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 127 Records Sorted by D1 using 1.54056 - CuKa1 for 2θ WHERE (d1 > 3.58288 AND d1 < 3.72912)
D1
Å (2θ)
I1
%)
D2
Å (2θ)
I2
(%)
D3
Å (2θ)
I3
(%)
Mineral Formula
3.583(24.83) 100 2.891(30.91) 100 7.250(12.20) 100 Schneiderhohnite Fe++Fe+++3As+++5O13
3.584(24.82) 100 3.161(28.21) 100 3.644(24.41) 100 Friedrichite Pb5Cu5Bi7S18
3.587(24.80) 100 3.139(28.41) 25 7.210(12.27) 20 Clinoclase Cu3(AsO4)(OH)3
3.590(24.78) 100 3.310(26.91) 100 3.070(29.06) 100 Polylithionite KLi2AlSi4O10(F,OH)2
3.590(24.78) 100 3.490(25.50) 90 2.700(33.15) 90 Pierrotite Tl2Sb6As4S16
3.590(24.78) 100 1.540(60.02) 100 4.360(20.35) 100 Neotocite (Mn,Fe++)SiO3•(H2O) (?)
3.590(24.78) 100 10.300(8.58) 100 5.200(17.04) 70 Zeunerite Cu(UO2)2(AsO4)2•10-16(H2O)
3.590(24.78) 100 2.700(33.15) 90 3.490(25.50) 90 Pierrotite Tl2Sb6As4S16
3.590(24.78) 100 8.550(10.34) 90 4.290(20.69) 60 Metakahlerite Fe++(UO2)2(AsO4)2•8(H2O)
3.590(24.78) 100 8.660(10.21) 70 2.980(29.96) 60 Metalodevite Zn(UO2)2(AsO4)2•10(H2O)
3.593(24.76) 100 3.498(25.44) 50 2.487(36.09) 32 Cerussite PbCO3
3.593(24.76) 100 3.316(26.86) 90 3.024(29.51) 80 Althausite Mg2(PO4)(OH,F,O)
3.599(24.72) 100 5.804(15.25) 74 2.814(31.77) 66 Uzonite As4S5
3.600(24.71) 100 8.340(10.60) 90 4.230(20.98) 40 Metauranocircite Ba(UO2)2(PO4)2•6-8(H2O)
3.600(24.71) 100 3.490(25.50) 100 3.280(27.16) 100 Iranite Pb10Cu(CrO4)6(SiO4)2(F,OH)2
3.600(24.71) 100 3.090(28.87) 100 3.060(29.16) 100 Ziesite Cu2V+++++2O7
3.600(24.71) 100 3.410(26.11) 90 5.550(15.96) 70 Chenite Pb4Cu(SO4)2(OH)6
3.600(24.71) 100 1.840(49.50) 90 3.130(28.49) 80 Orlymanite Ca4Mn++3Si8O20(OH)6•2(H2O)
3.600(24.71) 100 3.180(28.04) 80 5.190(17.07) 70 Tisinalite Na3H3(Mn++,Ca,Fe)TiSi6(O,OH)18•2(H2O)
3.603(24.69) 100 9.750(9.06) 100 3.816(23.29) 90 Amstallite CaAl(Si,Al)4O8(OH)4•((H2O),Cl)
3.607(24.66) 100 2.799(31.95) 85 2.777(32.21) 40 Kamaishilite Ca2Al2SiO6(OH)2
3.610(24.64) 100 9.080(9.73) 90 1.619(56.82) 60 Przhevalskite Pb(UO2)2(PO4)2•4(H2O)
3.610(24.64) 100 7.250(12.20) 100 3.170(28.13) 80 Metavandendriesscheite PbU7O22•n(H2O)(n<12)
3.610(24.64) 100 7.250(12.20) 100 3.170(28.13) 75 Vandendriesscheite Pb(UO2)10O6(OH)11•11(H2O)
3.619(24.58) 100 2.635(33.99) 80 3.437(25.90) 60 Fleischerite Pb3Ge(SO4)2(OH)6•3(H2O)
3.620(24.57) 100 3.320(26.83) 50 3.150(28.31) 50 Giessenite Pb13(Cu,Ag)(Bi,Sb)9S28 (?)
3.620(24.57) 100 3.510(25.35) 90 2.786(32.10) 90 Pekovite SrB2Si2O8
3.620(24.57) 100 3.390(26.27) 70 6.070(14.58) 60 Maleevite BaB2Si2O8
3.620(24.57) 100 3.120(28.59) 100 2.630(34.06) 100 Garavellite FeSbBiS4
3.620(24.57) 100 2.786(32.10) 90 3.510(25.35) 90 Pekovite SrB2Si2O8
3.620(24.57) 100 3.150(28.31) 50 3.320(26.83) 50 Giessenite Pb13(Cu,Ag)(Bi,Sb)9S28 (?)
3.620(24.57) 100 2.021(44.81) 70 3.390(26.27) 60 Maleevite BaB2Si2O8
3.620(24.57) 100 2.570(34.88) 70 1.749(52.26) 60 Corderoite Hg3S2Cl2
3.620(24.57) 100 2.680(33.41) 55 1.850(49.21) 45 Chromatite CaCrO4
3.621(24.56) 100 4.436(2-) 70 3.069(29.07) 50 Waterhouseite Mn7(PO4)2(OH)8
3.623(24.55) 100 7.883(11.22) 97 2.938(30.40) 57 Plumbophyllite Pb2Si4O10•H2O
3.623(24.55) 100 6.443(13.73) 50 2.615(34.26) 40 Dolerophanite Cu2(SO4)O
3.627(24.52) 100 1.911(47.54) 90 3.100(28.77) 80 Freudenbergite Na2Fe+++2Ti6O16
3.630(24.50) 100 2.100(43.04) 80 6.300(14.05) 80 Sodalite Na8Al6Si6O24Cl2
3.630(24.50) 100 2.836(31.52) 93 3.136(28.44) 92 Paarite Cu1.7Pb1.7Bi6.3S12
3.630(24.50) 100 3.200(27.86) 100 2.590(34.60) 80 Magbasite KBa(Al,Sc)(Mg,Fe++)6Si6O20F2
3.630(24.50) 100 10.920(8.09) 100 5.460(16.22) 80 Priceite Ca2B5O7(OH)5•H2O
3.630(24.50) 100 6.300(14.05) 80 2.100(43.04) 80 Sodalite Na8Al6Si6O24Cl2
3.631(24.50) 100 2.836(31.52) 94 3.136(28.44) 93 Salzburgite Cu1.6Pb1.6Bi6.4S12
3.642(24.42) 100 6.960(12.71) 40 4.489(19.76) 30 Veszelyite (Cu,Zn)2ZnPO4(OH)3•2(H2O)
3.644(24.41) 100 3.584(24.82) 100 3.161(28.21) 100 Friedrichite Pb5Cu5Bi7S18
3.650(24.37) 100 2.870(31.14) 100 3.900(22.78) 100 Sahamalite-(Ce) (Mg,Fe++)Ce2(CO3)4
3.650(24.37) 100 3.120(28.59) 80 14.700(6.01) 70 Plumbotsumite Pb5Si4O8(OH)10
3.650(24.37) 100 5.930(14.93) 100 2.968(30.08) 80 Whewellite Ca(C2O4)•(H2O)
3.655(24.33) 100 3.481(25.57) 80 2.675(33.47) 62 Mallestigite Pb3Sb+++++(SO4)(AsO4)(OH)6•3(H2O)
3.656(24.33) 100 2.852(31.34) 95 3.567(24.94) 81 Emilite Cu2.68Pb2.68Bi5.32S12
3.656(24.33) 100 2.739(32.67) 60 4.850(18.28) 40 Dreyerite BiVO4
3.660(24.30) 100 4.460(19.89) 82 6.330(13.98) 60 Tsaregorodtsevite N(CH3)4AlSi5O12
3.660(24.30) 100 3.540(25.14) 100 4.000(22.21) 90 Nuffieldite Pb2Cu(Pb,Bi)Bi2S7
3.660(24.30) 100 4.110(21.60) 90 8.260(10.70) 70 Prewittite KPb1.5ZnCu6O2(SeO3)2Cl10
3.660(24.30) 100 3.080(28.97) 81 8.320(10.62) 71 Protoanthophyllite (Mg,Fe)7Si8O22(OH)2
3.660(24.30) 100 3.900(22.78) 100 2.250(40.04) 90 Ice H2O
3.660(24.30) 100 2.640(33.93) 40 1.830(49.79) 35 Salesite Cu(IO3)(OH)
3.670(24.23) 100 2.675(33.47) 80 1.566(58.93) 80 Sodium meta-autunite Na2(UO2)2(PO4)2•6-8(H2O)
3.670(24.23) 100 2.675(33.47) 80 1.566(58.93) 80 Sodium-autunite Na2(UO2)2(PO4)2•8(H2O)
3.670(24.23) 100 3.030(29.45) 90 2.780(32.17) 90 Hurlbutite CaBe2(PO4)2
3.670(24.23) 100 3.017(29.58) 72 3.022(29.53) 72 Angelaite Cu2AgPbBiS4
3.670(24.23) 100 3.280(27.16) 100 4.800(18.47) 100 Davyne Na4K2Ca2Si6Al6O24(SO4)Cl2
3.670(24.23) 100 2.780(32.17) 90 3.030(29.45) 90 Hurlbutite CaBe2(PO4)2
3.670(24.23) 100 2.740(32.65) 51 4.840(18.31) 27 Wakefieldite-(Nd) NdVO4
3.670(24.23) 100 2.630(34.06) 90 2.860(31.25) 85 Kalicinite KHCO3
3.670(24.23) 100 3.040(29.36) 100 2.458(36.53) 75 Peprossiite-(Ce) (Ce,La)(Al3O)2/3B4O10
3.670(24.23) 100 1.566(58.93) 80 2.675(33.47) 80 Sodium-autunite Na2(UO2)2(PO4)2•8(H2O)
3.670(24.23) 100 2.888(30.94) 67 6.146(14.40) 43 Aheylite (Fe++,Zn)Al6(PO4)4(OH)8•4(H2O)
3.670(24.23) 100 1.566(58.93) 80 2.675(33.47) 80 Sodium meta-autunite Na2(UO2)2(PO4)2•6-8(H2O)
3.670(24.23) 100 3.022(29.53) 72 3.017(29.58) 72 Angelaite Cu2AgPbBiS4
3.676(24.19) 100 4.326(20.51) 100 2.074(43.60) 60 Gysinite-(Nd) Pb(Nd,La)(CO3)2(OH)•(H2O)
3.678(24.18) 100 2.766(32.34) 90 1.891(48.08) 70 Wakefieldite-(Ce) (Ce+++,Pb++,Pb++++)VO4
3.680(24.16) 100 2.630(34.06) 100 3.800(23.39) 90 Loseyite (Mn,Zn)7(CO3)2(OH)10
3.680(24.16) 100 8.710(10.15) 100 3.480(25.58) 80 Metatorbernite Cu(UO2)2(PO4)2•8(H2O)
3.680(24.16) 100 2.630(34.06) 80 4.370(20.30) 60 Berthierite FeSb2S4
3.680(24.16) 100 2.890(30.92) 80 6.700(13.20) 70 Faustite (Zn,Cu)Al6(PO4)4(OH)8•4(H2O)
3.680(24.16) 100 2.910(30.70) 80 6.170(14.34) 70 Turquoise CuAl6(PO4)4(OH)8•4(H2O)
3.680(24.16) 100 8.050(10.98) 90 6.680(13.24) 70 Metasideronatrite Na2Fe+++(SO4)2(OH)•(H2O)
3.681(24.16) 100 2.921(30.58) 100 2.403(37.39) 90 Eyselite Fe+++Ge++++3O7(OH)
3.682(24.15) 100 3.099(28.78) 90 5.350(16.56) 90 Schmitterite (UO2)TeO3
3.682(24.15) 100 5.350(16.56) 90 3.099(28.78) 90 Schmitterite (UO2)TeO3
3.685(24.13) 100 1.426(65.39) 95 1.555(59.39) 80 Phosphoellenbergerite Mg14(PO4)6(PO3OH,CO3)2(OH)6
3.685(24.13) 100 3.170(28.13) 95 1.426(65.39) 80 Phosphoellenbergerite Mg14(PO4)6(PO3OH,CO3)2(OH)6
3.686(24.12) 100 3.609(24.65) 49 2.669(33.55) 42 Challacolloite KPb2Cl5
3.688(24.11) 100 3.298(27.01) 100 4.820(18.39) 80 Afghanite (Na,Ca,K)8(Si,Al)12O24(SO4,Cl,CO3)3•(H2O)
3.690(24.10) 100 2.676(33.46) 100 7.381(11.98) 100 Srebrodolskite Ca2Fe+++2O5
3.690(24.10) 100 8.300(10.65) 90 2.921(30.58) 90 Godovikovite (NH4)(Al,Fe+++)(SO4)2
3.690(24.10) 100 3.290(27.08) 100 4.810(18.43) 100 Microsommite (Na,Ca,K)7-8(Si,Al)12O24(Cl,SO4)2-3
3.690(24.10) 100 2.921(30.58) 90 8.300(10.65) 90 Godovikovite (NH4)(Al,Fe+++)(SO4)2
3.691(24.09) 100 2.639(33.94) 73 3.587(24.80) 70 IMA2008-006 [Na82.5Ca33K16.5](Si99Al99O396)(SO4)33•4H2O
3.694(24.07) 100 2.960(30.17) 100 2.753(32.50) 100 Chladniite Na2Ca(Mg,Fe++)7(PO4)6
3.696(24.06) 100 3.971(22.37) 83 2.109(42.84) 45 Hephaistosite TlPb2Cl5
3.698(24.05) 100 2.838(31.50) 99 2.994(29.82) 96 Paradamite Zn2(AsO4)(OH)
3.700(24.03) 100 4.210(21.08) 80 4.090(21.71) 60 Cyanochroite K2Cu(SO4)2•6(H2O)
3.700(24.03) 100 6.040(14.65) 80 5.080(17.44) 80 Kolwezite (Cu,Co)2(CO3)(OH)2
3.700(24.03) 100 5.080(17.44) 80 6.040(14.65) 80 Kolwezite (Cu,Co)2(CO3)(OH)2
3.706(23.99) 100 4.064(21.85) 95 4.156(21.36) 85 Picromerite K2Mg(SO4)2•6(H2O)
3.707(23.99) 100 2.623(34.15) 70 2.088(43.30) 50 Wakefieldite-(La) LaVO4
3.707(23.99) 100 2.088(43.30) 70 2.309(38.97) 50 Wakefieldite-(La) LaVO4

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