Synthesis, Structure, and Properties of the Electron-Poor II-V Semiconductor ZnAs.
Fischer, Andreas; Eklöf, Daniel; Benson, Daryn E.; Wu, Yang; Scheidt, Ernst-Wilhelm; Scherer, Wolfgang; Häussermann, Ulrich; Inorganic chemistry 53 (2014) 8691–8699; doi:10.1021/ic501308q

data_4340531
_publ_section_title
;
 Synthesis, Structure, and Properties of the Electron-Poor II-V
 Semiconductor ZnAs.
;
_journal_issue                   16
_journal_name_full               'Inorganic chemistry'
_journal_page_first              8691
_journal_page_last               8699
_journal_paper_doi               10.1021/ic501308q
_journal_volume                  53
_journal_year                    2014
_chemical_compound_source        'see text'
_chemical_formula_moiety         'As Zn'
_chemical_formula_sum            'As Zn'
_chemical_formula_weight         140.3
_chemical_name_common            'zinc monoarsenide'
_chemical_name_systematic        ' ?'
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   5.6607(3)
_cell_length_b                   7.2774(4)
_cell_length_c                   7.5599(5)
_cell_measurement_reflns_used    7903
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      60.545
_cell_measurement_theta_min      8.360
_cell_volume                     311.43(3)
_computing_cell_refinement       'APEX2 (Bruker AXS, 2009)'
_computing_data_collection       'APEX2 (Bruker AXS, 2009)'
_computing_data_reduction        'APEX2 (Bruker AXS, 2009)'
_diffrn_ambient_temperature      100
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 66.7
_diffrn_measured_fraction_theta_full 0.98
_diffrn_measured_fraction_theta_max 0.96
_diffrn_measurement_device_type  'SMART APEX 2 CCD (Bruker)'
_diffrn_measurement_method       omega-scans
_diffrn_radiation_monochromator  'montel multilayer optic (Incoatec)'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           'Ag K\a'
_diffrn_radiation_wavelength     0.56087
_diffrn_reflns_av_R_equivalents  0.0424
_diffrn_reflns_av_unetI/netI     0.0177
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            13833
_diffrn_reflns_theta_full        30.11
_diffrn_reflns_theta_max         30.54
_diffrn_reflns_theta_min         4.18
_diffrn_source                   'MicroFocus IuS (Incoatec)'
_diffrn_source_current           60mA
_diffrn_source_voltage           50keV
_exptl_absorpt_coefficient_mu    19.009
_exptl_absorpt_correction_T_max  0.6278
_exptl_absorpt_correction_T_min  0.3649
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'SADABS-2008/1-Bruker AXS, Karlsruhe 2009'
_exptl_crystal_colour            grey
_exptl_crystal_density_diffrn    5.9827
_exptl_crystal_density_method    'Not Measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             504
_exptl_crystal_size_max          0.074
_exptl_crystal_size_mid          0.058
_exptl_crystal_size_min          0.041
_refine_diff_density_max         1.08
_refine_diff_density_min         -0.76
_refine_ls_extinction_coef       830(150)
_refine_ls_extinction_method     'B-C type 2 (Becker & Coppens, 1974)'
_refine_ls_goodness_of_fit_gt    1.43
_refine_ls_goodness_of_fit_ref   1.43
_refine_ls_number_constraints    0
_refine_ls_number_parameters     20
_refine_ls_number_reflns         874
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0152
_refine_ls_R_factor_gt           0.0152
_refine_ls_shift/su_max          0.0009
_refine_ls_shift/su_mean         0.0001
_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          0.0225
_refine_ls_wR_factor_ref         0.0225
_reflns_number_gt                874
_reflns_number_total             928
_reflns_threshold_expression     I>3\s(I)
_cod_data_source_file            ic501308q_si_002.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:

'_diffrn_radiation_probe' value 'X-ray' changed to 'x-ray' according
to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 

 Adding full bibliography for 4340531--4340532.cif.
;
_cod_original_sg_symbol_Hall     '-P 2ac 2ab '
_cod_database_code               4340531