<?xml version="1.0" encoding="UTF-8"?>
<cml id="c1" title="1" xmlns="http://www.xml-cml.org/schema">
  <scalar dictRef="iucr:_chemical_name" dataType="xsd:string">Maricite</scalar>
  <scalar dictRef="iucr:_journal_name_full" dataType="xsd:string">The Canadian Mineralogist</scalar>
  <scalar dictRef="iucr:_journal_volume" dataType="xsd:string">15</scalar>
  <scalar dictRef="iucr:_journal_year" dataType="xsd:string">1977</scalar>
  <scalar dictRef="iucr:_journal_page_first" dataType="xsd:string">518</scalar>
  <scalar dictRef="iucr:_journal_page_last" dataType="xsd:string">521</scalar>
  <scalar dictRef="iucr:_publ_section_title" dataType="xsd:string">The crystal structure of the new mineral maricite, NaFePO4</scalar>
  <table tableType="columnBased" dictRef="iucr:_publ_author_[]">
    <arrayList>
      <array dataType="xsd:string" dictRef="iucr:_publ_author_name" delimiter="|">|Le Page Y|Donnay G|</array>
    </arrayList>
  </table>
  <molecule>
    <crystal>
      <scalar dictRef="iucr:_cell_length_a" dataType="xsd:double" errorValue="0.0">6.861</scalar>
      <scalar dictRef="iucr:_cell_length_b" dataType="xsd:double" errorValue="0.0">8.987</scalar>
      <scalar dictRef="iucr:_cell_length_c" dataType="xsd:double" errorValue="0.0">5.045</scalar>
      <scalar dictRef="iucr:_cell_angle_alpha" dataType="xsd:double" errorValue="0.0">90.0</scalar>
      <scalar dictRef="iucr:_cell_angle_beta" dataType="xsd:double" errorValue="0.0">90.0</scalar>
      <scalar dictRef="iucr:_cell_angle_gamma" dataType="xsd:double" errorValue="0.0">90.0</scalar>
      <symmetry spaceGroup="P m n b">
        <transform3>1.0 0.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 0.0 1.0</transform3>
        <transform3>-1.0 0.0 0.0 0.5 0.0 1.0 0.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 0.0 1.0</transform3>
        <transform3>1.0 0.0 0.0 0.5 0.0 -1.0 0.0 0.0 0.0 0.0 -1.0 0.0 0.0 0.0 0.0 1.0</transform3>
        <transform3>1.0 0.0 0.0 0.5 0.0 -1.0 0.0 0.5 0.0 0.0 1.0 0.5 0.0 0.0 0.0 1.0</transform3>
        <transform3>-1.0 0.0 0.0 0.5 0.0 1.0 0.0 0.5 0.0 0.0 -1.0 0.5 0.0 0.0 0.0 1.0</transform3>
        <transform3>1.0 0.0 0.0 0.0 0.0 1.0 0.0 0.5 0.0 0.0 -1.0 0.5 0.0 0.0 0.0 1.0</transform3>
        <transform3>-1.0 0.0 0.0 0.0 0.0 -1.0 0.0 0.5 0.0 0.0 1.0 0.5 0.0 0.0 0.0 1.0</transform3>
        <transform3>-1.0 0.0 0.0 0.0 0.0 -1.0 0.0 0.0 0.0 0.0 -1.0 0.0 0.0 0.0 0.0 1.0</transform3>
      </symmetry>
    </crystal>
    <atomArray>
      <atom id="a1" elementType="Na" xFract="0.25" yFract="0.8508" zFract="0.5305" occupancy="1.0">
        <scalar dictRef="iucr:_atom_site_label" dataType="xsd:string">Na</scalar>
      </atom>
      <atom id="a2" elementType="Fe" xFract="0.0" yFract="0.0" zFract="0.0" occupancy="0.9">
        <scalar dictRef="iucr:_atom_site_label" dataType="xsd:string">Fe</scalar>
      </atom>
      <atom id="a3" elementType="Mn" xFract="0.0" yFract="0.0" zFract="0.0" occupancy="0.06">
        <scalar dictRef="iucr:_atom_site_label" dataType="xsd:string">Mn</scalar>
      </atom>
      <atom id="a4" elementType="Mg" xFract="0.0" yFract="0.0" zFract="0.0" occupancy="0.03">
        <scalar dictRef="iucr:_atom_site_label" dataType="xsd:string">Mg</scalar>
      </atom>
      <atom id="a5" elementType="Ca" xFract="0.0" yFract="0.0" zFract="0.0" occupancy="0.01">
        <scalar dictRef="iucr:_atom_site_label" dataType="xsd:string">Ca</scalar>
      </atom>
      <atom id="a6" elementType="P" xFract="0.25" yFract="0.176" zFract="0.464" occupancy="1.0">
        <scalar dictRef="iucr:_atom_site_label" dataType="xsd:string">P</scalar>
      </atom>
      <atom id="a7" elementType="O" xFract="0.25" yFract="0.1164" zFract="0.7521" occupancy="1.0">
        <scalar dictRef="iucr:_atom_site_label" dataType="xsd:string">O1</scalar>
      </atom>
      <atom id="a8" elementType="O" xFract="0.25" yFract="0.3492" zFract="0.4557" occupancy="1.0">
        <scalar dictRef="iucr:_atom_site_label" dataType="xsd:string">O2</scalar>
      </atom>
      <atom id="a9" elementType="O" xFract="0.0692" yFract="0.1213" zFract="0.3174" occupancy="1.0">
        <scalar dictRef="iucr:_atom_site_label" dataType="xsd:string">O3</scalar>
      </atom>
    </atomArray>
  </molecule>
</cml>

