Crystal structure determination of a new LaPO4 phase in a multicomponent glass ceramic via 3D electron diffraction _publ_section_title_footnote
Golle-Leidreiter, P.; Durschang, B.; Kolb, U.; Sextl, G.; Ceramics International 48 (2022) 3790–; doi:10.1016/j.ceramint.2021.10.162

data_1574285
_publ_section_title
;
 Crystal structure determination of a new LaPO4 phase in a multicomponent
 glass ceramic via 3D electron diffraction _publ_section_title_footnote
;
_journal_name_full               'Ceramics International'
_journal_page_first              3790
_journal_paper_doi               10.1016/j.ceramint.2021.10.162
_journal_volume                  48
_journal_year                    2022
_chemical_absolute_configuration .
_chemical_formula_moiety         'La1 O4 P1'
_chemical_formula_sum            'La O4 P'
_chemical_formula_weight         233.9
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.00(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.784(7)
_cell_length_b                   8.2599(9)
_cell_length_c                   5.321(6)
_cell_volume                     298.2(5)
_diffrn_ambient_temperature      293
_diffrn_detector                 CCD
_diffrn_measured_fraction_theta_full 0.5
_diffrn_measured_fraction_theta_max 0.45
_diffrn_measurement_device       TEM
_diffrn_measurement_method       3DED
_diffrn_radiation_probe          electron
_diffrn_radiation_source         FEG
_diffrn_radiation_type           electron
_diffrn_radiation_wavelength     0.0197
_diffrn_reflns_av_unetI/netI     0.0683
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       6
_diffrn_reflns_limit_l_min       -6
_diffrn_reflns_number            9494
_diffrn_reflns_theta_full        0.55
_diffrn_reflns_theta_max         1.01
_diffrn_reflns_theta_min         0.14
_exptl_crystal_density_diffrn    5.2099
_exptl_crystal_F_000             416
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_gt    0.0000
_refine_ls_goodness_of_fit_ref   2.8819
_refine_ls_number_constraints    24
_refine_ls_number_parameters     142
_refine_ls_number_reflns         2734
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.2330
_refine_ls_R_factor_gt           0.1197
_refine_ls_shift/su_max          0.0092
_refine_ls_shift/su_mean         0.0030
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     w=1/(\s^2^(F)+0.0001F^2^)
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_gt          0.1288
_refine_ls_wR_factor_ref         0.1354
_reflns_number_gt                856
_reflns_number_total             2734
_reflns_threshold_expression     I>3\s(I)
_cod_data_source_file            LaPO4Paper.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_journal_paper_doi' value
'https://doi.org/10.1016/j.ceramint.2021.10.162' was changed to
'10.1016/j.ceramint.2021.10.162'.

Automatic conversion script
Id: cif_fix_values 8738 2021-04-28 16:35:53Z antanas 
;
_cod_original_sg_symbol_Hall     '-P 2yabc'
_cod_original_formula_sum        'La1 O4 P1'
_cod_database_code               1574285