Synthesis, crystal structure and physical properties of europium - manganese fluoride pnictides, EuMnPnF (Pn = P, As, Sb)
I.V. Plokhikh; D.O. Charkin; V.Yu. Verchenko; A.N. Kuznetsov; A.A. Tsirlin; S.M. Kazakov; A.V. Shevelkov; Journal of Solid State Chemistry 258 (2018) 682–690; doi:10.1016/j.jssc.2017.12.004

data_1548553
_publ_section_title
;
 Synthesis, crystal structure and physical properties of europium -
 manganese fluoride pnictides, EuMnPnF (Pn = P, As, Sb)
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              682
_journal_page_last               690
_journal_paper_doi               10.1016/j.jssc.2017.12.004
_journal_volume                  258
_journal_year                    2018
_chemical_absolute_configuration .
_chemical_formula_sum            'As Eu F Mn'
_chemical_formula_weight         300.8
_space_group_IT_number           129
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      129
_symmetry_space_group_name_Hall  'P 4ab 2ab -1ab'
_symmetry_space_group_name_H-M   'P 4/n m m :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   4.12265(7)
_cell_length_b                   4.12265(7)
_cell_length_c                   9.08462(17)
_cell_measurement_temperature    293
_cell_volume                     154.404(5)
_computing_cell_refinement       unknown
_computing_data_collection       unknown
_computing_data_reduction        unknown
_computing_molecular_graphics    unknown
_computing_structure_solution    unknown
_diffrn_ambient_temperature      293
_diffrn_measurement_device       'X-ray Powder diffraction'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_wavelength     1.5418
_exptl_absorpt_coefficient_mu    187.025
_exptl_crystal_density_diffrn    6.4703
_exptl_crystal_F_000             432
_pd_instr_location               ' ?'
_pd_meas_2theta_range_inc        0.013
_pd_meas_2theta_range_max        114.985
_pd_meas_2theta_range_min        8.008
_pd_meas_number_of_points        8230
_pd_proc_2theta_range_inc        0.013
_pd_proc_2theta_range_max        114.985
_pd_proc_2theta_range_min        8.008
_pd_proc_ls_background_function  '27 Legendre polynoms'
_pd_proc_ls_pref_orient_corr     'March & Dollase'
_pd_proc_ls_profile_function     Lorentzian
_pd_proc_ls_prof_R_factor        0.0116
_pd_proc_ls_prof_wR_expected     0.0106
_pd_proc_ls_prof_wR_factor       0.0156
_refine_diff_density_max         1.15
_refine_diff_density_min         -1.36
_refine_ls_goodness_of_fit_all   1.47
_refine_ls_number_constraints    0
_refine_ls_number_parameters     54
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0259
_refine_ls_R_factor_gt           0.0247
_refine_ls_shift/su_max          0.0486
_refine_ls_shift/su_mean         0.0072
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_all         0.0296
_refine_ls_wR_factor_gt          0.0295
_cod_data_source_file            2.cif
_cod_data_source_block           2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_diffrn_radiation_probe' value 'X-ray' changed to 'x-ray' according
to the built-in table from CIF Core dictionary named 'cif_core.dic'
version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 5376 2017-05-30 11:51:03Z andrius 
;
_cod_original_cell_volume        154.405(5)
_cod_original_sg_symbol_Hall     '-P 4a;-2a'
_cod_original_sg_symbol_H-M      'P 4/n m m'
_cod_original_formula_sum        'As1 Eu1 F1 Mn1'
_cod_database_code               1548553