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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 |
| 0.777(164.92) | 100 | 0.788(155.65) | 100 | 3.000(29.76) | 100 | Bowieite | (Rh,Ir,Pt)1.77S3 |
| 0.777(164.92) | 100 | 3.000(29.76) | 100 | 0.788(155.65) | 100 | Bowieite | (Rh,Ir,Pt)1.77S3 |
| 0.779(162.84) | 100 | 2.180(41.38) | 100 | 0.824(138.39) | 90 | Sudburyite | (Pd,Ni)Sb |
| 0.787(156.34) | 100 | 0.862(126.66) | 80 | 0.885(121.00) | 70 | Rhodium | (Rh,Pt) |
| 0.788(155.65) | 100 | 0.777(164.92) | 100 | 3.000(29.76) | 100 | Bowieite | (Rh,Ir,Pt)1.77S3 |
| 0.867(125.36) | 100 | 2.122(42.57) | 100 | 0.802(147.66) | 70 | Skaergaardite | CuPd |
| 1.019(98.21) | 100 | 1.081(90.89) | 75 | 1.887(48.18) | 63 | Nowackiite | Cu6Zn3As4S12 |
| 1.019(98.21) | 100 | 1.757(52.00) | 100 | 1.910(47.57) | 80 | Kalininite | ZnCr2S4 |
| 1.057(93.56) | 100 | 3.527(25.23) | 100 | 1.483(62.58) | 100 | Ustarasite | Pb(Bi,Sb)6S10 |
| 1.057(93.56) | 100 | 1.483(62.58) | 100 | 3.527(25.23) | 100 | Ustarasite | Pb(Bi,Sb)6S10 |
| 1.066(92.54) | 100 | 9.630(9.18) | 100 | 2.050(44.14) | 100 | Freboldite | CoSe |
| 1.066(92.54) | 100 | 2.050(44.14) | 100 | 9.630(9.18) | 100 | Freboldite | CoSe |
| 1.089(90.04) | 100 | 1.846(49.32) | 100 | 2.371(37.92) | 90 | Ferdisilicite | FeSi2 |
| 1.120(86.90) | 100 | 5.440(16.28) | 100 | 2.720(32.90) | 100 | Arsenolamprite | As |
| 1.120(86.90) | 100 | 2.720(32.90) | 100 | 5.440(16.28) | 100 | Arsenolamprite | As |
| 1.142(84.83) | 100 | 1.094(89.51) | 80 | 2.180(41.38) | 80 | Chengdeite | Ir3Fe |
| 1.142(84.83) | 100 | 2.180(41.38) | 80 | 1.094(89.51) | 80 | Chengdeite | Ir3Fe |
| 1.156(83.57) | 100 | 2.000(45.30) | 90 | 1.003(100.34) | 70 | Gupeiite | Fe3Si |
| 1.160(83.22) | 100 | 2.020(44.83) | 100 | 1.430(65.18) | 80 | Chromferide | Fe3Cr1-x (x=0,6) |
| 1.163(82.95) | 100 | 2.228(40.45) | 90 | 1.932(46.99) | 70 | Isoferroplatinum | (Pt,Pd)3(Fe,Cu) |
| 1.195(80.27) | 100 | 2.240(40.23) | 100 | 0.797(150.24) | 90 | Tetra-auricupride | AuCu |
| 1.196(80.19) | 100 | 1.991(45.52) | 100 | 1.817(50.17) | 90 | Fersilicite | FeSi |
| 1.202(79.71) | 100 | 2.295(39.22) | 100 | 1.408(66.33) | 90 | Atokite | (Pd,Pt)3Sn |
| 1.202(79.71) | 100 | 2.295(39.22) | 100 | 1.408(66.33) | 90 | Rustenburgite | (Pt,Pd)3Sn |
| 1.220(78.30) | 100 | 2.130(42.40) | 100 | 1.350(69.58) | 60 | Osmium | (Os,Ir) |
| 1.299(72.74) | 100 | 2.163(41.72) | 100 | 1.529(60.50) | 80 | Khamrabaevite | (Ti,V,Fe)C |
| 1.306(72.29) | 100 | 16.000(5.52) | 100 | 4.620(19.20) | 100 | Perlialite | K8Tl4Al12Si24O72•20(H2O) |
| 1.306(72.29) | 100 | 4.620(19.20) | 100 | 16.000(5.52) | 100 | Perlialite | K8Tl4Al12Si24O72•20(H2O) |
| 1.331(70.72) | 100 | 3.070(29.06) | 100 | 1.884(48.27) | 80 | Maikainite | Cu20(Fe,Cu)6Mo2Ge6S32 |
| 1.335(70.48) | 100 | 3.516(25.31) | 90 | 2.243(40.17) | 90 | Baotite | Ba4(Ti,Nb)8Si4O28Cl |
| 1.335(70.48) | 100 | 2.243(40.17) | 90 | 3.516(25.31) | 90 | Baotite | Ba4(Ti,Nb)8Si4O28Cl |
| 1.375(68.14) | 100 | 3.550(25.06) | 100 | 3.230(27.59) | 100 | Julienite | Na2Co++(SCN)4•8(H2O) |
| 1.375(68.14) | 100 | 3.230(27.59) | 100 | 3.550(25.06) | 100 | Julienite | Na2Co++(SCN)4•8(H2O) |
| 1.379(67.92) | 50 | 1.633(56.29) | 50 | 1.717(53.31) | 50 | Oxyvanite | V3O5 |
| 1.379(67.92) | 50 | 1.717(53.31) | 50 | 2.440(36.80) | 50 | Oxyvanite | V3O5 |
| 1.379(67.92) | 50 | 1.717(53.31) | 50 | 1.633(56.29) | 50 | Oxyvanite | V3O5 |
| 1.386(67.53) | 100 | 2.750(32.53) | 100 | 2.880(31.03) | 70 | Olkhonskite | (Cr+++,V+++)2Ti3O9 |
| 1.388(67.42) | 100 | 4.270(20.79) | 100 | 2.190(41.19) | 90 | Jeremejevite | Al6B5O15(F,OH)3 |
| 1.390(67.31) | 100 | 10.800(8.18) | 100 | 2.410(37.28) | 100 | Glucine | CaBe4(PO4)2(OH)4•0.5(H2O) |
| 1.390(67.31) | 100 | 2.410(37.28) | 100 | 10.800(8.18) | 100 | Glucine | CaBe4(PO4)2(OH)4•0.5(H2O) |
| 1.391(67.25) | 100 | 2.390(37.60) | 87 | 2.678(33.43) | 71 | Zincostaurolite | [ ]4Zn4Al16(Al,[ ])2Si8O40[O6,(OH)2] |
| 1.400(66.76) | 100 | 1.490(62.26) | 100 | 2.490(36.04) | 50 | Leadamalgam | HgPb2 |
| 1.430(65.18) | 100 | 1.620(56.78) | 100 | 2.990(29.86) | 100 | Augite | (Ca,Na)(Mg,Fe,Al,Ti)(Si,Al)2O6 |
| 1.430(65.18) | 100 | 2.990(29.86) | 100 | 1.620(56.78) | 100 | Augite | (Ca,Na)(Mg,Fe,Al,Ti)(Si,Al)2O6 |
| 1.433(65.03) | 100 | 1.582(58.27) | 100 | 2.850(31.36) | 100 | Batisivite | (Ti,V,Cr)14Ba[Si2O7]O22 |
| 1.433(65.03) | 100 | 2.850(31.36) | 100 | 1.582(58.27) | 100 | Batisivite | (Ti,V,Cr)14Ba[Si2O7]O22 |
| 1.440(64.68) | 90 | 2.840(31.47) | 90 | 1.690(54.23) | 85 | Romanite | (Fe++,U,Pb)2(Ti,Fe+++)O4 |
| 1.440(64.68) | 100 | 2.140(42.19) | 100 | 2.250(40.04) | 90 | Mathiasite | (K,Ca,Sr)(Ti,Cr,Fe,Mg)21O38 |
| 1.450(64.18) | 100 | 2.480(36.19) | 100 | 2.043(44.30) | 90 | Bityite | CaLiAl2(AlBeSi2)O10(OH)2 |
| 1.483(62.58) | 100 | 1.057(93.56) | 100 | 3.527(25.23) | 100 | Ustarasite | Pb(Bi,Sb)6S10 |
| 1.485(62.49) | 100 | 3.170(28.13) | 100 | 9.770(9.04) | 100 | Brammallite | (Na,H3O)(Al,Mg,Fe)2(Si,Al)4O10[(OH)2,(H2O)] |
| 1.485(62.49) | 100 | 9.770(9.04) | 100 | 3.170(28.13) | 100 | Brammallite | (Na,H3O)(Al,Mg,Fe)2(Si,Al)4O10[(OH)2,(H2O)] |
| 1.486(62.44) | 100 | 2.150(41.99) | 100 | 2.050(44.14) | 100 | Niggliite | PtSn |
| 1.486(62.44) | 100 | 2.050(44.14) | 100 | 2.150(41.99) | 100 | Niggliite | PtSn |
| 1.487(62.40) | 100 | 1.593(57.83) | 100 | 2.900(30.81) | 90 | Shuiskite | Ca2(Mg,Al)(Cr,Al)2(SiO4)(Si2O7)(OH)2•(H2O) |
| 1.490(62.26) | 100 | 1.400(66.76) | 100 | 2.490(36.04) | 50 | Leadamalgam | HgPb2 |
| 1.494(62.07) | 100 | 2.920(30.59) | 80 | 8.300(10.65) | 60 | Chrysocolla | (Cu,Al)2H2Si2O5(OH)4•n(H2O) |
| 1.495(62.03) | 100 | 1.204(79.55) | 90 | 2.830(31.59) | 70 | Luanheite | Ag3Hg |
| 1.503(61.66) | 100 | 2.572(34.85) | 100 | 2.457(36.54) | 70 | Preiswerkite | NaMg2Al3Si2O10(OH)2 |
| 1.506(61.52) | 100 | 2.485(36.12) | 100 | 1.483(62.58) | 90 | Manganoneptunite | KNa2Li(Mn,Fe++)2Ti2Si8O24 |
| 1.508(61.43) | 100 | 3.020(29.55) | 100 | 1.793(50.88) | 70 | Calciotantite | Ca(Ta,Nb)4O11 |
| 1.511(61.30) | 100 | 2.600(34.47) | 90 | 5.200(17.04) | 85 | Takeuchiite | Mg2Mn+++O2(BO3) |
| 1.516(61.07) | 100 | 2.163(41.72) | 100 | 3.190(27.95) | 100 | Babefphite | BaBe(PO4)(F,O) |
| 1.516(61.07) | 100 | 3.190(27.95) | 100 | 2.163(41.72) | 100 | Babefphite | BaBe(PO4)(F,O) |
| 1.519(60.94) | 100 | 2.600(34.47) | 100 | 4.520(19.62) | 80 | Chromphyllite | (K,Ba)(Cr,Al)2[AlSi3O10](OH,F)2 |
| 1.520(60.90) | 100 | 15.400(5.73) | 100 | 4.560(19.45) | 100 | Nontronite | Na0.3Fe+++2(Si,Al)4O10(OH)2•n(H2O) |
| 1.520(60.90) | 100 | 4.560(19.45) | 100 | 15.400(5.73) | 100 | Nontronite | Na0.3Fe+++2(Si,Al)4O10(OH)2•n(H2O) |
| 1.522(60.81) | 100 | 2.410(37.28) | 100 | 3.360(26.51) | 90 | Shirokshinite | K(NaMg2)Si4O10F2 |
| 1.530(60.46) | 2.610(34.33) | 3.910(22.72) | Kurumsakite | (Zn,Ni,Cu)8Al8V2Si5O35•27(H2O) (?) | |||
| 1.530(60.46) | 100 | 4.580(19.36) | 100 | 15.800(5.59) | 80 | Hectorite | Na0,3(Mg,Li)3Si4O10(OH)2 |
| 1.539(60.07) | 100 | 2.940(30.38) | 100 | 1.804(50.55) | 100 | Tazheranite | CaTiZr2O8 |
| 1.539(60.07) | 100 | 1.804(50.55) | 100 | 2.940(30.38) | 100 | Tazheranite | CaTiZr2O8 |
| 1.540(60.02) | 100 | 2.660(33.67) | 60 | 2.350(38.27) | 60 | Mcgovernite | Mn9Mg4Zn2As2Si2O17(OH)14 |
| 1.540(60.02) | 100 | 2.580(34.74) | 100 | 2.880(31.03) | 60 | Pyrope | Mg3Al2(SiO4)3 |
| 1.540(60.02) | 100 | 2.350(38.27) | 60 | 2.660(33.67) | 60 | Mcgovernite | Mn9Mg4Zn2As2Si2O17(OH)14 |
| 1.540(60.02) | 100 | 15.400(5.73) | 100 | 2.670(33.54) | 100 | Sauconite | Na0,3Zn3(Si,Al)4O10(OH)2•4(H2O) |
| 1.540(60.02) | 100 | 4.360(20.35) | 100 | 3.590(24.78) | 100 | Neotocite | (Mn,Fe++)SiO3•(H2O) (?) |
| 1.540(60.02) | 100 | 2.580(34.74) | 100 | 2.880(31.03) | 60 | Majorite | Mg3(Fe,Al,Si)2(SiO4)3 |
| 1.540(60.02) | 100 | 3.590(24.78) | 100 | 4.360(20.35) | 100 | Neotocite | (Mn,Fe++)SiO3•(H2O) (?) |
| 1.540(60.02) | 100 | 2.670(33.54) | 100 | 15.400(5.73) | 100 | Sauconite | Na0,3Zn3(Si,Al)4O10(OH)2•4(H2O) |
| 1.544(59.85) | 100 | 2.992(29.84) | 100 | 2.597(34.51) | 60 | Glagolevite | NaMg6[Si3AlO10](OH,O)8•H2O |
| 1.544(59.85) | 100 | 2.556(35.08) | 100 | 2.992(29.84) | 60 | Glagolevite | NaMg6[Si3AlO10](OH,O)8•H2O |
| 1.548(59.68) | 100 | 1.813(50.28) | 100 | 2.940(30.38) | 100 | Lewisite | (Ca,Fe++,Na)2(Sb,Ti)2O7 |
| 1.548(59.68) | 100 | 2.940(30.38) | 100 | 1.813(50.28) | 100 | Lewisite | (Ca,Fe++,Na)2(Sb,Ti)2O7 |
| 1.550(59.60) | 100 | 2.522(35.57) | 100 | 1.805(50.52) | 92 | Sabelliite | Cu2Zn(As,Sb)O4(OH)3 |
| 1.552(59.51) | 100 | 1.818(50.14) | 100 | 2.950(30.27) | 100 | Uranmicrolite | (U,Ca)2(Ta,Nb)2O6(OH) |
| 1.552(59.51) | 100 | 2.950(30.27) | 100 | 1.818(50.14) | 100 | Uranmicrolite | (U,Ca)2(Ta,Nb)2O6(OH) |
| 1.574(58.60) | 100 | 2.620(34.20) | 100 | 2.920(30.59) | 90 | Calderite | (Mn++,Ca)3(Fe+++,Al)2(SiO4)3 |
| 1.582(58.27) | 100 | 1.433(65.03) | 100 | 2.850(31.36) | 100 | Batisivite | (Ti,V,Cr)14Ba[Si2O7]O22 |
| 1.587(58.07) | 100 | 3.040(29.36) | 100 | 1.840(49.50) | 100 | Cesstibtantite | (Cs,Na)SbTa4O12 |
| 1.587(58.07) | 100 | 1.840(49.50) | 100 | 3.040(29.36) | 100 | Cesstibtantite | (Cs,Na)SbTa4O12 |
| 1.590(57.95) | 100 | 2.130(42.40) | 100 | 1.800(50.67) | 100 | Lindsleyite | (Ba,Sr)(Ti,Cr,Fe,Mg)21O38 |
| 1.590(57.95) | 100 | 1.800(50.67) | 100 | 2.130(42.40) | 100 | Lindsleyite | (Ba,Sr)(Ti,Cr,Fe,Mg)21O38 |
| 1.593(57.83) | 100 | 1.487(62.40) | 100 | 2.900(30.81) | 90 | Shuiskite | Ca2(Mg,Al)(Cr,Al)2(SiO4)(Si2O7)(OH)2•(H2O) |
| 1.606(57.32) | 2.901(30.80) | 3.414(26.08) | Dessauite | (Sr,Pb)(Y,U)(Ti,Fe+++)20O38 | |||
| 1.609(57.21) | 100 | 3.159(28.23) | 100 | 2.633(34.02) | 80 | Cobaltaustinite | CaCo(AsO4)(OH) |
| 1.610(57.17) | 100 | 2.520(35.60) | 100 | 2.950(30.27) | 100 | Maghemite | gamma-Fe+++2O3 |
| 1.610(57.17) | 100 | 2.950(30.27) | 100 | 2.520(35.60) | 100 | Maghemite | gamma-Fe+++2O3 |
| 1.618(56.86) | 100 | 1.873(48.57) | 100 | 2.645(33.86) | 100 | Zavaritskite | BiOF |
| 1.618(56.86) | 100 | 2.645(33.86) | 100 | 1.873(48.57) | 100 | Zavaritskite | BiOF |
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