Na8[Zn4Ge8O18(OH)12]·2H2O: An interrupted-framework zincogermanate built from [GeO3(OH)] and [Ge2(OH)2] units
Reisner, Barbara A.; Tripathi, Akhilesh; Parise, John B.; Journal of Materials Chemistry 11 (2001) 887–; doi:10.1039/b004668j

data_7204931
_publ_section_title
;
 Na8[Zn4Ge8O18(OH)12]&#x00B7;2H2O: An interrupted-framework zincogermanate
 built from [GeO3(OH)] and [Ge2(OH)2] units
;
_journal_issue                   3
_journal_name_full               'Journal of Materials Chemistry'
_journal_page_first              887
_journal_paper_doi               10.1039/b004668j
_journal_volume                  11
_journal_year                    2001
_chemical_formula_sum            'Ge2 H4 Na2 O8 Zn'
_chemical_formula_weight         388.62
_chemical_name_common            'sodium zinc germanate hydroxide hydrate'
_space_group_IT_number           60
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2n 2ab'
_symmetry_space_group_name_H-M   'P b c n'
_atom_sites_solution_hydrogens   refined
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.036(3)
_cell_length_b                   8.7286(17)
_cell_length_c                   12.938(3)
_cell_measurement_reflns_used    9377
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.25
_cell_measurement_theta_min      3.13
_cell_volume                     1472.2(6)
_computing_cell_refinement       'SAINT  (Bruker )'
_computing_data_collection       'SMART (Bruker )'
_computing_data_reduction        'SAINT and SADABS (Sheldrick, 1996)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXTL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 0.75
_diffrn_measured_fraction_theta_full 0.938
_diffrn_measured_fraction_theta_max 0.938
_diffrn_measurement_device_type  'SMART 1K CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0602
_diffrn_reflns_av_sigmaI/netI    0.0364
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            9377
_diffrn_reflns_theta_full        28.25
_diffrn_reflns_theta_max         28.25
_diffrn_reflns_theta_min         3.13
_exptl_absorpt_coefficient_mu    11.474
_exptl_absorpt_correction_T_max  .9999
_exptl_absorpt_correction_T_min  0.442433
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    3.506
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       tabular
_exptl_crystal_F_000             1472
_exptl_crystal_size_max          '0.2 mm'
_exptl_crystal_size_mid          '0.1 mm'
_exptl_crystal_size_min          '0.02 mm'
_refine_diff_density_max         3.345
_refine_diff_density_min         -1.731
_refine_diff_density_rms         0.318
_refine_ls_extinction_coef       0.0001(2)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     'SHELXTL (Bruker, 1997)'
_refine_ls_goodness_of_fit_ref   1.060
_refine_ls_hydrogen_treatment    refined
_refine_ls_matrix_type           full
_refine_ls_number_parameters     138
_refine_ls_number_reflns         1712
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.060
_refine_ls_R_factor_all          0.0595
_refine_ls_R_factor_gt           0.0434
_refine_ls_shift/su_max          0.193
_refine_ls_shift/su_mean         0.018
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0766P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1206
_refine_ls_wR_factor_ref         0.1293
_reflns_number_gt                1125
_reflns_number_total             1712
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            b004668j.txt
_cod_data_source_block           absj30
_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 
;
_cod_original_cell_volume        1472.2(5)
_cod_original_sg_symbol_H-M      Pbcn
_cod_original_formula_sum        'H4 Ge2 Na2 O8 Zn'
_cod_database_code               7204931