SO4)2 |
| 2.850(31.36) | 100 | 1.803(50.58) | 90 | 1.795(50.82) | 80 | Godlevskite | (Ni,Fe)9S8 |
| 2.850(31.36) | 100 | 1.674(54.79) | 80 | 1.820(50.08) | 60 | Violarite | Fe++Ni+++2S4 |
| 2.850(31.36) | 100 | 1.510(61.34) | 90 | 2.190(41.19) | 90 | Barytolamprophyllite | Ba2Na3(Fe+++,Ti)3(Si2O7)2(O,OH,F)4 |
| 2.851(31.35) | 100 | 3.427(25.98) | 80 | 3.539(25.14) | 80 | Benjaminite | (Ag,Cu)3(Bi,Pb)7S12 |
| 2.851(31.35) | 100 | 3.539(25.14) | 80 | 3.427(25.98) | 80 | Benjaminite | (Ag,Cu)3(Bi,Pb)7S12 |
| 2.852(31.34) | 100 | 1.717(53.31) | 40 | 2.548(35.19) | 30 | Villamaninite | (Cu,Ni,Co,Fe)S2 |
| 2.853(31.33) | 100 | 3.127(28.52) | 65 | 2.990(29.86) | 59 | Eveslogite | (Ca,K,Na,Sr,Ba)48[(Ti,Nb,Fe,Mn)12(OH)12Si48O144](F,OH,Cl)14 |
| 2.853(31.33) | 100 | 3.290(27.08) | 80 | 2.014(44.97) | 80 | Schapbachite | AgBiS2 |
| 2.853(31.33) | 100 | 2.775(32.23) | 85 | 3.432(25.94) | 45 | Aiolosite | Na4Bi(SO4)3Cl |
| 2.853(31.33) | 100 | 2.674(33.48) | 73 | 3.186(27.98) | 43 | Derbylite | (Fe+++,Fe++,Ti)7Sb+++O13(OH) |
| 2.853(31.33) | 100 | 2.014(44.97) | 80 | 3.290(27.08) | 80 | Schapbachite | AgBiS2 |
| 2.853(31.33) | 100 | 2.974(30.02) | 86 | 4.311(20.59) | 66 | Raslakite | Na15Ca3Fe3(Na,Zr)3Zr3(Si,Nb)(Si25O73)(OH,H2O)3(Cl,OH) |
| 2.854(31.32) | 100 | 2.916(30.63) | 86 | 2.646(33.85) | 86 | Mottanaite-(Ce) | Ca4(Ce,Ca)2AlBe2[Si4B4O22]O2 |
| 2.854(31.32) | 100 | 2.646(33.85) | 86 | 2.916(30.63) | 86 | Mottanaite-(Ce) | Ca4(Ce,Ca)2AlBe2[Si4B4O22]O2 |
| 2.854(31.32) | 100 | 2.977(29.99) | 81 | 4.310(20.59) | 69 | Feklichevite | Na11Ca9(Fe+++,Fe++)2Zr3Nb[Si25O73](OH,H2O,Cl,O)5 |
| 2.854(31.32) | 100 | 3.084(28.93) | 90 | 2.926(30.53) | 65 | Fukalite | Ca4Si2O6(CO3)(OH,F)2 |
| 2.855(31.30) | 100 | 4.576(19.38) | 55 | 9.160(9.65) | 55 | Hopeite | Zn3(PO4)2•4(H2O) |
| 2.855(31.30) | 100 | 9.160(9.65) | 55 | 4.576(19.38) | 55 | Hopeite | Zn3(PO4)2•4(H2O) |
| 2.855(31.30) | 100 | 2.475(36.27) | 50 | 1.493(62.12) | 32 | Lead | Pb |
| 2.856(31.29) | 100 | 3.020(29.55) | 100 | 10.110(8.74) | 85 | Iquiqueite | K3Na4Mg(Cr++++++O4)B24O39(OH)•12(H2O) |
| 2.856(31.29) | 100 | 3.327(26.77) | 16 | 3.416(26.06) | 10 | Teallite | PbSnS2 |
| 2.857(31.28) | 100 | 3.693(24.08) | 85 | 5.055(17.53) | 75 | Malachite | Cu2(CO3)(OH)2 |
| 2.857(31.28) | 100 | 4.625(19.17) | 100 | 2.944(30.34) | 100 | Thomsonite-Ca | NaCa2Al5Si5O20•6(H2O) |
| 2.857(31.28) | 100 | 2.944(30.34) | 100 | 4.625(19.17) | 100 | Thomsonite-Ca | NaCa2Al5Si5O20•6(H2O) |
| 2.858(31.27) | 100 | 1.762(51.85) | 27 | 3.079(28.98) | 24 | Melilite | (Ca,Na)2(Al,Mg,Fe++)(Si,Al)2O7 |
| 2.858(31.27) | 100 | 1.602(57.48) | 90 | 1.829(49.81) | 70 | Ferroskutterudite | (Fe,Co)As3 |
| 2.858(31.27) | 100 | 2.182(41.34) | 90 | 1.602(57.48) | 70 | Ferroskutterudite | (Fe,Co)As3 |
| 2.858(31.27) | 100 | 1.489(62.30) | 80 | 1.746(52.36) | 80 | Murataite | (Y,Na)6(Zn,Fe+++)5(Ti,Nb)12O29(O,F)14 |
| 2.858(31.27) | 100 | 1.746(52.36) | 80 | 1.489(62.30) | 80 | Murataite | (Y,Na)6(Zn,Fe+++)5(Ti,Nb)12O29(O,F)14 |
| 2.859(31.26) | 100 | 2.807(31.85) | 70 | 3.234(27.56) | 30 | Normandite | NaCa(Mn++,Fe++)(Ti,Nb,Zr)Si2O7(O,F)2 |
| 2.859(31.26) | 100 | 2.456(36.56) | 32 | 3.075(29.01) | 25 | Alumoakermanite | (Ca,Na)2(Al,Mg,Fe++)(Si2O7) |
| 2.860(31.25) | 100 | 18.740(4.71) | 100 | 8.970(9.85) | 90 | Strashimirite | Cu8(AsO4)4(OH)4•5(H2O) |
| 2.860(31.25) | 100 | 1.620(56.78) | 90 | 3.770(23.58) | 80 | Perite | PbBiO2Cl |
| 2.860(31.25) | 100 | 2.980(29.96) | 100 | 3.430(25.96) | 90 | Taseqite | Na12Sr3Ca6Fe3Zr3NbSi25O73(O,OH,H2O)3Cl2 |
| 2.860(31.25) | 100 | 2.960(30.17) | 90 | 3.060(29.16) | 90 | Latiumite | (Ca,K)8(Al,Mg,Fe)(Si,Al)10O25(SO4) |
| 2.860(31.25) | 100 | 3.020(29.55) | 30 | 1.044(95.09) | 20 | Butschliite | K2Ca(CO3)2 |
| 2.860(31.25) | 100 | 2.950(30.27) | 100 | 1.764(51.78) | 80 | Nordite-(La) | (Na,Mn)3(Sr,Ca)(La,Ce)(Zn,Mg)Si6O17 |
| 2.860(31.25) | 100 | 2.691(33.27) | 100 | 2.960(30.17) | 100 | Thomsonite-Sr | (Sr,Ca)2Na[Al5Si5O20]•7(H2O) |
| 2.860(31.25) | 100 | 2.910(30.70) | 100 | 2.610(34.33) | 80 | Vysotskite | (Pd,Ni)S |
| 2.860(31.25) | 100 | 2.930(30.48) | 100 | 2.140(42.19) | 90 | Tyretskite | Ca2B5O9(OH)•(H2O) |
| 2.860(31.25) | 100 | 2.750(32.53) | 60 | 3.490(25.50) | 50 | Fermorite | (Ca,Sr)5(AsO4,PO4)3(OH) |
| 2.860(31.25) | 100 | 2.640(33.93) | 30 | 2.930(30.48) | 30 | Braggite | (Pt,Pd,Ni)S |
| 2.860(31.25) | 100 | 2.340(38.44) | 90 | 4.020(22.09) | 70 | Parkerite | Ni3(Bi,Pb)2S2 |
| 2.860(31.25) | 100 | 2.010(45.07) | 60 | 1.810(50.37) | 30 | Rhodplumsite | Pb2Rh3S2 |
| 2.860(31.25) | 100 | 1.970(46.03) | 40 | 2.050(44.14) | 40 | Breithauptite | NiSb |
| 2.860(31.25) | 100 | 1.674(54.79) | 80 | 1.825(49.93) | 60 | Carrollite | Cu(Co,Ni)2S4 |
| 2.860(31.25) | 100 | 1.670(54.94) | 80 | 2.360(38.10) | 70 | Siegenite | (Ni,Co)3S4 |
| 2.860(31.25) | 100 | 2.050(44.14) | 40 | 1.970(46.03) | 40 | Breithauptite | NiSb |
| 2.860(31.25) | 100 | 1.559(59.22) | 90 | 3.260(27.33) | 80 | Turtmannite | (Mn,Mg)25.5[(V,As)O4]3(SiO4)3[AsO3]xO5-5x(OH)20+x |
| 2.860(31.25) | 100 | 2.020(44.83) | 80 | 0.933(111.30) | 80 | Kieftite | CoSb3 |
| 2.860(31.25) | 100 | 9.340(9.46) | 70 | 5.000(17.72) | 60 | Wilhelmvierlingite | CaMn++Fe+++(PO4)2(OH)•2(H2O) |
| 2.860(31.25) | 100 | 9.300(9.50) | 80 | 4.980(17.80) | 50 | Keckite | Ca(Mn,Zn)2Fe+++3(PO4)4(OH)3•2(H2O) |
| 2.860(31.25) | 100 | 5.790(15.29) | 70 | 4.350(20.40) | 50 | Mesolite | Na2Ca2Al6Si9O30•8(H2O) |
| 2.860(31.25) | 100 | 0.933(111.30) | 80 | 2.020(44.83) | 80 | Kieftite | CoSb3 |
| 2.860(31.25) | 100 | 3.500(25.43) | 90 | 2.715(32.96) | 70 | Graftonite | (Fe++,Mn,Ca)3(PO4)2 |
| 2.860(31.25) | 100 | 2.030(44.60) | 80 | 3.430(25.96) | 70 | Incaite | Pb4Sn4FeSb2S15 |
| 2.860(31.25) | 100 | 2.740(32.65) | 100 | 2.900(30.81) | 100 | Kentrolite | Pb2Mn+++2Si2O9 |
| 2.860(31.25) | 100 | 2.930(30.48) | 30 | 2.640(33.93) | 30 | Braggite | (Pt,Pd,Ni)S |
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