Syntheses and Magnetic Properties Study of Isostructural BiM2BP2O10 (M = Co, Ni) Containing a Quasi-1D Linear Chain Structure
Wei-Long Zhang; Zhang-Zhen He; Tian-Long Xia; Zhong-Zhen Luo; Hao Zhang; Chen-Sheng Lin; Wen-Dan Cheng; Inorganic Chemistry 51 (2012) 8842–8847; doi:10.1021/ic300758t

data_4330034
_publ_section_title
;
 Syntheses and Magnetic Properties Study of Isostructural BiM2BP2O10 (M =
 Co, Ni) Containing a Quasi-1D Linear Chain Structure
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              8842
_journal_page_last               8847
_journal_paper_doi               10.1021/ic300758t
_journal_volume                  51
_journal_year                    2012
_chemical_formula_moiety         'B Bi Ni2 O10 P2'
_chemical_formula_sum            'B Bi Ni2 O10 P2'
_chemical_formula_weight         559.11
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           11
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_atom_sites_solution_hydrogens   none
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 106.948(16)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   5.0682(13)
_cell_length_b                   11.282(3)
_cell_length_c                   6.322(2)
_cell_measurement_reflns_used    1145
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.4856
_cell_measurement_theta_min      3.3428
_cell_volume                     345.79(17)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 14.6306
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  Mercury2
_diffrn_measurement_method       CCD_Profile_fitting
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0371
_diffrn_reflns_av_sigmaI/netI    0.0330
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_h_min       -6
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       5
_diffrn_reflns_limit_l_min       -8
_diffrn_reflns_number            2661
_diffrn_reflns_theta_full        27.41
_diffrn_reflns_theta_max         27.41
_diffrn_reflns_theta_min         3.37
_diffrn_standards_decay_%        none
_diffrn_standards_number         821
_exptl_absorpt_coefficient_mu    31.286
_exptl_absorpt_correction_T_max  0.2814
_exptl_absorpt_correction_T_min  0.1641
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            'Light yellow'
_exptl_crystal_density_diffrn    5.370
_exptl_crystal_description       Prism
_exptl_crystal_F_000             508
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.06
_refine_diff_density_max         2.320
_refine_diff_density_min         -1.939
_refine_diff_density_rms         0.311
_refine_ls_extinction_coef       0.016(5)
_refine_ls_extinction_method     shelxl
_refine_ls_goodness_of_fit_ref   1.052
_refine_ls_hydrogen_treatment    none
_refine_ls_matrix_type           full
_refine_ls_number_parameters     79
_refine_ls_number_reflns         821
_refine_ls_number_restraints     18
_refine_ls_restrained_S_all      1.040
_refine_ls_R_factor_all          0.0272
_refine_ls_R_factor_gt           0.0258
_refine_ls_shift/su_max          0.009
_refine_ls_shift/su_mean         0.003
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0367P)^2^+1.2503P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0611
_refine_ls_wR_factor_ref         0.0620
_reflns_number_gt                790
_reflns_number_total             821
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic300758t_si_003_2.cif
_cod_data_source_block           compd2
_cod_database_code               4330034