Enhancement of the Luminescent Properties of a New Red-Emitting Phosphor, Mn2(HPO3)F2, by Zn Substitution
Joseba Orive; José L. Mesa; Rolindes Balda; Joaquín Fernández; Jesús Rodríguez Fernández; Teófilo Rojo; María I. Arriortua; Inorganic Chemistry 50 (2011) 12463–12476; doi:10.1021/ic201226t

data_4327077
_publ_contact_author
;
   'Joseba Orive'
   Dpto. de Mineralog\'ia y Petrolog\'ia
   Facultad de Ciencia y Tecnolog\'ia
   Universidad del Pa\'is Vasco/E.H.U.
   P.O. Box 644
   48080 Bilbao
   Spain
;
_publ_contact_author_email       joseba.orive@ehu.es
_publ_contact_author_fax         '34 94 6013500'
_publ_contact_author_phone       '34 94 6015984'
_publ_section_title
;
 Enhancement of the Luminescent Properties of a New Red-Emitting Phosphor,
 Mn2(HPO3)F2, by Zn Substitution
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              12463
_journal_page_last               12476
_journal_paper_doi               10.1021/ic201226t
_journal_volume                  50
_journal_year                    2011
_chemical_absolute_configuration ad
_chemical_compound_source        'synthesis as described'
_chemical_formula_moiety         'F2 H Mn2 O3 P'
_chemical_formula_sum            'F2 H Mn2 O3 P'
_chemical_formula_weight         227.86
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_conform_dict_location     ftp://ftp.iucr.org/pub/cif_core.dic
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.3
_audit_creation_date             2010-02-18T14:24:46-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.5607(8)
_cell_length_b                   10.2342(7)
_cell_length_c                   5.5156(4)
_cell_measurement_reflns_used    5067
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      29.59
_cell_measurement_theta_min      3.98
_cell_volume                     426.78(6)
_computing_cell_refinement       'STOE X-AREA (Stoe & Cie, 2002)'
_computing_data_collection       'STOE X-AREA (Stoe & Cie, 2002)'
_computing_data_reduction        'STOE X-RED (Stoe & Cie, 2002)'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector                 'image plate (34 cm diameter)'
_diffrn_detector_area_resol_mean 6.67
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_details
; detector distance = 100 mm

Reference Run
      Phi                  : 154.0
      Omega range          : 0.0 - 10.0
      Omega increment      : 10.0
      Exposure time [min]  : 2.0
      Frames               : 1
      Interval [h]         : 1.00

    Run #1
      Phi                  : 244.0
      Omega range          : 0.0 - 180.0
      Omega increment      : 1.0
      Exposure time [min]  : 2.0
      Frames               : 180

    Run #2
      Phi                  : 154.0
      Omega range          : 0.0 - 180.0
      Omega increment      : 1.0
      Exposure time [min]  : 2.0
      Frames               : 180

    Measured runs                          : 1 (out of 2)
      Measured frames                      : 289 (out of 360)
      Remeasured frames with filter        : 0
      Measured reference runs              : 18
    Statistics over all measured frames
      Mean minimum pixel intensity         : 2.4
      Mean average pixel intensity         : 11.6
      Mean maximum pixel intensity         : 4381.1
      Total number of overflow pixels      : 0
;
_diffrn_measurement_device       '2-circle goniometer'
_diffrn_measurement_device_type  'STOE IPDS 2T'
_diffrn_measurement_method       'rotation method'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0511
_diffrn_reflns_av_unetI/netI     0.0239
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       7
_diffrn_reflns_limit_l_min       -7
_diffrn_reflns_number            5888
_diffrn_reflns_theta_full        29.12
_diffrn_reflns_theta_max         29.12
_diffrn_reflns_theta_min         3.98
_diffrn_source
'sealed X-ray tube, 12 x 0.4 mm long-fine focus'
_exptl_absorpt_coefficient_mu    6.234
_exptl_absorpt_correction_T_max  0.9125
_exptl_absorpt_correction_T_min  0.5304
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details   'X-RED (Stoe & Cie, 2002)'
_exptl_crystal_colour            Colourless
_exptl_crystal_density_diffrn    3.546
_exptl_crystal_description       Tabular
_exptl_crystal_F_000             432
_exptl_crystal_size_max          0.134
_exptl_crystal_size_mid          0.072
_exptl_crystal_size_min          0.014
_refine_diff_density_max         0.355
_refine_diff_density_min         -0.612
_refine_diff_density_rms         0.107
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.927
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     43
_refine_ls_number_reflns         600
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.927
_refine_ls_R_factor_all          0.03
_refine_ls_R_factor_gt           0.0191
_refine_ls_shift/su_max          0
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0272P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0401
_refine_ls_wR_factor_ref         0.0424
_reflns_number_gt                476
_reflns_number_total             600
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic201226t_si_002.cif
_cod_data_source_block           Manganese(II)_Fluorophosphite
_cod_database_code               4327077