Hydrothermal synthesis of single crystal CoAs2O4 and NiAs2O4 compounds and their magnetic properties
Đorđević, Tamara; Wittwer, Astrid; Jaglicic, Zvonko; Djerdj, Igor; RSC Adv.  (2015) –; doi:10.1039/C4RA16122J

data_7219509
_publ_section_title
;
 Hydrothermal synthesis of single crystal CoAs2O4 and NiAs2O4 compounds
 and their magnetic properties
;
_journal_name_full               'RSC Adv.'
_journal_paper_doi               10.1039/C4RA16122J
_journal_year                    2015
_chemical_formula_sum            'As2 Co O4'
_chemical_formula_weight         272.77
_chemical_name_systematic
;
 ?
;
_space_group_crystal_system      tetragonal
_space_group_IT_number           135
_space_group_name_Hall           '-P 4c 2ab'
_space_group_name_H-M_alt        'P 42/m b c'
_symmetry_space_group_name_Hall  '-P 4c 2ab'
_symmetry_space_group_name_H-M   'P 42/m b c'
_audit_creation_method           SHELXL-2013
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.34530(10)
_cell_length_b                   8.34530(10)
_cell_length_c                   5.62010(10)
_cell_measurement_temperature    293(2)
_cell_volume                     391.406(10)
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.998
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0418
_diffrn_reflns_av_unetI/netI     0.0260
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            11599
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         44.387
_diffrn_reflns_theta_min         3.452
_exptl_absorpt_coefficient_mu    21.032
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Bruker-Nonius, 2000'
_exptl_crystal_colour            'dark pink'
_exptl_crystal_density_diffrn    4.629
_exptl_crystal_description       'elongated prismatic'
_exptl_crystal_F_000             500
_exptl_crystal_size_max          0.170
_exptl_crystal_size_mid          0.020
_exptl_crystal_size_min          0.020
_exptl_transmission_factor_max   0.749
_exptl_transmission_factor_min   0.397
_refine_diff_density_max         1.088
_refine_diff_density_min         -1.022
_refine_diff_density_rms         0.248
_refine_ls_extinction_coef       0.0159(8)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.079
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     22
_refine_ls_number_reflns         838
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.079
_refine_ls_R_factor_all          0.0306
_refine_ls_R_factor_gt           0.0229
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0197P)^2^+0.1338P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0440
_refine_ls_wR_factor_ref         0.0455
_reflns_Friedel_coverage         0.000
_reflns_number_gt                719
_reflns_number_total             838
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c4ra16122j1.cif
_cod_data_source_block           shelxl
_cod_original_cell_volume        391.406(12)
_cod_database_code               7219509
_shelx_estimated_absorpt_t_min   0.124
_shelx_estimated_absorpt_t_max   0.678
_shelxl_version_number           2013-4
_shelx_res_checksum              67851
_shelx_hkl_checksum              20945