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X-Ray Diffraction Table |
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X-Ray Diffraction Table |
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 |
| 7.128(12.41) | 200 | 5.308(16.69) | 150 | 5.922(14.95) | 140 | Danburite | CaB2(SiO4)2 |
| 7.138(12.39) | 200 | 6.236(14.19) | 160 | 7.060(12.53) | 120 | Bismuthinite | Bi2S3 |
| 7.138(12.39) | 200 | 5.010(17.69) | 160 | 6.016(14.71) | 160 | Boromuscovite | KAl2(Si3B)O10(OH,F)2 |
| 7.140(12.39) | 200 | 17.300(5.10) | 200 | 6.620(13.36) | 180 | Metauranopilite | (UO2)6(SO4)(OH)10·5(H2O) |
| 7.140(12.39) | 200 | 17.300(5.10) | 200 | 6.620(13.36) | 180 | Metauranospinite | Ca(UO2)2(AsO4)2·8(H2O) |
| 7.140(12.39) | 200 | 10.060(8.78) | 160 | 17.780(4.97) | 160 | Heinrichite | Ba(UO2)2(AsO4)2·10-12(H2O) |
| 7.140(12.39) | 200 | 6.478(13.66) | 154 | 5.844(15.15) | 134 | Roedderite | (Na,K)2(Mg,Fe++)5Si12O30 |
| 7.146(12.38) | 200 | 4.270(20.79) | 180 | 5.616(15.77) | 160 | Chabourneite | (Tl,Pb)21(Sb,As)91S147 |
| 7.148(12.37) | 200 | 5.812(15.23) | 90 | 7.234(12.22) | 80 | Matlockite | PbFCl |
| 7.160(12.35) | 200 | 15.260(5.79) | 180 | 6.380(13.87) | 180 | Chapmanite | Sb+++Fe+++2(SiO4)2(OH) |
| 7.160(12.35) | 200 | 6.960(12.71) | 160 | 14.400(6.13) | 160 | Magnesiozippeite | Mg(H2O)3.5(UO2)2(SO4)O2 |
| 7.160(12.35) | 200 | 7.180(12.32) | 120 | 5.764(15.36) | 110 | Lorandite | TlAsS2 |
| 7.160(12.35) | 200 | 5.182(17.10) | 180 | 3.408(26.13) | 160 | Krivovichevite | Pb3[Al(OH)6](SO4)(OH) |
| 7.160(12.35) | 200 | 14.300(6.18) | 200 | 4.660(19.03) | 180 | Dickite | Al2Si2O5(OH)4 |
| 7.162(12.35) | 200 | 4.382(20.25) | 112 | 3.740(23.77) | 94 | Frankdicksonite | BaF2 |
| 7.162(12.35) | 200 | 7.780(11.36) | 146 | 5.556(15.94) | 112 | Cotunnite | PbCl2 |
| 7.174(12.33) | 200 | 6.278(14.10) | 50 | 14.420(6.12) | 40 | Clinoclase | Cu3(AsO4)(OH)3 |
| 7.180(12.32) | 200 | 17.100(5.16) | 180 | 8.580(10.30) | 120 | Metakahlerite | Fe++(UO2)2(AsO4)2·8(H2O) |
| 7.180(12.32) | 200 | 17.320(5.10) | 140 | 5.960(14.85) | 120 | Metalodevite | Zn(UO2)2(AsO4)2·10(H2O) |
| 7.180(12.32) | 200 | 20.600(4.29) | 200 | 10.400(8.50) | 140 | Zeunerite | Cu(UO2)2(AsO4)2·10-16(H2O) |
| 7.180(12.32) | 200 | 5.400(16.40) | 180 | 6.980(12.67) | 180 | Pierrotite | Tl2Sb6As4S16 |
| 7.186(12.31) | 200 | 6.996(12.64) | 100 | 4.974(17.82) | 64 | Cerussite | PbCO3 |
| 7.186(12.31) | 200 | 6.632(13.34) | 180 | 6.048(14.63) | 160 | Althausite | Mg2(PO4)(OH,F,O) |
| 7.198(12.29) | 200 | 11.608(7.61) | 148 | 5.627(15.74) | 132 | Uzonite | As4S5 |
| 7.200(12.28) | 200 | 16.680(5.29) | 180 | 8.460(10.45) | 80 | Metauranocircite | Ba(UO2)2(PO4)2·6-8(H2O) |
| 7.200(12.28) | 200 | 6.820(12.97) | 180 | 11.100(7.96) | 140 | Chenite | Pb4Cu(SO4)2(OH)6 |
| 7.200(12.28) | 200 | 6.360(13.91) | 160 | 10.380(8.51) | 140 | Tisinalite | Na3H3(Mn++,Ca,Fe)TiSi6(O,OH)18·2(H2O) |
| 7.200(12.28) | 200 | 3.680(24.16) | 180 | 6.260(14.14) | 160 | Orlymanite | Ca4Mn++3Si8O20(OH)6·2(H2O) |
| 7.214(12.26) | 200 | 5.598(15.82) | 170 | 5.554(15.94) | 80 | Kamaishilite | Ca2Al2SiO6(OH)2 |
| 7.220(12.25) | 200 | 14.500(6.09) | 200 | 6.340(13.96) | 160 | Metavandendriesscheite | PbU7O22·n(H2O)(n<12) |
| 7.220(12.25) | 200 | 14.500(6.09) | 200 | 6.340(13.96) | 150 | Vandendriesscheite | Pb(UO2)10O6(OH)11·11(H2O) |
| 7.220(12.25) | 200 | 18.160(4.86) | 180 | 3.238(27.52) | 120 | Przhevalskite | Pb(UO2)2(PO4)2·4(H2O) |
| 7.238(12.22) | 200 | 5.270(16.81) | 160 | 6.874(12.87) | 120 | Fleischerite | Pb3Ge(SO4)2(OH)6·3(H2O) |
| 7.240(12.21) | 200 | 5.140(17.24) | 140 | 3.498(25.44) | 120 | Corderoite | Hg3S2Cl2 |
| 7.240(12.21) | 200 | 5.360(16.53) | 110 | 3.700(24.03) | 90 | Chromatite | CaCrO4 |
| 7.240(12.21) | 200 | 5.572(15.89) | 180 | 7.020(12.60) | 180 | Pekovite | SrB2Si2O8 |
| 7.240(12.21) | 200 | 4.042(21.97) | 140 | 6.780(13.05) | 120 | Maleevite | BaB2Si2O8 |
| 7.240(12.21) | 200 | 6.300(14.05) | 100 | 6.640(13.32) | 100 | Giessenite | Pb13(Cu,Ag)(Bi,Sb)9S28 (?) |
| 7.242(12.21) | 200 | 8.872(9.96) | 140 | 6.138(14.42) | 100 | Waterhouseite | Mn7(PO4)2(OH)8 |
| 7.246(12.20) | 200 | 15.766(5.60) | 194 | 5.876(15.07) | 114 | Plumbophyllite | Pb2Si4O10·H2O |
| 7.246(12.20) | 200 | 12.886(6.85) | 100 | 5.230(16.94) | 80 | Dolerophanite | Cu2(SO4)O |
| 7.254(12.19) | 200 | 3.822(23.25) | 180 | 6.200(14.27) | 160 | Freudenbergite | Na2Fe+++2Ti6O16 |
| 7.260(12.18) | 200 | 5.672(15.61) | 185 | 6.272(14.11) | 185 | Paarite | Cu1.7Pb1.7Bi6.3S12 |
| 7.260(12.18) | 200 | 4.200(21.14) | 160 | 12.600(7.01) | 160 | Sodalite | Na8Al6Si6O24Cl2 |
| 7.260(12.18) | 200 | 21.840(4.04) | 200 | 10.920(8.09) | 160 | Priceite | Ca2B5O7(OH)5·H2O |
| 7.262(12.18) | 200 | 5.672(15.61) | 187 | 6.272(14.11) | 186 | Salzburgite | Cu1.6Pb1.6Bi6.4S12 |
| 7.284(12.14) | 200 | 13.920(6.34) | 80 | 8.978(9.84) | 60 | Veszelyite | (Cu,Zn)2ZnPO4(OH)3·2(H2O) |
| 7.300(12.11) | 200 | 11.860(7.45) | 200 | 5.936(14.91) | 160 | Whewellite | Ca(C2O4)·(H2O) |
| 7.300(12.11) | 200 | 6.240(14.18) | 160 | 29.400(3.00) | 140 | Plumbotsumite | Pb5Si4O8(OH)10 |
| 7.310(12.10) | 200 | 6.962(12.70) | 160 | 5.350(16.56) | 124 | Mallestigite | Pb3Sb+++++(SO4)(AsO4)(OH)6·3(H2O) |
| 7.312(12.09) | 200 | 5.478(16.17) | 120 | 9.700(9.11) | 80 | Dreyerite | BiVO4 |
| 7.312(12.09) | 200 | 5.704(15.52) | 190 | 7.134(12.40) | 162 | Emilite | Cu2.68Pb2.68Bi5.32S12 |
| 7.320(12.08) | 200 | 5.280(16.78) | 80 | 3.660(24.30) | 70 | Salesite | Cu(IO3)(OH) |
| 7.320(12.08) | 200 | 8.920(9.91) | 164 | 12.660(6.98) | 120 | Tsaregorodtsevite | N(CH3)4AlSi5O12 |
| 7.320(12.08) | 200 | 8.220(10.75) | 180 | 16.520(5.35) | 140 | Prewittite | KPb1.5ZnCu6O2(SeO3)2Cl10 |
| 7.320(12.08) | 200 | 7.800(11.33) | 200 | 4.500(19.71) | 180 | Ice | H2O |
| 7.320(12.08) | 200 | 6.160(14.37) | 162 | 16.640(5.31) | 142 | Protoanthophyllite | (Mg,Fe)7Si8O22(OH)2 |
| 7.340(12.05) | 200 | 5.480(16.16) | 102 | 9.680(9.13) | 54 | Wakefieldite-(Nd) | NdVO4 |
| 7.340(12.05) | 200 | 5.260(16.84) | 180 | 5.720(15.48) | 170 | Kalicinite | KHCO3 |
| 7.340(12.05) | 200 | 5.776(15.33) | 134 | 12.292(7.19) | 86 | Aheylite | (Fe++,Zn)Al6(PO4)4(OH)8·4(H2O) |
| 7.340(12.05) | 200 | 6.034(14.67) | 144 | 6.044(14.64) | 144 | Angelaite | Cu2AgPbBiS4 |
| 7.340(12.05) | 200 | 5.560(15.93) | 180 | 6.060(14.61) | 180 | Hurlbutite | CaBe2(PO4)2 |
| 7.340(12.05) | 200 | 3.132(28.47) | 160 | 5.350(16.56) | 160 | Sodium meta-autunite | Na2(UO2)2(PO4)2·6-8(H2O) |
| 7.340(12.05) | 200 | 3.132(28.47) | 160 | 5.350(16.56) | 160 | Sodium-autunite | Na2(UO2)2(PO4)2·8(H2O) |
| 7.352(12.03) | 200 | 8.652(10.22) | 200 | 4.148(21.40) | 120 | Gysinite-(Nd) | Pb(Nd,La)(CO3)2(OH)·(H2O) |
| 7.356(12.02) | 200 | 5.532(16.01) | 180 | 3.782(23.50) | 140 | Wakefieldite-(Ce) | (Ce+++,Pb++,Pb++++)VO4 |
| 7.360(12.01) | 200 | 17.420(5.07) | 200 | 6.960(12.71) | 160 | Metatorbernite | Cu(UO2)2(PO4)2·8(H2O) |
| 7.360(12.01) | 200 | 16.100(5.48) | 180 | 13.360(6.61) | 140 | Metasideronatrite | Na2Fe+++(SO4)2(OH)·(H2O) |
| 7.360(12.01) | 200 | 5.780(15.32) | 160 | 13.400(6.59) | 140 | Faustite | (Zn,Cu)Al6(PO4)4(OH)8·4(H2O) |
| 7.360(12.01) | 200 | 5.820(15.21) | 160 | 12.340(7.16) | 140 | Turquoise | CuAl6(PO4)4(OH)8·4(H2O) |
| 7.360(12.01) | 200 | 5.260(16.84) | 160 | 8.740(10.11) | 120 | Berthierite | FeSb2S4 |
| 7.364(12.01) | 200 | 6.198(14.28) | 180 | 10.700(8.26) | 180 | Schmitterite | (UO2)TeO3 |
| 7.370(12.00) | 200 | 6.340(13.96) | 190 | 2.852(31.34) | 160 | Phosphoellenbergerite | Mg14(PO4)6(PO3OH,CO3)2(OH)6 |
| 7.372(12.00) | 200 | 7.218(12.25) | 98 | 5.338(16.59) | 84 | Challacolloite | KPb2Cl5 |
| 7.376(11.99) | 200 | 6.596(13.41) | 200 | 9.640(9.17) | 160 | Afghanite | (Na,Ca,K)8(Si,Al)12O24(SO4,Cl,CO3)3·(H2O) |
| 7.380(11.98) | 200 | 5.842(15.15) | 180 | 16.600(5.32) | 180 | Godovikovite | (NH4)(Al,Fe+++)(SO4)2 |
| 7.382(11.98) | 200 | 5.278(16.78) | 146 | 7.174(12.33) | 140 | IMA2008-006 | [Na82.5Ca33K16.5](Si99Al99O396)(SO4)33·4H2O |
| 7.392(11.96) | 200 | 7.942(11.13) | 166 | 4.218(21.04) | 90 | Hephaistosite | TlPb2Cl5 |
| 7.396(11.96) | 200 | 5.676(15.60) | 198 | 5.988(14.78) | 192 | Paradamite | Zn2(AsO4)(OH) |
| 7.400(11.95) | 200 | 10.160(8.70) | 160 | 12.080(7.31) | 160 | Kolwezite | (Cu,Co)2(CO3)(OH)2 |
| 7.400(11.95) | 200 | 8.420(10.50) | 160 | 8.180(10.81) | 120 | Cyanochroite | K2Cu(SO4)2·6(H2O) |
| 7.412(11.93) | 200 | 8.128(10.88) | 190 | 8.312(10.63) | 170 | Picromerite | K2Mg(SO4)2·6(H2O) |
| 7.414(11.93) | 200 | 5.246(16.89) | 140 | 4.176(21.26) | 100 | Wakefieldite-(La) | LaVO4 |
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