New <i>M</i><sup>+</sup>, <i>M</i><sup>3+</sup>-arsenates - the framework structures of Ag<i>M</i><sup>3+</sup>(HAsO<sub>4</sub>)<sub>2</sub> (<i>M</i><sup>3+</sup> = Al, Ga) and <i>M</i><sup>+</sup>GaAs<sub>2</sub>O<sub>7</sub> (<i>M</i><sup>+</sup> = Na, Ag).
Schwendtner, Karolina; Kolitsch, Uwe; Acta crystallographica. Section E, Crystallographic communications 73 (2017) 785–790; doi:10.1107/S2056989017005631

data_2311375
_publ_section_title
;
 New <i>M</i><sup>+</sup>, <i>M</i><sup>3+</sup>-arsenates - the framework
 structures of Ag<i>M</i><sup>3+</sup>(HAsO<sub>4</sub>)<sub>2</sub>
 (<i>M</i><sup>3+</sup> = Al, Ga) and
 <i>M</i><sup>+</sup>GaAs<sub>2</sub>O<sub>7</sub> (<i>M</i><sup>+</sup> =
 Na, Ag).
;
_journal_issue                   'Pt 5'
_journal_name_full
'Acta crystallographica. Section E, Crystallographic communications'
_journal_page_first              785
_journal_page_last               790
_journal_paper_doi               10.1107/S2056989017005631
_journal_volume                  73
_journal_year                    2017
_chemical_formula_iupac          'Na Ga (As O7)'
_chemical_formula_moiety         'Na Ga As2 O7'
_chemical_formula_sum            'As2 Ga Na O7'
_chemical_formula_weight         354.55
_chemical_name_common            'sodium gallium diarsenate'
_chemical_name_systematic        'Sodium gallium diarsenate(V)'
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_audit_creation_method           SHELXL-2016/6
_cell_angle_alpha                90
_cell_angle_beta                 107.50(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.9870(10)
_cell_length_b                   8.266(2)
_cell_length_c                   9.677(2)
_cell_measurement_reflns_used    2065
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      30
_cell_measurement_theta_min      3
_cell_volume                     533.0(2)
_computing_cell_refinement
;
HKL SCALEPACK (Otwinowski <i>et al.</i>,  2003)
;
_computing_data_collection
;
COLLECT (Nonius, 2003)
;
_computing_data_reduction
;
HKL DENZO and SCALEPACK (Otwinowski <i>et al.</i>,  2003)
;
_computing_molecular_graphics
;
DIAMOND (Brandenburg, 2005)
;
_computing_publication_material
;
publCIF (Westrip, 2010)
;
_computing_structure_refinement
;
SHELXL2016 (Sheldrick, 2015)
;
_computing_structure_solution
;
SHELXS97 (Sheldrick, 2008)
;
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Nonius KappaCCD single-crystal four-circle'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0234
_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       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            3015
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.032
_diffrn_reflns_theta_min         3.057
_exptl_absorpt_coefficient_mu    17.548
_exptl_absorpt_correction_T_max  0.7204
_exptl_absorpt_correction_T_min  0.3730
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(HKL SCALEPACK; Otwinowski <i>et al.</i>,  2003)
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    4.418
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'small platelets with diamond-shaped outline'
_exptl_crystal_F_000             656
_exptl_crystal_size_max          0.070
_exptl_crystal_size_mid          0.070
_exptl_crystal_size_min          0.020
_refine_diff_density_max         1.543
_refine_diff_density_min         -1.494
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.037
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     100
_refine_ls_number_reflns         1557
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.037
_refine_ls_R_factor_all          0.0406
_refine_ls_R_factor_gt           0.0325
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0600P)^2^+1.1000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0854
_refine_ls_wR_factor_ref         0.0900
_reflns_number_gt                1336
_reflns_number_total             1557
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            pk2600sup1.cif
_cod_data_source_block           NaGaAs2O7
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2311375
_shelx_estimated_absorpt_t_min   0.373
_shelx_estimated_absorpt_t_max   0.720
_shelx_hkl_checksum              1973
_shelx_res_checksum              49098