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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.
|
Selected X-Ray λ |
Change X-Ray λ |
D1 Å |
D2 Å |
D3 Å |
Tolerance % |
Elements |
|---|
| D1 Å (2θ) |
I1 %) |
D2 Å (2θ) |
I2 (%) |
D3 Å (2θ) |
I3 (%) |
Mineral | Formula |
| 6.578(13.45) | 200 | 9.100(9.71) | 116 | 6.524(13.56) | 70 | Changoite | Na2Zn(SO4)2·4(H2O) |
| 6.578(13.45) | 200 | 6.852(12.91) | 200 | 8.074(10.95) | 180 | Eztlite | Pb2Fe+++6(Te++++O3)3(Te++++++O6)(OH)10·8(H2O) |
| 6.580(13.45) | 200 | 6.000(14.75) | 160 | 3.806(23.35) | 100 | Kuksite | Pb3Zn3Te++++++O6(PO4)2 |
| 6.580(13.45) | 200 | 5.024(17.64) | 140 | 8.860(9.98) | 120 | Hafnon | HfSiO4 |
| 6.580(13.45) | 200 | 3.402(26.17) | 160 | 6.760(13.09) | 120 | Umbozerite | Na3Sr4ThSi8(O,OH)24 |
| 6.580(13.45) | 200 | 3.406(26.14) | 160 | 4.824(18.38) | 160 | Tugarinovite | MoO2 |
| 6.580(13.45) | 200 | 6.000(14.75) | 180 | 7.560(11.70) | 180 | Cuprorivaite | CaCuSi4O10 |
| 6.580(13.45) | 200 | 7.380(11.98) | 200 | 9.620(9.19) | 200 | Microsommite | (Na,Ca,K)7-8(Si,Al)12O24(Cl,SO4)2-3 |
| 6.580(13.45) | 200 | 7.740(11.42) | 200 | 9.620(9.19) | 180 | Halurgite | Mg2[B4O5(OH)4]2·(H2O) |
| 6.580(13.45) | 200 | 3.850(23.08) | 180 | 7.680(11.51) | 80 | Shadlunite | (Pb,Cd)(Fe,Cu)8S8 |
| 6.580(13.45) | 200 | 19.600(4.50) | 160 | 3.960(22.43) | 110 | Zinnwaldite | KLiFe++Al(AlSi3)O10(F,OH)2 |
| 6.582(13.44) | 200 | 5.228(16.95) | 160 | 6.078(14.56) | 150 | Maxwellite | NaFe+++(AsO4)F |
| 6.584(13.44) | 200 | 6.482(13.65) | 192 | 8.450(10.46) | 116 | Microcline | KAlSi3O8 |
| 6.586(13.43) | 200 | 9.452(9.35) | 114 | 5.788(15.30) | 102 | Vauquelinite | Pb2Cu(CrO4)(PO4)(OH) |
| 6.586(13.43) | 200 | 3.385(26.31) | 90 | 4.927(17.99) | 84 | Pretulite | ScPO4 |
| 6.590(13.42) | 200 | 5.850(15.13) | 150 | 8.860(9.98) | 110 | Nitromagnesite | Mg(NO3)2·6(H2O) |
| 6.592(13.42) | 200 | 5.618(15.76) | 160 | 5.890(15.03) | 80 | Diaphorite | Pb2Ag3Sb3S8 |
| 6.600(13.40) | 200 | 6.546(13.52) | 194 | 3.524(25.25) | 82 | Kassite | CaTi2O4(OH)2 |
| 6.600(13.40) | 200 | 5.522(16.04) | 160 | 5.810(15.24) | 160 | Paulmooreite | Pb2As+++2O5 |
| 6.600(13.40) | 200 | 5.036(17.60) | 90 | 8.860(9.98) | 90 | Zircon | ZrSiO4 |
| 6.600(13.40) | 200 | 5.800(15.26) | 160 | 6.900(12.82) | 80 | Andorite | PbAgSb3S6 |
| 6.600(13.40) | 200 | 4.500(19.71) | 40 | 2.800(31.94) | 20 | Allophane | Al2O3·(SiO2)1.3-2·((H2O))2.5-3 |
| 6.600(13.40) | 200 | 8.020(11.02) | 180 | 5.040(17.58) | 140 | Laurionite | PbCl(OH) |
| 6.600(13.40) | 200 | 5.440(16.28) | 120 | 7.560(11.70) | 120 | Kelyanite | (Hg+2)6(SbO6)BrCl2 |
| 6.600(13.40) | 200 | 5.840(15.16) | 140 | 9.300(9.50) | 100 | Carnallite | KMgCl3·6(H2O) |
| 6.600(13.40) | 200 | 6.740(13.12) | 200 | 10.180(8.68) | 200 | Jungite | Ca2Zn4Fe+++8(PO4)9(OH)9·16(H2O) |
| 6.600(13.40) | 200 | 6.500(13.61) | 160 | 4.662(19.02) | 112 | Tinaksite | K2Na(Ca,Mn++)2(Ti,Fe)O[Si7O18(OH)] |
| 6.600(13.40) | 200 | 6.000(14.75) | 180 | 3.214(27.73) | 120 | Cheremnykhite | Zn3Pb3Te++++O6(VO4)2 |
| 6.600(13.40) | 200 | 6.100(14.51) | 180 | 5.020(17.65) | 100 | Chiluite | Bi6Te++++++2Mo++++++2O21 |
| 6.600(13.40) | 200 | 5.800(15.26) | 160 | 7.600(11.63) | 60 | Uchucchacuaite | AgPb3MnSb5S12 |
| 6.604(13.40) | 200 | 6.220(14.23) | 138 | 6.326(13.99) | 138 | Hemihedrite | Pb10Zn(CrO4)6(SiO4)2F2 |
| 6.608(13.39) | 200 | 5.169(17.14) | 98 | 3.463(25.70) | 72 | Squawcreekite | (Fe+++,Sb+++++,W++++++)O4·(H2O) |
| 6.610(13.38) | 200 | 5.728(15.46) | 168 | 6.656(13.29) | 164 | Wallisite | PbTl(Cu,Ag)As2S5 |
| 6.614(13.38) | 200 | 5.760(15.37) | 180 | 8.320(10.62) | 130 | Milarite | K2Ca4Al2Be4Si24O60·(H2O) |
| 6.614(13.38) | 200 | 6.054(14.62) | 190 | 7.901(11.19) | 190 | Tinticite | Fe+++5(PO4,VO4)4·7(H2O) |
| 6.620(13.36) | 200 | 6.260(14.14) | 172 | 5.860(15.11) | 168 | Wurtzite | (Zn,Fe)S |
| 6.620(13.36) | 200 | 5.600(15.81) | 124 | 5.420(16.34) | 80 | Tokyoite | Ba2Mn(VO4)2(OH) |
| 6.620(13.36) | 200 | 7.420(11.92) | 200 | 9.700(9.11) | 140 | Quadridavyne | (Na,K)6Ca2Al6Si6O24Cl4 |
| 6.626(13.35) | 200 | 6.722(13.16) | 130 | 7.600(11.63) | 106 | Tazieffite | Pb20Cd2(As,Bi)22S50Cl10 |
| 6.628(13.35) | 200 | 7.660(11.54) | 170 | 7.040(12.56) | 160 | Wollastonite-1A | CaSiO3 |
| 6.628(13.35) | 200 | 6.412(13.80) | 120 | 3.312(26.90) | 80 | Lipscombite | (Fe++,Mn)Fe+++2(PO4)2(OH)2 |
| 6.628(13.35) | 200 | 5.726(15.46) | 180 | 6.802(13.00) | 160 | Hatchite | (Pb,Tl)2AgAs2S5 |
| 6.628(13.35) | 200 | 7.660(11.54) | 170 | 7.040(12.56) | 160 | Wollastonite-3A-4A-5A-7A | CaSiO3 |
| 6.636(13.33) | 200 | 6.682(13.24) | 200 | 3.616(24.60) | 140 | Argentopyrite | AgFe2S3 |
| 6.636(13.33) | 200 | 5.324(16.64) | 60 | 17.846(4.95) | 40 | Bonshtedtite | Na3Fe++(PO4)(CO3) |
| 6.638(13.33) | 200 | 6.464(13.69) | 180 | 11.240(7.86) | 140 | Bamfordite | Fe+++Mo2O6(OH)3·(H2O) |
| 6.638(13.33) | 200 | 6.990(12.65) | 200 | 14.240(6.20) | 200 | Rameauite | K2CaU++++++6O20·9(H2O) |
| 6.640(13.32) | 200 | 6.780(13.05) | 200 | 5.570(15.90) | 140 | Playfairite | Pb16Sb18S43 |
| 6.640(13.32) | 200 | 3.460(25.73) | 180 | 5.140(17.24) | 180 | Bystromite | MgSb2O6 |
| 6.640(13.32) | 200 | 9.980(8.85) | 180 | 4.980(17.80) | 160 | Anandite | (Ba,K)(Fe++,Mg)3(Si,Al,Fe)4O10(S,OH)2 |
| 6.640(13.32) | 200 | 5.878(15.06) | 110 | 6.580(13.45) | 110 | Fizelyite | Pb14Ag5Sb21S48 (?) |
| 6.640(13.32) | 200 | 5.342(16.58) | 160 | 26.800(3.29) | 100 | Hyttsjoite | Pb18Ba2Ca5Mn++2Fe+++2Si30O90Cl·6(H2O) |
| 6.640(13.32) | 200 | 3.824(23.24) | 170 | 5.140(17.24) | 130 | Kadyrelite | Hg4(Br,Cl)2O |
| 6.640(13.32) | 200 | 6.980(12.67) | 60 | 7.360(12.01) | 40 | Lopezite | K2Cr2O7 |
| 6.640(13.32) | 200 | 20.200(4.37) | 144 | 6.700(13.20) | 130 | Masutomilite | K(Li,Al,Mn++)3[(Si,Al)4O10](F,OH)2 |
| 6.640(13.32) | 200 | 5.690(15.56) | 120 | 5.958(14.86) | 120 | Molybdofornacite | Pb2Cu[(As,P)O4][(Mo,Cr)O4](OH) |
| 6.640(13.32) | 200 | 19.900(4.44) | 190 | 5.140(17.24) | 110 | Muscovite | KAl2(Si3Al)O10(OH,F)2 |
| 6.642(13.32) | 200 | 6.716(13.17) | 172 | 6.180(14.32) | 120 | Ferroaluminoceladonite | K2Fe++2Al2Si8O20(OH)4 |
| 6.642(13.32) | 200 | 6.716(13.17) | 172 | 6.180(14.32) | 120 | Ferroceladonite | K2Fe++Fe+++Si8O20(OH)4 |
| 6.644(13.32) | 200 | 9.092(9.72) | 192 | 6.058(14.61) | 170 | Oswaldpeetersite | (UO2)2CO3(OH)2·4(H2O) |
| 6.644(13.32) | 200 | 6.496(13.62) | 186 | 13.880(6.36) | 168 | Sidwillite | MoO3·2(H2O) |
| 6.648(13.31) | 200 | 4.058(21.88) | 180 | 3.462(25.71) | 120 | IMA2009-014 | SrF2 |
| 6.652(13.30) | 200 | 9.580(9.22) | 160 | 6.420(13.78) | 120 | Zinclipscombite | ZnFe+++2(PO4)2(OH) |
| 6.660(13.28) | 200 | 19.900(4.44) | 180 | 4.800(18.47) | 80 | Tainiolite | KLiMg2Si4O10F2 |
| 6.660(13.28) | 200 | 3.868(22.97) | 120 | 2.564(34.97) | 80 | Laurelite | Pb7F12Cl2 |
| 6.660(13.28) | 200 | 5.060(17.51) | 120 | 5.128(17.28) | 120 | Joesmithite | PbCa2(Mg,Fe++,Fe+++)5Si6Be2O22(OH)2 |
| 6.660(13.28) | 200 | 8.960(9.86) | 134 | 7.740(11.42) | 80 | Orlovite | KLi2TiSi4O11F |
| 6.660(13.28) | 200 | 3.610(24.64) | 14 | 5.120(17.31) | 12 | Sopcheite | Ag4Pd3Te4 |
| 6.660(13.28) | 200 | 6.240(14.18) | 110 | 6.060(14.61) | 100 | Wesselsite | SrCu++Si4O10 |
| 6.660(13.28) | 200 | 35.200(2.51) | 200 | 17.300(5.10) | 160 | Liskeardite | (Al,Fe+++)3(AsO4)(OH)6·5(H2O) |
| 6.660(13.28) | 200 | 5.820(15.21) | 120 | 6.900(12.82) | 80 | Ramdohrite | Ag3Pb6Sb11S24 |
| 6.660(13.28) | 200 | 9.700(9.11) | 180 | 7.520(11.76) | 160 | Alloriite | Na5K1.5Ca(Si6Al6O24)(SO4)(OH)0.5·H2O |
| 6.660(13.28) | 200 | 5.214(16.99) | 140 | 3.320(26.83) | 120 | Chernykhite | (Ba,Na)V+++,Al)2(Si,Al)4O10(OH)2 |
| 6.660(13.28) | 200 | 6.540(13.53) | 100 | 9.620(9.19) | 100 | Hentschelite | Cu++Fe+++2(PO4)2(OH)2 |
| 6.666(13.27) | 200 | 8.990(9.83) | 200 | 20.400(4.33) | 200 | Ashburtonite | HPb4Cu++4Si4O12(HCO3)4(OH)4Cl |
| 6.670(13.26) | 200 | 8.860(9.98) | 180 | 6.782(13.04) | 116 | Moganite | SiO2 |
| 6.672(13.26) | 200 | 5.504(16.09) | 136 | 5.756(15.38) | 128 | Ronneburgite | K2MnV4O12 |
| 6.674(13.26) | 200 | 6.496(13.62) | 180 | 6.028(14.68) | 160 | Yakovenchukite-(Y) | K3NaCaY2(Si12O30)·4H2O |
| 6.676(13.25) | 200 | 7.012(12.61) | 180 | 8.000(11.05) | 160 | Augelite | Al2(PO4)(OH)3 |
| 6.680(13.24) | 200 | 4.258(20.84) | 160 | 8.520(10.37) | 160 | Despujolsite | Ca3Mn++++(SO4)2(OH)6·3(H2O) |
| 6.680(13.24) | 200 | 8.520(10.37) | 112 | 8.660(10.21) | 106 | Heklaite | KNaSiF6 |
| 6.680(13.24) | 200 | 5.052(17.54) | 160 | 5.758(15.38) | 160 | Tetrataenite | FeNi |
| 6.680(13.24) | 200 | 9.980(8.85) | 150 | 20.000(4.41) | 150 | Lepidolite | K(Li,Al)3(Si,Al)4O10(F,OH)2 |
| 6.680(13.24) | 200 | 8.520(10.37) | 140 | 4.278(20.75) | 120 | Schaurteite | Ca3Ge++++(SO4)2(OH)6·3(H2O) |
| 6.680(13.24) | 200 | 21.000(4.20) | 200 | 5.220(16.97) | 140 | Veatchite | Sr2B11O16(OH)5·(H2O) |
| 6.684(13.24) | 200 | 8.514(10.38) | 44 | 3.636(24.46) | 28 | Quartz | SiO2 |
| 6.684(13.24) | 200 | 9.464(9.34) | 200 | 6.048(14.63) | 140 | Dwornikite | (Ni,Fe++)SO4·(H2O) |
| 6.685(13.23) | 200 | 5.923(14.94) | 160 | 5.696(15.54) | 90 | Lanarkite | Pb2(SO4)O |
| 6.686(13.23) | 200 | 6.058(14.61) | 126 | 6.120(14.46) | 100 | Erniggliite | Tl2SnAs2S6 |
| 6.690(13.22) | 200 | 6.440(13.74) | 160 | 3.742(23.76) | 100 | Caminite | Mg7(SO4)5(OH)4·(H2O) |
| 6.696(13.21) | 200 | 6.268(14.12) | 170 | 24.900(3.55) | 140 | Charoite | K5Ca8(Si6O15)2(Si2O7)Si4O9(OH)·3(H2O) |
| 6.700(13.20) | 200 | 5.726(15.46) | 190 | 3.960(22.43) | 70 | Cinnabar | HgS |
| 6.700(13.20) | 200 | 3.350(26.59) | 160 | 3.082(28.95) | 120 | Graphite | C |
| 6.700(13.20) | 200 | 3.864(23.00) | 140 | 4.386(20.23) | 100 | Danalite | Fe++4Be3(SiO4)3S |
| 6.700(13.20) | 200 | 6.720(13.16) | 200 | 9.340(9.46) | 180 | Dorfmanite | Na2(PO3OH)·2(H2O) |
| 6.700(13.20) | 200 | 6.260(14.14) | 180 | 3.900(22.78) | 160 | Schultenite | PbHAsO4 |
| 6.700(13.20) | 200 | 6.280(14.09) | 180 | 5.240(16.91) | 140 | Zeravshanite | Cs4Na2Zr3(Si18O45)(H2O)2 |
| 6.700(13.20) | 200 | 6.140(14.41) | 160 | 6.520(13.57) | 160 | Inderborite | CaMg[B3O3(OH)5]2·6(H2O) |
| 6.700(13.20) | 200 | 6.940(12.74) | 200 | 6.040(14.65) | 190 | Celsian | BaAl2Si2O8 |
| 6.700(13.20) | 200 | 6.120(14.46) | 180 | 8.500(10.40) | 120 | Faizievite | K2Na(Ca6Na)Ti4Li6Si24O66F2 |