Cobalt-Based Single-Ion Magnets on an Apatite Lattice: Toward Patterned Arrays for Magnetic Memories.
Kazin, Pavel E.; Zykin, Mikhail A.; Schnelle, Walter; Zubavichus, Yan V.; Babeshkin, Konstantin A.; Tafeenko, Victor A.; Felser, Claudia; Jansen, Martin; Inorganic chemistry 56 (2017) 1232–1240; doi:10.1021/acs.inorgchem.6b02348

data_4345404
_publ_section_title
;
 Cobalt-Based Single-Ion Magnets on an Apatite Lattice: Toward Patterned
 Arrays for Magnetic Memories.
;
_journal_issue                   3
_journal_name_full               'Inorganic chemistry'
_journal_page_first              1232
_journal_page_last               1240
_journal_paper_doi               10.1021/acs.inorgchem.6b02348
_journal_volume                  56
_journal_year                    2017
_chemical_formula_moiety         '0.030(Co6), 3(O4 P), 0.23(O4), 5(Sr)'
_chemical_formula_structural     Sr10(PO4)6(Co0.18O0.92H(0.48-delta))2
_chemical_formula_sum            'Co0.18 O12.92 P3 Sr5'
_chemical_formula_weight         748.3
_chemical_name_systematic        ' ?'
_space_group_IT_number           176
_symmetry_cell_setting           hexagonal
_symmetry_Int_Tables_number      176
_symmetry_space_group_name_Hall  '-P 6c'
_symmetry_space_group_name_H-M   'P 63/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   9.7563(3)
_cell_length_b                   9.7563(3)
_cell_length_c                   7.3053(2)
_cell_measurement_reflns_used    12453
_cell_measurement_temperature    293
_cell_measurement_theta_max      72.6
_cell_measurement_theta_min      5.23
_cell_volume                     602.20(3)
_computing_cell_refinement       'STOE X-AREA'
_computing_data_collection       'STOE X-AREA (Stoe & Cie, 2012)'
_computing_data_reduction        'STOE X-RED32 (Stoe & Cie, 2012)'
_computing_structure_refinement  Jana2006
_computing_structure_solution    Jana2006
_diffrn_ambient_temperature      293(2)
_diffrn_detector                 Pilatus100K
_diffrn_measured_fraction_theta_full 0.99
_diffrn_measured_fraction_theta_max 0.99
_diffrn_measurement_device_type  'Stoe STADI VARI'
_diffrn_measurement_method       'rotation method'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54186
_diffrn_reflns_av_R_equivalents  0.1153
_diffrn_reflns_av_sigmaI/netI    0.0056
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       8
_diffrn_reflns_limit_l_min       -5
_diffrn_reflns_number            2935
_diffrn_reflns_theta_full        72.56
_diffrn_reflns_theta_max         72.56
_diffrn_reflns_theta_min         5.23
_diffrn_source                   'Cu GeniX 3D'
_diffrn_source_current           0.600
_diffrn_source_power             0.030
_diffrn_source_voltage           50
_diffrn_standards_decay_%        none
_diffrn_standards_interval_count none
_diffrn_standards_interval_time  none
_diffrn_standards_number         none
_exptl_absorpt_coefficient_mu    34.351
_exptl_absorpt_correction_T_max  0.1332
_exptl_absorpt_correction_T_min  0.0451
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
[c.f. r.h. blessing, acta cryst. (1995), a51, 33-38]
;
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    4.1295
_exptl_crystal_description       'hexagonal prism'
_exptl_crystal_F_000             685.9
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.09
_exptl_crystal_size_min          0.06
_refine_diff_density_max         1.24
_refine_diff_density_min         -1.57
_refine_ls_extinction_coef       0.110(11)
_refine_ls_extinction_method
'B-C type 1 Gaussian isotropic (Becker & Coppens, 1974)'
_refine_ls_goodness_of_fit_gt    2.77
_refine_ls_goodness_of_fit_ref   2.76
_refine_ls_number_constraints    0
_refine_ls_number_parameters     47
_refine_ls_number_reflns         429
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0461
_refine_ls_R_factor_gt           0.0447
_refine_ls_shift/su_max          0.0302
_refine_ls_shift/su_mean         0.0120
_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          0.0619
_refine_ls_wR_factor_ref         0.0628
_reflns_number_gt                416
_reflns_number_total             429
_reflns_threshold_expression     I>3\s(I)
_cod_data_source_file            ic6b02348_si_002.cif
_cod_data_source_block           I
_cod_database_code               4345404