Structure of MoAs~2~O~7~: corrigendum and addendum
Hums, E.; Burzlaff, H.; Rothammel, W.; Acta Crystallographica Section C 49 (1993) 641–642; doi:10.1107/S0108270192008096

data_2001930
_publ_section_title
;
 Structure of MoAs~2~O~7~: corrigendum and addendum
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              641
_journal_page_last               642
_journal_paper_doi               10.1107/S0108270192008096
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'As2 Mo O7'
_chemical_formula_weight         358
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_type_scat_source
;
International Tables for X-ray Crystallography (1974, Vol.IV)
;
_cell_angle_alpha                90
_cell_angle_beta                 100.070(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   16.140(10)
_cell_length_b                   4.550(3)
_cell_length_c                   7.788(5)
_cell_measurement_reflns_used    51
_cell_measurement_temperature    293.00(10)
_cell_measurement_theta_max      12.7
_cell_measurement_theta_min      6.5
_cell_volume                     563
_computing_structure_solution
;
SIR88 (Burla et al., 1989). All other computations performed with a
version of CRYSTAN88 (ATARI, 1989) adapted to a PC 386
;
_database_code_amcsd             0010284
_diffrn_measurement_device       'Modified PW 1100'
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_type           'Mo K\a~1~'
_diffrn_radiation_wavelength     0.70926
_diffrn_reflns_av_R_equivalents  0.031
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       5
_diffrn_reflns_limit_k_min       -5
_diffrn_reflns_limit_l_max       1
_diffrn_reflns_limit_l_min       -8
_diffrn_reflns_number            2237
_diffrn_reflns_theta_max         24.0
_diffrn_standards_decay_%        0.99-1.03
_diffrn_standards_interval_time  120
_diffrn_standards_number         4
_exptl_absorpt_coefficient_mu    13.901
_exptl_absorpt_correction_T_max  0.909
_exptl_absorpt_correction_T_min  0.546
_exptl_absorpt_correction_type   analytical
_exptl_crystal_colour            'honey coloured'
_exptl_crystal_density_diffrn    4.220
_exptl_crystal_description       Needle
_exptl_crystal_F_000             656
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.048
_exptl_crystal_size_min          0.008
_refine_diff_density_max         1.24
_refine_diff_density_min         -1.13
_refine_ls_extinction_coef       48E1(4)
_refine_ls_extinction_method     'Larson (1970)'
_refine_ls_goodness_of_fit_obs   2.0
_refine_ls_number_parameters     92
_refine_ls_number_reflns         888
_refine_ls_R_factor_obs          0.033
_refine_ls_shift/esd_max         <0.01
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/\s(F)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.021
_reflns_number_observed          888
_reflns_number_total             888
_cod_data_source_file            se1012.cif
_cod_data_source_block           se1012_structure_1_of_1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value '1/\s(F)' was changed to 'calc'.
New tag '_refine_ls_weighting_details' was created. The value of the
new tag was set to 'w = 1/\s(F)'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_formula_sum        'As2 Mo1 O7'
_cod_database_code               2001930
_amcsd_formula_title             MoAs2O7