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    Pattern 1272 Anatase

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    Nifia Lutfianica
    This document provides information on the mineral Anatase, including its name, empirical and chemical formulas, crystallographic parameters such as space group and unit cell dimensions, calculated density, quality classification, sample source, and peak list from an X-ray diffraction pattern. Anatase is a titanium oxide with the chemical formula TiO2 that crystallizes in the tetragonal system and has properties including being colorless and converting to the rutile polymorph above 700°C.

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    Pattern 1272 Anatase

    Uploaded by

    Nifia Lutfianica
    566 views6 pages
    This document provides information on the mineral Anatase, including its name, empirical and chemical formulas, crystallographic parameters such as space group and unit cell dimensions, calculated density, quality classification, sample source, and peak list from an X-ray diffraction pattern. Anatase is a titanium oxide with the chemical formula TiO2 that crystallizes in the tetragonal system and has properties including being colorless and converting to the rutile polymorph above 700°C.

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    pattern 1272 anatase

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    This document provides information on the mineral Anatase, including its name, empirical and chemical formulas, crystallographic parameters such as space group and unit cell dimensions, calculated density, quality classification, sample source, and peak list from an X-ray diffraction pattern. Anatase is a titanium oxide with the chemical formula TiO2 that crystallizes in the tetragonal system and has properties including being colorless and converting to the rutile polymorph above 700°C.

    Copyright:

    © All Rights Reserved
    Download as DOCX, PDF, TXT or read online from Scribd
    Download as docx, pdf, or txt
    566 views6 pages

    Pattern 1272 Anatase

    Uploaded by

    Nifia Lutfianica
    This document provides information on the mineral Anatase, including its name, empirical and chemical formulas, crystallographic parameters such as space group and unit cell dimensions, calculated density, quality classification, sample source, and peak list from an X-ray diffraction pattern. Anatase is a titanium oxide with the chemical formula TiO2 that crystallizes in the tetragonal system and has properties including being colorless and converting to the rutile polymorph above 700°C.

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    © All Rights Reserved
    Download as DOCX, PDF, TXT or read online from Scribd
    Download as docx, pdf, or txt
    of 6

    Name and formula

    Reference code: 00-021-1272

    Mineral name: Anatase, syn


    PDF index name: Titanium Oxide

    Empirical formula: O2Ti


    Chemical formula: TiO2

    Crystallographic parameters
    Crystal system: Tetragonal
    Space group: I41/amd
    Space group number: 141

    a (Å): 3.7852
    b (Å): 3.7852
    c (Å): 9.5139
    Alpha (°): 90.0000
    Beta (°): 90.0000
    Gamma (°): 90.0000

    Calculated density (g/cm^3): 3.89


    Volume of cell (10^6 pm^3): 136.31
    Z: 4.00

    RIR: 3.30

    Subfiles and Quality


    Subfiles: Inorganic
    Mineral
    Alloy, metal or intermetalic
    Corrosion
    Common Phase
    Educational pattern
    Forensic
    NBS pattern
    Pigment/Dye
    Quality: Star (S)

    Comments
    Color: Colorless
    General comments: Anatase and another polymorph, brookite (orthorhombic), are converted to
    rutile (tetragonal) by heating above 700 C.
    Pattern reviewed by Holzer, J., McCarthy, G., North Dakota State Univ, Fargo,
    North Dakota, USA, ICDD Grant-in-Aid (1990). Agrees well with
    experimental and calculated patterns.
    Sample source: Sample obtained from National Lead Co., South Amboy, New Jersey, USA.
    Additional pattern: Validated by calculated pattern.
    See ICSD 9852 (PDF 71-1166).
    Temperature: Pattern taken at 25 C.

    References
    Primary reference: Natl. Bur. Stand. (U.S.) Monogr. 25, 7, 82, (1969)

    Peak list
    No. h k l d [A] 2Theta[deg] I [%]
    1 1 0 1 3.52000 25.281 100.0
    2 1 0 3 2.43100 36.947 10.0
    3 0 0 4 2.37800 37.801 20.0
    4 1 1 2 2.33200 38.576 10.0
    5 2 0 0 1.89200 48.050 35.0
    6 1 0 5 1.69990 53.891 20.0
    7 2 1 1 1.66650 55.062 20.0
    8 2 1 3 1.49300 62.121 4.0
    9 2 0 4 1.48080 62.690 14.0
    10 1 1 6 1.36410 68.762 6.0
    11 2 2 0 1.33780 70.311 6.0
    12 1 0 7 1.27950 74.031 2.0
    13 2 1 5 1.26490 75.032 10.0
    14 3 0 1 1.25090 76.020 4.0
    15 0 0 8 1.18940 80.727 2.0
    16 3 0 3 1.17250 82.139 2.0
    17 2 2 4 1.16640 82.662 6.0
    18 3 1 2 1.16080 83.149 4.0
    19 2 1 7 1.06000 93.221 2.0
    20 3 0 5 1.05170 94.182 4.0
    21 3 2 1 1.04360 95.143 4.0
    22 1 0 9 1.01820 98.319 2.0
    23 2 0 8 1.00700 99.804 2.0
    24 3 2 3 0.99670 101.221 2.0
    25 3 1 6 0.95550 107.448 4.0
    26 4 0 0 0.94640 108.963 4.0
    27 3 0 7 0.92460 112.841 2.0
    28 3 2 5 0.91920 113.861 2.0
    29 4 1 1 0.91380 114.909 2.0
    30 2 1 9 0.89660 118.439 4.0
    31 2 2 8 0.88900 120.104 2.0
    32 4 1 3 0.88190 121.725 2.0
    33 4 0 4 0.87930 122.336 2.0
    34 4 2 0 0.84640 131.036 2.0
    35 3 2 7 0.83080 135.998 2.0
    36 4 1 5 0.82680 137.391 4.0
    37 3 0 9 0.81020 143.888 2.0
    38 4 2 4 0.79740 150.039 4.0
    39 0 0 12 0.79280 152.634 2.0

    Stick Pattern
    Name and formula
    Reference code: 01-071-1168

    Mineral name: Anatase


    ICSD name: Titanium Oxide

    Empirical formula: O2Ti


    Chemical formula: TiO2

    Crystallographic parameters
    Crystal system: Tetragonal
    Space group: I41/amd
    Space group number: 141

    a (Å): 3.7971
    b (Å): 3.7971
    c (Å): 9.5790
    Alpha (°): 90.0000
    Beta (°): 90.0000
    Gamma (°): 90.0000

    Calculated density (g/cm^3): 3.84


    Volume of cell (10^6 pm^3): 138.11
    Z: 4.00

    RIR: 4.86

    Status, subfiles and quality


    Status: Diffraction data collected at non ambient temperature
    Subfiles: Inorganic
    Mineral
    Alloy, metal or intermetalic
    Corrosion
    Pharmaceutical
    ICSD Pattern
    Quality: Calculated (C)

    Comments
    Sample source: Specimen from Binntal, Wallis, Switzerland.
    ICSD collection code: 009854

    References
    Primary reference: Calculated from ICSD using POWD-12++, (1997)
    Structure: Horn, M., Schwerdtfeger, C.F., Meagher, E.P., Z. Kristallogr., Kristallgeom.,
    Kristallphys., Kristallchem., 136, 273, (1972)
    Peak list
    No. h k l d [A] 2Theta[deg] I [%]
    1 1 0 1 3.52989 25.209 100.0
    2 1 0 3 2.44381 36.746 6.0
    3 0 0 4 2.39475 37.527 18.0
    4 1 1 2 2.34205 38.404 7.0
    5 2 0 0 1.89855 47.874 22.4
    6 1 0 5 1.71042 53.533 13.9
    7 2 1 1 1.67204 54.864 13.5
    8 2 1 3 1.49927 61.832 2.3
    9 2 0 4 1.48773 62.365 9.7
    10 1 1 6 1.37224 68.298 4.2
    11 2 2 0 1.34248 70.030 4.3
    12 1 0 7 1.28738 73.503 0.4
    13 2 1 5 1.27077 74.626 6.4
    14 3 0 1 1.25479 75.742 1.7
    15 0 0 8 1.19737 80.081 0.3
    16 3 0 3 1.17663 81.789 0.5
    17 2 2 4 1.17102 82.265 3.0
    18 3 1 2 1.16470 82.809 1.4

    Stick Pattern

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