Sodium zinc hydroxide selenite, NaZn~2~(OH)(SeO~3~)~2~
Harrison, William T. A.; Phillips, Mark L. F.; Acta Crystallographica Section C 55 (1999) 1398–1399; doi:10.1107/S010827019900637X

data_2008881
_publ_section_title
;
 Sodium zinc hydroxide selenite, NaZn~2~(OH)(SeO~3~)~2~
;
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1398
_journal_page_last               1399
_journal_paper_doi               10.1107/S010827019900637X
_journal_volume                  55
_journal_year                    1999
_chemical_formula_moiety         ' NaZn2(OH)(SeO3)2 '
_chemical_formula_sum            'H Na O7 Se2 Zn2'
_chemical_formula_weight         424.69
_chemical_melting_point          'decomposes before melting'
_chemical_name_systematic        ?
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90.
_cell_angle_beta                 90.
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   13.3320(10)
_cell_length_b                   6.0756(5)
_cell_length_c                   8.3258(6)
_cell_measurement_reflns_used    2000
_cell_measurement_temperature    298
_cell_measurement_theta_max      25
_cell_measurement_theta_min      4
_cell_volume                     674.39(9)
_computing_cell_refinement       SMART
_computing_data_collection       'SMART (Bruker, 1997b)'
_computing_data_reduction        'SAINT (Bruker, 1997b)'
_computing_molecular_graphics    'ORTEP-3 (Farrugia, 1997)'
_computing_publication_material  CRYSTALS
_computing_structure_refinement  'CRYSTALS (Watkin et al., 1997)'
_diffrn_ambient_temperature      298
_diffrn_measurement_device_type  'Siemens SMART area-detector'
_diffrn_measurement_method       \w
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.04
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            4187
_diffrn_reflns_theta_max         27.00
_diffrn_reflns_theta_min         2.00
_diffrn_standards_decay_%        none
_exptl_absorpt_coefficient_mu    17.96
_exptl_absorpt_correction_T_max  0.41
_exptl_absorpt_correction_T_min  0.13
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 1997a)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    4.18
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             789
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.05
_refine_diff_density_max         1.77
_refine_diff_density_min         -1.08
_refine_ls_extinction_coef       41(3)
_refine_ls_extinction_method     'Larson (1967)'
_refine_ls_goodness_of_fit_ref   1.09
_refine_ls_hydrogen_treatment    refall
_refine_ls_matrix_type           full
_refine_ls_number_parameters     71
_refine_ls_number_reflns         817
_refine_ls_R_factor_gt           0.029
_refine_ls_shift/su_max          0.0003
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details
;Weighting: Chebychev polynomial with 3 parameters (Carruthers & Watkin,
 1979):
1.03, 0.668 and 0.810
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.032
_reflns_number_gt                817
_reflns_number_total             873
_reflns_observed_criterion       I>\s(I)
_cod_data_source_file            cf1315.cif
_cod_data_source_block           cf1315
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Orthorhombic ' changed to 'orthorhombic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Orthorhombic ' changed to
'orthorhombic' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        674.4
_cod_original_sg_symbol_H-M      'P n m a '
_cod_original_formula_sum        ' H1 Na1 O7 Se2 Zn2 '
_cod_database_code               2008881