Synthesis and crystal structure of Na~4~Ni~7~(AsO~4~)~6~
David, Rénald; Acta Crystallographica Section E 72 (2016) 632–634; doi:10.1107/S2056989016005417

data_2241638
_publ_section_title
;
 Synthesis and crystal structure of Na~4~Ni~7~(AsO~4~)~6~
;
_journal_coeditor_code           VN2109
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              632
_journal_page_last               634
_journal_paper_doi               10.1107/S2056989016005417
_journal_volume                  72
_journal_year                    2016
_chemical_formula_iupac          'Na4 Ni7 (As O4)6'
_chemical_formula_sum            'As6 Na4 Ni7 O24'
_chemical_formula_weight         1336.3
_chemical_name_systematic
;
Tetrasodium heptanickel hexaarsenate
;
_space_group_IT_number           12
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 118.299(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.5383(11)
_cell_length_b                   14.5047(11)
_cell_length_c                   10.6120(8)
_cell_measurement_reflns_used    38754
_cell_measurement_temperature    293
_cell_measurement_theta_max      33.28
_cell_measurement_theta_min      2.12
_cell_volume                     1970.3(3)
_computing_cell_refinement
;
SAINT (Bruker, 2015)
;
_computing_data_collection
;
APEX3 (Bruker, 2015)
;
_computing_data_reduction
;
SAINT (Bruker, 2015)
;
_computing_molecular_graphics
;
DIAMOND (Brandenburg, 2006)
;
_computing_publication_material
;
publCIF (Westrip, 2010)
;
_computing_structure_refinement
;
JANA2006 (Pet\<r\'i\<ccek <i>et al.</i>,  2014
;
_computing_structure_solution
;
SUPERFLIP (Palatinus & Chapuis, 2007)
;
_diffrn_ambient_temperature      293
_diffrn_measured_fraction_theta_full 0.98
_diffrn_measured_fraction_theta_max 0.96
_diffrn_measurement_device_type  'Bruker D8 Venture'
_diffrn_measurement_method       'phi scan'
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0361
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            48075
_diffrn_reflns_theta_full        32.91
_diffrn_reflns_theta_max         33.27
_diffrn_reflns_theta_min         2.12
_exptl_absorpt_coefficient_mu    16.759
_exptl_absorpt_correction_T_max  0.7466
_exptl_absorpt_correction_T_min  0.6403
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(<i>SADABS</i>; Bruker, 2015)
;
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    4.5047
_exptl_crystal_description       irregular
_exptl_crystal_F_000             2520
_exptl_crystal_size_max          0.07
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.04
_refine_diff_density_max         3.34
_refine_diff_density_min         -2.22
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   2.73
_refine_ls_number_constraints    0
_refine_ls_number_parameters     146
_refine_ls_number_reflns         3773
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0592
_refine_ls_R_factor_gt           0.0391
_refine_ls_shift/su_max          0.0148
_refine_ls_shift/su_mean         0.0024
_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          0.0509
_refine_ls_wR_factor_ref         0.0518
_reflns_number_gt                2901
_reflns_number_total             3773
_reflns_threshold_expression     I>3\s(I)
_cod_data_source_file            vn2109sup1.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'C 2/m'
_cod_database_code               2241638
_cod_database_fobs_code 2241638