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_2311372
_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_coeditor_code           PK2600
_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          'Ag Al (H As O4)2'
_chemical_formula_structural     'Ag1 Al1 (H1 As1 O4)2'
_chemical_formula_sum            'Ag Al As2 H2 O8'
_chemical_formula_weight         414.71
_chemical_name_common            'silver aluminium hydrogen arsenate'
_chemical_name_systematic
'Silver(I) aluminium bis[hydrogen arsenate(V)]'
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_atom_sites_solution_hydrogens   difmap
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2016/6
_cell_angle_alpha                90
_cell_angle_beta                 108.45(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.842(2)
_cell_length_b                   9.937(2)
_cell_length_c                   8.686(2)
_cell_measurement_reflns_used    1477
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      34.972
_cell_measurement_theta_min      2.037
_cell_volume                     642.1(3)
_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 0.998
_diffrn_measured_fraction_theta_max 0.999
_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  0.0108
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            2751
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         34.937
_diffrn_reflns_theta_min         3.421
_exptl_absorpt_coefficient_mu    13.513
_exptl_absorpt_correction_T_max  0.4514
_exptl_absorpt_correction_T_min  0.2364
_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    4.290
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'pseudo-dipyramidal glassy'
_exptl_crystal_F_000             768
_exptl_crystal_size_max          0.150
_exptl_crystal_size_mid          0.080
_exptl_crystal_size_min          0.070
_refine_diff_density_max         0.549
_refine_diff_density_min         -0.598
_refine_ls_extinction_coef       0.0114(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method
;
SHELXL2016 (Sheldrick, 2015)
;
_refine_ls_goodness_of_fit_ref   1.095
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     62
_refine_ls_number_reflns         1408
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.096
_refine_ls_R_factor_all          0.0149
_refine_ls_R_factor_gt           0.0139
_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^)+(0.0180P)^2^+0.8900P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0370
_refine_ls_wR_factor_ref         0.0374
_reflns_number_gt                1354
_reflns_number_total             1408
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            pk2600sup1.cif
_cod_data_source_block           AgAlHAsO42
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2311372
_shelx_estimated_absorpt_t_min   0.236
_shelx_estimated_absorpt_t_max   0.451
_shelx_hkl_checksum              32275
_shelx_res_checksum              53091