MariciteThe Canadian Mineralogist151977518521The crystal structure of the new mineral maricite, NaFePO4|Le Page Y|Donnay G|inorganic6.8618.9875.04590.090.090.01.0 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 1.0-1.0 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 1.01.0 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 1.01.0 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 1.0-1.0 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 1.01.0 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 1.0-1.0 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 1.0-1.0 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 1.0NaFePO1O2O3O3PO3O1O1PNaO2O3O3O3PO2O3O2O3FeFeNaNaFeO1FeFeFeFeFeFeFeFeFeFeFe_chemical_formula_weight is missing Chemical formula mass (Da). The following tests will not be performed. CHEMW_01,CHEMW_02,CHEMW_03,DENSD_01_symmetry_cell_setting is missing The cell setting should be one of the following * triclinic * monoclinic * orthorhombic * tetragonal * rhombohedral * trigonal * hexagonal * cubic The following tests will not be performed. SYMMS_01,SYMMS_02_cell_formula_units_Z is missing Number of formulae per unit cell. The following tests will not be performed. ABSMU_01,CELLZ_01,DENSD_01_exptl_crystal_density_diffrn is missing Density calculated from unit cell and contents (Mg m-3). The following tests will not be performed. DENSD_01,DENSX_01_diffrn_radiation_type is missing The radiation type should contain one of the following * 'Cu K\a' * 'Mo K\a' * 'Ag K\a' * neutron * synchrotron The following tests will not be performed. ABSMU_01,ABSTM_02,CRYSS_01,RADNW_01_diffrn_radiation_wavelength is missing Radiation wavelength (A). The following tests will not be performed. RADNW_01,REFLT_03,REFNR_01,THETM_01_cell_measurement_reflns_used is missing Number of reflections used to measure unit cell._cell_measurement_theta_min is missing Minimum theta of reflections used to measure unit cell. The following tests will not be performed. CELLT_01_cell_measurement_theta_max is missing Maximum theta of reflections used to measure unit cell. The following tests will not be performed. CELLT_01_cell_measurement_temperature is missing Measurement temperature (K). The following tests will not be performed. CELLK_01_exptl_absorpt_coefficient_mu is missing Linear absorption coefficient (mm-1). The following tests will not be performed. ABSMU_01,ABSTM_02_exptl_crystal_description is missing Crystal habit description. The following tests will not be performed. CRYSR_01No crystal dimensions have been given. The following tests will not be performed. CRYSS_01,CRYSS_02The magnitudes of the crystal dimensions do not match the min, mid and max definitions_exptl_crystal_colour (_pd_char_colour for powder) is missing Crystal colour. The following tests will not be performed. CRYSC_01_diffrn_measurement_device_type is missing Diffractometer make and type. Replaces _diffrn_measurement_type._diffrn_measurement_method is missing Mode of intensity measurement and scan._diffrn_reflns_number is missing Total number of reflections measured. The following tests will not be performed. REFLG_01,REFLT_01_reflns_number_total is missing Number of symmetry-independent reflections. The following tests will not be performed. REFLT_01,REFLT_02,REFLT_03,REFNR_01_reflns_number_gt is missing Number of reflections > sigma threshold. The following tests will not be performed. REFLG_01,REFLT_02_reflns_threshold_expression is missing Sigma expression for F, F2 or I threshold. The following tests will not be performed. REFLE_01_diffrn_reflns_theta_max is missing Maximum theta of measured reflections. The following tests will not be performed REFLT_03,REFNR_01,THETM_01_diffrn_reflns_limit_h_min is missing Minimum h index of measured data. The following tests will not be performed REFLL_01_diffrn_reflns_limit_h_max is missing Maximum h index of measured data. The following tests will not be performed REFLL_01_diffrn_reflns_limit_k_min is missing Minimum k index of measured data. The following tests will not be performed REFLL_01_diffrn_reflns_limit_k_max is missing Maximum k index of measured data. The following tests will not be performed REFLL_01_diffrn_reflns_limit_l_min is missing Minimum l index of measured data. The following tests will not be performed REFLL_01_diffrn_reflns_limit_l_max is missing Maximum l index of measured data. The following tests will not be performed REFLL_01_diffrn_standards_number is missing Number of standards used in measurement._diffrn_standards_interval_count and _diffrn_standards_interval_time are missing. Number of measurements between standards or time (min) between standards._diffrn_standards_decay_% is missing Percentage decrease in standards intensity._refine_ls_structure_factor_coef is missing The structure factor coefficient should be one of the following * Inet * Fsqd * F The following tests will not be performed FCOEF_01_refine_ls_R_factor_gt is missing R factor of F for reflections > threshold. The following tests will not be performed RFACG_01_refine_ls_wR_factor_ref is missing R factor of coefficient for refinement reflections. The following tests will not be performed RFACR_01_refine_ls_goodness_of_fit_ref is missing Goodness of fit S for refinement reflections. The following tests will not be performed GOODF_01_refine_ls_number_reflns is missing Number of reflections used in refinement. The following test will not be performed REFNR_01_refine_ls_number_parameters is missing Number of parameters refined. The following tests will not be performed REFNR_01_refine_ls_weighting_scheme is missing The weighting scheme should be one of the following * sigma * calc The following tests will not be performed WEIGH_01_refine_ls_shift/su_max is missing Maximum shift/s.u. ratio after final refinement cycle. The following tests will not be performed SHFSU_01_refine_diff_density_max is missing Maximum value of final difference map (e A-3). The following tests will not be performed DIFMN_01,DIFMX_01,DIFMX_02_refine_diff_density_min is missing Minimum value of final difference map (e A-3). The following tests will not be performed DIFMN_01,DIFMN_02,DIFMN_03_atom_site_U_iso_or_equiv is missing Isotropic atomic displacement paramter, or equivalent from anisotropic atomic displacement parameters._atom_site_aniso_label is missing Unique label identifying the atom site._geom_bond_atom_site_label_1 is missing Label identifying the atom site 1._geom_bond_distance is missing Distance between atom sites 1 and 2._geom_angle_atom_site_label_2 is missing Label identifying the atom site 2.The absorption correction should be one of the following * none * analytical * integration * numerical * gaussian * empirical * psi-scan * multi-scan * refdelf * sphere * cylinderHmin..Lmax Data Incomplete or Missing .......... ?_diffrn_reflns_theta_full (too) Low ............ 0.00 Deg._diffrn_measured_fraction_theta_full Low ....... 0.00Check Reported Molecular Weight ................ 0.00Calculated and Reported Dx Differ .............. ?Absorption Coefficient mu Missing .............. ?No Maximum Shift/Error Given ................... ?Unsatisfactory S Value (Too Low or Not Given) .. 0.00Missing _cell_measurement_temperature .......... ?The sum formula contains an invalid character. WARNING - The character ( is not allowed in the _chemical_formula_suThe sum formula contains an invalid character. WARNING - The character ) is not allowed in the _chemical_formula_suThe sum formula contains elements in the wrong order. Na precedes Fe Sequence must be C, H, then alphabetical.The sum formula contains elements in the wrong order. Mn precedes Mg Sequence must be C, H, then alphabetical.The sum formula contains elements in the wrong order. Mg precedes Ca Sequence must be C, H, then alphabetical.The sum formula contains elements in the wrong order. P precedes O Sequence must be C, H, then alphabetical.An _exptl_absorpt_correction_type has been given without a literature citation. This should be contained in the _exptl_absorpt_process_details field. Absorption correction given as Not GivenCalc. and Rep. SumFormula Strings Differ .... ?Calculated and Reported Z Differ by ............ 0.00 RatioUnitcell contains non-integer number of atoms .. ?No _symmetry_space_group_name_Hall Given ....... ?Non-standard setting of Space group Pnma .... Pmnbsu on a - Axis Small or Missing (x 100000) ..... 0 Ang.su on b - Axis Small or Missing (x 100000) ..... 0 Ang.su on c - Axis Small or Missing (x 100000) ..... 0 Ang.No su (esd) Given on Volume .................... ?Missing or Zero su (esd) on x-coordinate for ... O3Missing or Zero su (esd) on y-coordinate for ... O3Missing or Zero su (esd) on z-coordinate for ... O3Isotropic non-H Atoms in Anion/Solvent ......... 1Main Residue Disorder ......................... 18.00 Perc.= 0.0000 A311.07311PmnbP m n b-P 2bc 2a?Ca0.04 Fe3.60 Mg0.12 Mn0.24 O16 P4, 4(Na)?Ca0.04 Fe3.60 Mg0.12 Mn0.24 Na4 O16 P4NA (FE.9 MN.06 MG.03 CA.01) P O4690.610.003.6870.000105.1380.000333.80.0335.85http://dynhost1.iucr.org/tmp/082207233424/platon_9004121te.gif