X-Ray Diffraction Table

X-Ray Diffraction Table

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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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Listing of 486 Records Sorted by D1 using 1.54056 - CuKa1 for 2θ WHERE (d1 > 2.7979 AND d1 < 2.9121)
D1
Å (2θ)
I1
%)
D2
Å (2θ)
I2
(%)
D3
Å (2θ)
I3
(%)
Mineral Formula
2.798(31.96) 100 2.841(31.46) 88 3.158(28.24) 80 Baumstarkite Ag3(Sb,As)2SbS6
2.798(31.96) 100 3.158(28.24) 88 3.425(25.99) 80 Baumstarkite Ag3(Sb,As)2SbS6
2.799(31.95) 100 2.676(33.46) 80 3.464(25.70) 77 Colimaite K3VS4
2.799(31.95) 100 3.045(29.31) 100 3.093(28.84) 80 Clinokurchatovite Ca(Mg,Fe++,Mn)B2O5
2.800(31.94) 100 5.580(15.87) 67 2.950(30.27) 17 Orthojoaquinite-(La) Ba2Na(La,Ce)2Fe++Ti2Si8O26(OH,O,F)•H2O
2.800(31.94) 100 5.580(15.87) 70 2.950(30.27) 18 Joaquinite-(Ce) NaFe++Ba2Ce2(Ti,Nb)2[Si4O12]2O2(OH,F)•(H2O)
2.800(31.94) 100 1.856(49.04) 100 3.500(25.43) 100 Plattnerite PbO2
2.800(31.94) 100 3.710(23.97) 30 1.945(46.66) 30 Nadorite PbSbO2Cl
2.800(31.94) 100 3.100(28.77) 90 3.000(29.76) 90 Yuksporite (Sr,Ba)2K4(Ca,Na)14([ ],Mn,Fe){(Ti,Nb)4(O,OH)4[Si6O17]2[Si2O7]3}(H2O,OH)n, n~3
2.800(31.94) 100 3.800(23.39) 100 5.850(15.13) 35 Bazirite BaZrSi3O9
2.800(31.94) 100 3.550(25.06) 100 9.100(9.71) 60 Synchysite-(Ce) CaCe(CO3)2F
2.800(31.94)
-
3.110(28.68)
-
4.030(22.04)
-
Suolunite Ca2Si2O5(OH)2•(H2O)
2.800(31.94) 100 3.000(29.76) 90 3.100(28.77) 90 Yuksporite (Sr,Ba)2K4(Ca,Na)14([ ],Mn,Fe){(Ti,Nb)4(O,OH)4[Si6O17]2[Si2O7]3}(H2O,OH)n, n~3
2.800(31.94) 100 1.945(46.66) 30 3.710(23.97) 30 Nadorite PbSbO2Cl
2.800(31.94) 100 2.314(38.89) 60 2.405(37.36) 50 Tellurohauchecornite Ni9BiTeS8
2.800(31.94) 100 2.560(35.02) 90 1.670(54.94) 80 Manganberzeliite (Ca,Na)3(Mn,Mg)2(AsO4)3
2.800(31.94) 100 2.702(33.13) 60 2.772(32.27) 55 Apatite-(CaF) Ca5(PO4)3F
2.801(31.92) 100 7.310(12.10) 80 2.787(32.09) 80 Ponomarevite K4Cu++4OCl10
2.801(31.92) 100 2.637(33.97) 100 3.171(28.12) 100 Austinite CaZn(AsO4)(OH)
2.801(31.92) 100 2.967(30.09) 72 3.001(29.75) 48 Strontio-orthojoaquinite (Na,Fe++)2Ba2Sr2Ti2[Si4O12]2(O,OH)2•(H2O)
2.801(31.92) 100 2.967(30.09) 72 3.001(29.75) 48 Strontiojoaquinite (Na,Fe++)2Ba2Sr2Ti2[Si4O12]2(O,OH)2•(H2O)
2.801(31.92) 100 2.811(31.81) 100 6.580(13.45) 90 Vitusite-(Ce) Na3(Ce,La,Nd)(PO4)2
2.801(31.92) 100 2.787(32.09) 80 7.310(12.10) 80 Ponomarevite K4Cu++4OCl10
2.803(31.90) 100 2.720(32.90) 70 3.840(23.14) 55 Nahpoite Na2HPO4
2.803(31.90) 100 2.558(35.05) 60 3.132(28.47) 55 Palenzonaite (Ca,Na)3Mn++(V+++++,As+++++,Si)3O12
2.805(31.88) 100 2.703(33.11) 80 2.066(43.78) 60 Mattagamite CoTe2
2.806(31.87) 100 1.766(51.72) 80 2.613(34.29) 80 Melanostibite Mn(Sb+++++,Fe+++)O3
2.806(31.87) 100 2.613(34.29) 80 1.766(51.72) 80 Melanostibite Mn(Sb+++++,Fe+++)O3
2.807(31.85) 100 3.384(26.31) 95 3.117(28.61) 90 Dansite Na21Mg(SO4)10Cl3
2.807(31.85) 100 3.690(24.10) 97 3.640(24.43) 95 Kudriavite (Cd,Pb)Bi2S4
2.809(31.83) 100 3.027(29.48) 100 3.108(28.70) 100 Calciocopiapite CaFe+++4(SO4)6(OH)2•19(H2O)
2.809(31.83) 100 9.390(9.41) 90 2.920(30.59) 70 Lunokite (Mn,Ca)(Mg,Fe++,Mn)Al(PO4)2(OH)•4(H2O)
2.809(31.83) 100 3.108(28.70) 100 3.027(29.48) 100 Calciocopiapite CaFe+++4(SO4)6(OH)2•19(H2O)
2.810(31.82) 100 1.437(64.83) 60 2.065(43.80) 50 Reidite ZrSiO4
2.810(31.82) 100 1.830(49.79) 100 3.090(28.87) 100 Plombierite Ca5H2Si6O18•6H2O
2.810(31.82) 100 3.440(25.88) 40 1.840(49.50) 40 Tritomite-(Ce) (Ce,La,Ca,Y,Th)5(Si,B)3(O,OH,F)13
2.810(31.82) 100 3.440(25.88) 40 1.840(49.50) 40 Melanocerite-(Ce) (Ce,Th,Ca)5(Si,B)3O12(OH,F)•n(H2O) (?)
2.810(31.82) 100 5.270(16.81) 40 2.420(37.12) 40 Childrenite Fe++Al(PO4)(OH)2•(H2O)
2.810(31.82) 100 5.270(16.81) 40 2.420(37.12) 40 Eosphorite MnAl(PO4)(OH)2•(H2O)
2.810(31.82) 100 1.755(52.07) 60 1.437(64.83) 50 Reidite ZrSiO4
2.810(31.82) 100 1.840(49.50) 40 3.440(25.88) 40 Tritomite-(Ce) (Ce,La,Ca,Y,Th)5(Si,B)3(O,OH,F)13
2.810(31.82) 100 2.420(37.12) 40 5.270(16.81) 40 Eosphorite MnAl(PO4)(OH)2•(H2O)
2.810(31.82) 100 2.420(37.12) 40 5.270(16.81) 40 Childrenite Fe++Al(PO4)(OH)2•(H2O)
2.810(31.82) 100 2.590(34.60) 90 2.030(44.60) 80 Seinajokite (Fe,Ni)(Sb,As)2
2.810(31.82) 100 3.050(29.26) 80 7.610(11.62) 50 Olshanskyite Ca2[B3O3(OH)6]OH•3(H2O)
2.810(31.82) 100 2.750(32.53) 90 2.730(32.78) 80 Britholite-(Y) (Y,Ca)5(SiO4,PO4)3(OH,F)
2.810(31.82) 100 2.710(33.03) 70 2.070(43.69) 50 Frohbergite FeTe2
2.810(31.82) 100 1.840(49.50) 40 3.440(25.88) 40 Melanocerite-(Ce) (Ce,Th,Ca)5(Si,B)3O12(OH,F)•n(H2O) (?)
2.811(31.81) 100 2.801(31.92) 100 6.580(13.45) 90 Vitusite-(Ce) Na3(Ce,La,Nd)(PO4)2
2.811(31.81) 100 4.150(21.39) 80 2.920(30.59) 80 Zabuyelite Li2CO3
2.811(31.81) 100 2.920(30.59) 80 4.150(21.39) 80 Zabuyelite Li2CO3
2.811(31.81) 100 3.090(28.87) 80 3.610(24.64) 70 Parabrandtite Ca2Mn++(AsO4)•2(H2O)
2.812(31.80) 100 2.958(30.19) 100 3.006(29.70) 100 Kombatite Pb14(VO4)2O9Cl4
2.812(31.80) 100 2.990(29.86) 100 3.070(29.06) 100 Jeppeite (K,Ba)2(Ti,Fe+++)6O13
2.812(31.80) 100 3.160(28.22) 90 3.460(25.73) 80 Axinite-(Fe) Ca2Fe++Al2BO3Si4O12(OH)
2.812(31.80) 100 3.006(29.70) 100 2.958(30.19) 100 Kombatite Pb14(VO4)2O9Cl4
2.812(31.80) 100 3.070(29.06) 100 2.990(29.86) 100 Jeppeite (K,Ba)2(Ti,Fe+++)6O13
2.812(31.80) 100 3.257(27.36) 100 3.132(28.47) 100 Kornite Na(CaNa)Fe++4(Al,Fe+++)Si7AlO22(OH)2
2.812(31.80) 100 3.460(25.73) 80 6.300(14.05) 70 Tinzenite (Ca,Mn,Fe)3Al2BO3Si4O12(OH)
2.812(31.80) 100 3.132(28.47) 100 3.257(27.36) 100 Kornite Na(CaNa)Fe++4(Al,Fe+++)Si7AlO22(OH)2
2.813(31.78) 100 1.896(47.94) 75 3.048(29.28) 65 Covellite CuS
2.813(31.78) 100 5.630(15.73) 90 2.860(31.25) 70 Criddleite TlAg2Au3Sb10S10
2.814(31.77) 100 2.720(32.90) 60 2.778(32.20) 60 Apatite-(CaOH) Ca5(PO4)3(OH)
2.814(31.77) 100 3.017(29.58) 70 3.640(24.43) 65 Fillowite Na2Ca(Mn,Fe++)7(PO4)6
2.814(31.77) 100 3.077(28.99) 100 3.630(24.50) 90 Gillulyite Tl2(As,Sb)8S13
2.814(31.77) 100 2.778(32.20) 60 2.720(32.90) 60 Apatite-(CaOH) Ca5(PO4)3(OH)
2.816(31.75) 100 2.540(35.31) 100 3.528(25.22) 100 Junitoite CaZn2Si2O7•(H2O)
2.817(31.74) 100 3.747(23.73) 80 2.505(35.82) 80 Stanfieldite Ca4(Mg,Fe++,Mn)5(PO4)6
2.817(31.74) 100 2.505(35.82) 80 3.747(23.73) 80 Stanfieldite Ca4(Mg,Fe++,Mn)5(PO4)6
2.817(31.74) 100 4.360(20.35) 80 2.594(34.55) 70 Weloganite Sr3Na2Zr(CO3)6•3(H2O)
2.818(31.73) 100 3.650(24.37) 90 1.744(52.42) 80 Tusionite MnSn++++(BO3)2
2.819(31.72) 100 3.077(28.99) 80 3.209(27.78) 60 Joosteite (Mn++,Mn+++,Fe+++)2(PO4)O
2.820(31.70) 100 3.370(26.43) 90 3.240(27.51) 90 Borodaevite Ag5(Bi,Sb)9S16
2.820(31.70) 100 3.220(27.68) 40 1.940(46.79) 30 Aramayoite Ag3Sb2(Sb,Bi)S6
2.820(31.70) 100 3.210(27.77) 80 2.720(32.90) 60 Smithite AgAsS2
2.820(31.70) 100 1.549(59.64) 60 1.920(47.30) 50 Melonite NiTe2
2.820(31.70) 100 3.120(28.59) 100 4.010(22.15) 80 Mcbirneyite Cu3(VO4)2
2.820(31.70) 100 3.010(29.65) 90 6.030(14.68) 55 Rhabdophane-(Ce) (Ce,La)PO4•(H2O)
2.820(31.70) 100 2.870(31.14) 80 6.210(14.25) 80 Warikahnite Zn3(AsO4)2•2(H2O)
2.820(31.70) 100 2.570(34.88) 70 2.880(31.03) 70 Sursassite Mn++2Al3(SiO4)(Si2O7)(OH)3
2.820(31.70) 100 2.910(30.70) 100 2.860(31.25) 100 Franckeite (Pb,Sn)6Fe++Sn2Sb2S14
2.820(31.70) 100 2.450(36.65) 38 1.485(62.49) 33 Cleusonite Pb(U++++,U++++++)(Ti,Fe++,Fe+++)20(O,OH)38
2.820(31.70) 100 1.965(46.16) 30 2.870(31.14) 30 Sergeevite Ca2Mg11(CO3)9(HCO3)4(OH)4•6(H2O)
2.820(31.70) 100 5.400(16.40) 100 5.000(17.72) 100 Atacamite Cu2Cl(OH)3
2.820(31.70) 100 3.240(27.51) 90 3.370(26.43) 90 Borodaevite Ag5(Bi,Sb)9S16
2.820(31.70) 100 3.270(27.25) 70 1.961(46.26) 60 Schirmerite Ag3Pb3Bi9S18 to Ag3Pb6Bi7S18
2.820(31.70) 100 2.910(30.70) 100 3.440(25.88) 100 Franckeite (Pb,Sn)6Fe++Sn2Sb2S14
2.820(31.70) 100 1.920(47.30) 60 2.060(43.92) 50 Melonite NiTe2
2.820(31.70) 100 2.880(31.03) 70 2.570(34.88) 70 Sursassite Mn++2Al3(SiO4)(Si2O7)(OH)3
2.820(31.70) 100 6.210(14.25) 80 2.870(31.14) 80 Warikahnite Zn3(AsO4)2•2(H2O)
2.820(31.70) 100 2.870(31.14) 30 1.965(46.16) 30 Sergeevite Ca2Mg11(CO3)9(HCO3)4(OH)4•6(H2O)
2.820(31.70) 100 2.870(31.14) 30 3.580(24.85) 30 Sergeevite Ca2Mg11(CO3)9(HCO3)4(OH)4•6(H2O)
2.820(31.70) 100 5.000(17.72) 100 5.400(16.40) 100 Atacamite Cu2Cl(OH)3
2.820(31.70) 100 3.440(25.88) 100 2.910(30.70) 100 Franckeite (Pb,Sn)6Fe++Sn2Sb2S14
2.820(31.70) 100 3.440(25.88) 90 2.117(42.67) 50 Trimounsite-(Y) (Y,REE)2Ti2SiO9
2.821(31.69) 100 3.620(24.57) 75 3.100(28.77) 65 Cascandite Ca(Sc,Fe++)Si3O8(OH)
2.821(31.69) 100 2.987(29.89) 64 3.137(28.43) 33 Pyrophosphite K2CaP2O7
2.821(31.69) 100 2.551(35.15) 80 2.806(31.87) 70 Dellaite Ca6Si3O11(OH)2
2.821(31.69) 100 1.994(45.45) 55 1.628(56.48) 15 Halite NaCl
2.822(31.68) 100 3.363(26.48) 50 3.118(28.61) 27 Sicherite TlAg2(As,Sb)3S6

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