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 |
18.300(4.82) | 200 | 5.620(15.76) | 100 | 9.200(9.61) | 80 | Jahnsite-(CaMnFe) | CaMn++Fe++2Fe+++2(PO4)4(OH)2·8(H2O) |
18.320(4.82) | 200 | 5.680(15.59) | 160 | 5.840(15.16) | 160 | Inesite | Ca2Mn7Si10O28(OH)2·5(H2O) |
18.320(4.82) | 200 | 5.814(15.23) | 120 | 5.608(15.79) | 100 | Willhendersonite | KCaAl3Si3O12·5(H2O) |
18.354(4.81) | 200 | 9.176(9.63) | 64 | 6.118(14.47) | 30 | Lemanskiite | NaCaCu5(AsO4)4Cl·5H2O |
18.360(4.81) | 200 | 15.820(5.58) | 160 | 6.500(13.61) | 130 | Howieite | Na(Fe++,Mn++)10(Fe,Al)2Si12O31(OH)13 |
18.366(4.81) | 200 | 2.148(42.03) | 42 | 6.512(13.59) | 32 | Menezesite | Ba2MgZr4(BaNb12O42)·12H2O |
18.400(4.80) | 200 | 19.200(4.60) | 200 | 7.800(11.33) | 140 | Bukovskyite | Fe+++2(AsO4)(SO4)(OH)·7(H2O) |
18.400(4.80) | 200 | 10.120(8.73) | 120 | 10.820(8.16) | 100 | Sinkankasite | H2MnAl(PO4)2(OH)·6(H2O) |
18.400(4.80) | 200 | 11.160(7.92) | 160 | 36.200(2.44) | 160 | Aluminocopiapite | Al2/3Fe+++4(SO4)6O(OH)2·20(H2O) |
18.436(4.79) | 200 | 5.638(15.70) | 140 | 5.186(17.08) | 50 | Jahnsite-(NaFeMg) | NaFe+++Mg2Fe+++2(PO4)4(OH)2·8H2O |
18.460(4.78) | 200 | 36.800(2.40) | 200 | 11.140(7.93) | 140 | Copiapite | Fe++Fe+++4(SO4)6(OH)2·20(H2O) |
18.500(4.77) | 200 | 12.240(7.22) | 160 | 7.120(12.42) | 120 | Zincocopiapite | ZnFe+++4(SO4)6(OH)2·18(H2O) |
18.540(4.76) | 200 | 5.562(15.92) | 160 | 5.882(15.05) | 140 | Whiteite-(CaFeMg) | Ca(Fe++,Mn++)Mg2Al2(PO4)4(OH)2·8(H2O) |
18.540(4.76) | 200 | 4.878(18.17) | 160 | 7.380(11.98) | 140 | Shabynite | Mg5(BO3)Cl2(OH)5·4(H2O) |
18.540(4.76) | 200 | 9.700(9.11) | 50 | 4.560(19.45) | 40 | Uramarsite | (NH4,H3O)2(UO2)2(AsO4,PO4)2·6H2O |
18.540(4.76) | 200 | 5.650(15.67) | 160 | 9.820(9.00) | 120 | Jahnsite-(CaMnMg) | CaMnMg2Fe+++2(PO4)4(OH)2·8(H2O) |
18.560(4.76) | 200 | 9.284(9.52) | 100 | 5.668(15.62) | 70 | Jahnsite-(CaFeFe) | (Ca,Mn)(Fe++,Mn++)Fe++2Fe+++2(PO4)4(OH)2·8(H2O) |
18.560(4.76) | 200 | 6.902(12.82) | 160 | 6.188(14.30) | 160 | IMA2009-008 | Y2[(UO2)8O6(SO4)4(OH)2]·26H2O |
18.580(4.75) | 200 | 37.140(2.38) | 180 | 11.200(7.89) | 160 | Magnesiocopiapite | MgFe+++4(SO4)6(OH)2·20(H2O) |
18.580(4.75) | 200 | 9.280(9.52) | 180 | 8.520(10.37) | 160 | Sarmientite | Fe+++2(AsO4)(SO4)(OH)·5(H2O) |
18.600(4.75) | 200 | 12.560(7.03) | 180 | 9.780(9.03) | 120 | Levinsonite-(Y) | (Y,Nd,La)Al(SO4)2(C2O4)·12(H2O) |
18.600(4.75) | 200 | 5.720(15.48) | 140 | 3.440(25.88) | 120 | Englishite | K3Na2Ca10Al15(PO4)21(OH)7·26(H2O) |
18.620(4.74) | 200 | 5.580(15.87) | 160 | 9.700(9.11) | 100 | Whiteite-(CaMnMg) | CaMn++Mg2Al2(PO4)4(OH)2·8(H2O) |
18.640(4.74) | 200 | 5.560(15.93) | 180 | 5.900(15.00) | 100 | Whiteite-(MnFeMg) | (Mn++,Ca)(Fe++,Mn++)Mg2Al2(PO4)4(OH)2·8(H2O) |
18.680(4.73) | 200 | 14.180(6.23) | 100 | 7.094(12.47) | 80 | Janggunite | Mn++++5-x(Mn++,Fe+++)1+xO8(OH)6, x = 0,2 |
18.698(4.72) | 200 | 6.412(13.80) | 80 | 6.214(14.24) | 60 | Meurigite-Na | [Na(H2O)2.5][Fe+++8(PO4)6(OH)7(H2O)4] |
18.700(4.72) | 200 | 3.060(29.16) | 110 | 9.180(9.63) | 90 | Talc | Mg3Si4O10(OH)2 |
18.760(4.71) | 200 | 5.604(15.80) | 160 | 9.380(9.42) | 100 | Rittmannite | Mn++Mn++Fe++Al2(OH)2(PO4)4·8(H2O) |
18.760(4.71) | 200 | 4.982(17.79) | 160 | 9.180(9.63) | 140 | Micheelsenite | (Ca,Y)3Al[PO3OH,CO3](CO3)(OH)6·12(H2O) |
18.760(4.71) | 200 | 5.680(15.59) | 180 | 5.200(17.04) | 160 | Kaluginite | (Mn++,Ca)MgFe+++(PO4)2(OH)·4(H2O) |
18.780(4.70) | 200 | 5.720(15.48) | 180 | 9.400(9.40) | 100 | Manganosegelerite | (Mn,Ca)(Mn,Fe++,Mg)Fe+++(PO4)2(OH)·4(H2O) |
18.800(4.70) | 200 | 9.360(9.44) | 160 | 7.360(12.01) | 140 | Basaluminite | Al4(SO4)(OH)10·5(H2O) |
18.800(4.70) | 200 | 5.740(15.42) | 160 | 9.408(9.39) | 60 | Jahnsite-(CaMnMn) | CaMn++Mn++2Fe+++2(PO4)4(OH)2·8(H2O) |
18.800(4.70) | 200 | 6.240(14.18) | 56 | 5.006(17.70) | 46 | Willemseite | (Ni,Mg)3Si4O10(OH)2 |
18.800(4.70) | 200 | 7.002(12.63) | 110 | 4.664(19.01) | 60 | Spencerite | Zn4(PO4)2(OH)2·3(H2O) |
18.820(4.69) | 200 | 6.826(12.96) | 110 | 7.626(11.59) | 80 | Kidwellite | Na(Fe+++,Cu)9+x(PO4)6(OH)11·3(H2O) |
18.860(4.68) | 200 | 6.948(12.73) | 160 | 6.732(13.14) | 120 | Threadgoldite | Al(UO2)2(PO4)2(OH)·8(H2O) |
18.866(4.68) | 200 | 5.636(15.71) | 100 | 5.792(15.28) | 60 | Goldquarryite | (Cu,[ ])(Cd,Ca)2Al3(PO4)4F2(H2O)10{(H2O,F)}2 |
18.868(4.68) | 200 | 8.056(10.97) | 26 | 9.882(8.94) | 22 | Ravatite | C14H10 |
18.900(4.67) | 200 | 6.226(14.21) | 72 | 9.400(9.40) | 32 | Hendersonite | Ca1.3V6O16·6(H2O) |
18.940(4.66) | 200 | 6.880(12.86) | 160 | 9.480(9.32) | 160 | Marecottite | Mg3(H2O)18[(UO2)4O3(SO4)2]2·10(H2O) |
18.960(4.66) | 200 | 7.920(11.16) | 180 | 5.566(15.91) | 160 | Greifensteinite | Ca2Be4(Fe++,Mn)5(PO4)6(OH)4·6(H2O) |
18.960(4.66) | 200 | 28.720(3.07) | 200 | 14.760(5.98) | 140 | Paramendozavilite | NaAl4Fe+++7(PO4)5(P+++++Mo++++++12O40)(OH)16·56(H2O) |
18.980(4.65) | 200 | 8.312(10.63) | 120 | 13.720(6.44) | 70 | Laumontite | CaAl2Si4O12·4(H2O) |
18.980(4.65) | 200 | 5.824(15.20) | 88 | 5.780(15.32) | 70 | Juonniite | CaMgSc(PO4)2(OH)·4(H2O) |
19.000(4.65) | 200 | 18.620(4.74) | 170 | 7.172(12.33) | 78 | IMA2000-020 | Fe4[AsO3OH]5[AsO2(OH)2]2·20(H2O) |
19.000(4.65) | 200 | 6.260(14.14) | 120 | 8.700(10.16) | 100 | Phosphofibrite | KCuFe+++15(PO4)12(OH)12·12(H2O) |
19.040(4.64) | 200 | 5.320(16.65) | 140 | 5.080(17.44) | 120 | Cassagnaite | (Ca,Mn++)4(Fe+++,Mn+++,Al)4(OH)4(V+++,Mg,Al)2(O,OH)4(Si3O10)(SiO4)2 |
19.040(4.64) | 200 | 19.720(4.48) | 200 | 7.580(11.66) | 160 | Chelyabinskite | (Ca,Mg)3Si(OH)6(SO4,CO3)2·9(H2O) |
19.080(4.63) | 200 | 5.060(17.51) | 140 | 6.360(13.91) | 100 | Minnesotaite | (Fe++,Mg)3Si4O10(OH)2 |
19.080(4.63) | 200 | 16.240(5.44) | 80 | 9.120(9.69) | 42 | Canavesite | Mg2(CO3)(HBO3)·5(H2O) |
19.100(4.62) | 200 | 8.216(10.76) | 140 | 8.016(11.03) | 100 | IMA2008-046 | MgZr(PO4)2·4H2O |
19.120(4.62) | 200 | 11.020(8.02) | 80 | 6.820(12.97) | 40 | Thaumasite | Ca3Si(CO3)(SO4)(OH)6·12(H2O) |
19.140(4.61) | 200 | 7.660(11.54) | 160 | 11.060(7.99) | 160 | Carraraite | Ca3Ge(OH)6(SO4)(CO3 )·12H2 O |
19.200(4.60) | 200 | 6.496(13.62) | 180 | 7.368(12.00) | 180 | Pahasapaite | Li8(Ca,Li,K,Na)11Be24(PO4)24·38(H2O) |
19.200(4.60) | 200 | 6.080(14.56) | 200 | 3.420(26.03) | 160 | Sampleite | NaCaCu5(PO4)4Cl·5(H2O) |
19.200(4.60) | 200 | 7.620(11.60) | 120 | 11.060(7.99) | 120 | Jouravskite | Ca3Mn++++(SO4,CO3)2(OH)6·12(H2O) |
19.200(4.60) | 200 | 9.560(9.24) | 90 | 6.380(13.87) | 50 | Zussmanite | K(Fe++,Mg,Mn)13[AlSi17O42](OH)14 |
19.260(4.58) | 200 | 11.820(7.47) | 92 | 4.356(20.37) | 66 | Meniaylovite | Ca4AlSi(SO4)F13·12(H2O) |
19.260(4.58) | 200 | 6.078(14.56) | 140 | 13.580(6.50) | 80 | Piypite | K2Cu2(SO4)2O |
19.280(4.58) | 200 | 6.290(14.07) | 100 | 8.920(9.91) | 80 | Calcioandyrobertsite-1M | KCaCu5(AsO4)4[As(OH)2O2]·2(H2O) |
19.280(4.58) | 200 | 6.290(14.07) | 100 | 8.920(9.91) | 80 | Andyrobertsite | KCdCu5(AsO4)4[As(OH)2O2]·2(H2O) |
19.300(4.57) | 200 | 11.160(7.92) | 160 | 6.420(13.78) | 120 | Ettringite | Ca6Al2(SO4)3(OH)12·26(H2O) |
19.312(4.57) | 200 | 11.184(7.90) | 80 | 3.884(22.88) | 40 | Bentorite | Ca6(Cr,Al)2(SO4)3(OH)12·26(H2O) |
19.320(4.57) | 200 | 9.700(9.11) | 100 | 11.180(7.90) | 70 | Zellerite | Ca(UO2)(CO3)2·5(H2O) |
19.340(4.57) | 200 | 7.780(11.36) | 140 | 11.160(7.92) | 140 | Sturmanite | Ca6(Fe+++,Al,Mn++)2(SO4)2[B(OH)4](OH)12·25(H2O) |
19.340(4.57) | 200 | 11.160(7.92) | 140 | 7.780(11.36) | 140 | Charlesite | Ca6(Al,Si)2(SO4)2B(OH)4(OH,O)12·26(H2O) |
19.360(4.56) | 200 | 9.600(9.20) | 160 | 4.780(18.55) | 80 | Todorokite | (Na,Ca,K)2(Mn++++,Mn+++)6O12·3-4.5(H2O) |
19.360(4.56) | 200 | 5.112(17.33) | 180 | 5.586(15.85) | 140 | Coombsite | K(Mn++,Fe++,Mg)13(Si,Al)18O42(OH)14 |
19.360(4.56) | 200 | 9.620(9.19) | 130 | 10.160(8.70) | 130 | Bermanite | Mn++Mn+++2(PO4)2(OH)2·4(H2O) |
19.380(4.56) | 200 | 9.720(9.09) | 180 | 6.940(12.74) | 160 | Sabugalite | HAl(UO2)4(PO4)4·16(H2O) |
19.380(4.56) | 200 | 9.720(9.09) | 180 | 12.920(6.84) | 180 | Sigloite | Fe+++Al2(PO4)2(OH)3·5(H2O) |
19.400(4.55) | 200 | 9.668(9.14) | 160 | 5.112(17.33) | 140 | Leisingite | Cu(Mg,Cu,Fe,Zn)2Te++++++O6·6(H2O) |
19.400(4.55) | 200 | 6.440(13.74) | 160 | 5.110(17.34) | 140 | Chukhrovite-(Nd) | Ca3(Nd,Y)Al2(SO4)F13·12(H2O) |
19.440(4.54) | 200 | 13.340(6.62) | 160 | 14.840(5.95) | 140 | Lasalite | Na2Mg2(V10O28)·20H2O |
19.500(4.53) | 200 | 6.416(13.79) | 180 | 6.094(14.52) | 100 | Tooeleite | Fe+++6(AsO3)4(SO4)(OH)4·4H2O |
19.500(4.53) | 200 | 12.700(6.95) | 60 | 18.480(4.78) | 40 | Mitryaevaite | Al5[(PO4)2[(P,S)O3(OH,O)]2F2(OH)2(H2O)8·6.48(H2O) |
19.500(4.53) | 200 | 7.206(12.27) | 200 | 7.632(11.59) | 180 | Amstallite | CaAl(Si,Al)4O8(OH)4·((H2O),Cl) |
19.500(4.53) | 200 | 11.860(7.45) | 160 | 6.440(13.74) | 140 | Chukhrovite-(Ce) | Ca3(Ce,Y)Al2(SO4)F13·10(H2O) |
19.540(4.52) | 200 | 6.220(14.23) | 140 | 9.740(9.07) | 100 | Lavendulan | NaCaCu5(AsO4)4Cl·5(H2O) |
19.556(4.51) | 200 | 6.500(13.61) | 120 | 6.852(12.91) | 120 | Schieffelinite | Pb(Te++++++,S)O4·(H2O) |
19.560(4.51) | 200 | 6.340(13.96) | 160 | 5.660(15.64) | 140 | Gordonite | MgAl2(PO4)2(OH)2·8(H2O) |
19.600(4.50) | 200 | 13.800(6.40) | 160 | 5.580(15.87) | 140 | Earlshannonite | (Mn,Fe++)Fe+++2(PO4)2(OH)2·4(H2O) |
19.620(4.50) | 200 | 9.810(9.01) | 86 | 6.436(13.75) | 38 | Sengierite | Cu2(UO2)2V2O8·6(H2O) |
19.650(4.49) | 200 | 5.894(15.02) | 120 | 11.774(7.50) | 100 | Braithwaiteite | NaCu5(Ti,Sb)2O2(AsO4)4[AsO3(OH)]2·8H2O |
19.660(4.49) | 200 | 6.264(14.13) | 180 | 9.850(8.97) | 120 | Zdenekite | NaPbCu++5(AsO4)4Cl·5(H2O) |
19.660(4.49) | 200 | 6.600(13.40) | 130 | 9.920(8.91) | 80 | Koktaite | (NH4)2Ca(SO4)2·(H2O) |
19.698(4.48) | 200 | 8.772(10.08) | 180 | 9.848(8.97) | 160 | Kunatite | CuFe+++2(PO4)2(OH)2·4H2O |
19.700(4.48) | 200 | 6.980(12.67) | 180 | 9.900(8.92) | 160 | Saleeite | Mg(UO2)2(PO4)2·10(H2O) |
19.720(4.48) | 200 | 6.400(13.83) | 160 | 13.140(6.72) | 160 | Ushkovite | MgFe+++2(PO4)2(OH)2·8(H2O) |
19.780(4.46) | 200 | 12.800(6.90) | 130 | 9.860(8.96) | 60 | Paravauxite | Fe++Al2(PO4)2(OH)2·8(H2O) |
19.800(4.46) | 200 | 5.328(16.62) | 160 | 6.252(14.15) | 120 | Ercitite | Na2(H2O)4[Mn+++2(OH)2(PO4)2] |
19.800(4.46) | 200 | 12.800(6.90) | 180 | 9.800(9.02) | 160 | Maghrebite | MgAl2(AsO4)2(OH)2·8H2O |
19.820(4.45) | 200 | 6.560(13.49) | 180 | 9.900(8.92) | 160 | Laueite | Mn++Fe+++2(PO4)2(OH)2·8(H2O) |
19.834(4.45) | 200 | 9.914(8.91) | 100 | 13.082(6.75) | 72 | Kastningite | (Mn++,Fe++,Mg)Al2(PO4 )2(OH)2·8(H2O) |
19.840(4.45) | 200 | 6.310(14.02) | 180 | 8.348(10.59) | 180 | Metavanuralite | Al(UO2)2(VO4)2(OH)·8(H2O) |
19.852(4.45) | 200 | 11.738(7.53) | 140 | 6.944(12.74) | 80 | Pseudolaueite | Mn++Fe+++2(PO4)2(OH)2·7-8(H2O) |
19.920(4.43) | 200 | 8.840(1-) | 80 | 12.740(6.93) | 80 | Matulaite | CaAl18(PO4)12(OH)20·28(H2O) |
19.960(4.42) | 200 | 5.980(14.80) | 80 | 7.860(11.25) | 80 | Stewartite | Mn++Fe+++2(PO4)2(OH)2·8(H2O) |
19.980(4.42) | 200 | 6.740(13.12) | 160 | 6.240(14.18) | 160 | Fluorophlogopite | KMg3(AlSi3)O10F2 |
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