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  <pdf_data>
    <pdf_number>00-055-0740</pdf_number>
    <chemical_formula>Ca3 Si O5</chemical_formula>
    <empirical_formula>Ca3 O5 Si</empirical_formula>
    <chemical_name>Calcium Silicate</chemical_name>
    <xstal_system>Monoclinic</xstal_system>
    <xtldx>3.179</xtldx>
    <pressure_temperature>Ambient</pressure_temperature>
    <status>Primary</status>
    <cell_a>18.5179(10)</cell_a>
    <cell_b>7.0330(4)</cell_b>
    <cell_c>36.694(19)</cell_c>
    <cell_beta>116.0380(40)</cell_beta>
    <z>36.00</z>
    <cell_vol>4293.85</cell_vol>
    <cell_mv>119.27</cell_mv>
    <authcovera>1.982</authcovera>
    <authaoverb>2.633</authaoverb>
    <authcoverb>5.217</authcoverb>
    <xtlvol>4293.85</xtlvol>
    <redcellvol>2146.93</redcellvol>
    <xtla>33.058</xtla>
    <xtlb>7.033</xtlb>
    <xtlc>18.518</xtlc>
    <xtlal>90.00</xtlal>
    <xtlbe>94.18</xtlbe>
    <xtlga>90.00</xtlga>
    <xtlcovera>0.560</xtlcovera>
    <xtlaoverb>4.700</xtlaoverb>
    <xtlcoverb>2.633</xtlcoverb>
    <redcell_a>7.033</redcell_a>
    <redcell_b>16.899</redcell_b>
    <redcell_c>18.518</redcell_c>
    <redcell_al>94.09</redcell_al>
    <redcell_be>90.00</redcell_be>
    <redcell_ga>102.01</redcell_ga>
    <xtlz>36.00</xtlz>
    <ss>F(30) = 230.1(0.0006, 230)</ss>
    <xtlsg>Cm (8)</xtlsg>
    <xtlmolwt>228.32</xtlmolwt>
    <quality_mark>Rietveld (R)</quality_mark>
    <lambda>1.5405</lambda>
    <patrad>CuKá1</patrad>
    <source>Calculated</source>
    <instrument>Calculated</instrument>
    <aspectn>8C</aspectn>
    <spgr_label>Space Group</spgr_label>
    <spgr>Im (8)</spgr>
    <pearson>mC324.00</pearson>
    <entry_date>03/01/2004</entry_date>
    <last_mod_date>01/12/2011</last_mod_date>
    <weight_percent>Ca52.66 O35.04 Si12.30</weight_percent>
    <atomic_percent>Ca33.33 O55.56 Si11.11</atomic_percent>
    <sg_sym_ops/>
    <atomic_coords/>
    <ani_temp_facs/>
    <subfile_indicator>Primary Pattern, Inorganic, Ceramic, Cement and Hydration Product</subfile_indicator>
    <cross_ref_pdf_numbers>00-049-0442 (Primary), 00-055-0738 (Primary), 00-055-0739 (Primary), 04-009-5560</cross_ref_pdf_numbers>
    <references>
      <reference_group>
        <type>Primary Reference</type>
        <reference>de Noirfontaine, M.-N., CNRS-CECM, Vitry-sur-Seine, France. Private Communication (2003).</reference>
      </reference_group>
      <reference_group>
        <type>Unit Cell</type>
        <reference>"Polymorphism of tricalcium silicate in portland cement: a fast visual identification of structure and superstructure." de Noirfontaine, M.-N., Dunstetter, F., Courtial, M., Gasecki, G., Signes-Frehel, M. Powder Diffr. 18, 7 (2003).</reference>
      </reference_group>
    </references>
    <database_comments>Additional Patterns: See 00-049-0442, 00-055-0738 and 00-055-0739. General Comments: Rietveld refinement.</database_comments>
    <crystal_properties>Non-centrosymmetric, Optical Activity, Pyro / Piezo (p), Piezo (2nd Harm.)</crystal_properties>
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