A quaternary germanium(II) phosphate, Na[Ge~4~(PO~4~)~3~]
Lee, Chi-Shen; Weng, Sheng-Feng; Acta Crystallographica Section E 64 (2008) i17–; doi:10.1107/S1600536808003231

data_2217763
_publ_section_title
;
 A quaternary germanium(II) phosphate, Na[Ge~4~(PO~4~)~3~]
;
_journal_coeditor_code           FI2055
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              i17
_journal_paper_doi               10.1107/S1600536808003231
_journal_volume                  64
_journal_year                    2008
_chemical_formula_iupac          'Na [Ge4 (P O4)3]'
_chemical_formula_moiety         'Ge4 O12 P3, Na'
_chemical_formula_sum            'Ge4 Na O12 P3'
_chemical_formula_weight         598.26
_chemical_name_systematic
;
sodium tetragermanium tris(phosphate)
;
_space_group_IT_number           161
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  'R 3 -2"c'
_symmetry_space_group_name_H-M   'R 3 c :H'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            6
_cell_length_a                   9.377(8)
_cell_length_b                   9.377(8)
_cell_length_c                   23.48(3)
_cell_measurement_reflns_used    2164
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      28.28
_cell_measurement_theta_min      3.05
_cell_volume                     1788(3)
_computing_cell_refinement       'SMART (Bruker, 2000)'
_computing_data_collection       'SMART (Bruker, 2000)'
_computing_data_reduction        'SAINT (Bruker, 2000)'
_computing_molecular_graphics    'ATOMS (Dowty, 2005)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.984
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measurement_device_type  'Bruker SMART CCD area-detector'
_diffrn_measurement_method       '\f and \w'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0683
_diffrn_reflns_av_sigmaI/netI    0.0661
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            2164
_diffrn_reflns_theta_full        28.28
_diffrn_reflns_theta_max         28.28
_diffrn_reflns_theta_min         3.05
_exptl_absorpt_coefficient_mu    10.490
_exptl_absorpt_correction_T_max  1
_exptl_absorpt_correction_T_min  0.488
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2000)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    3.334
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       rod
_exptl_crystal_F_000             1680
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.1
_refine_diff_density_max         1.708
_refine_diff_density_min         -1.064
_refine_ls_abs_structure_details 'Flack (1983), 146 Friedel pairs'
_refine_ls_abs_structure_Flack   0.23(8)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.087
_refine_ls_matrix_type           full
_refine_ls_number_parameters     62
_refine_ls_number_reflns         639
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.086
_refine_ls_R_factor_all          0.0638
_refine_ls_R_factor_gt           0.0580
_refine_ls_shift/su_max          0.017
_refine_ls_shift/su_mean         0.005
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.08P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1301
_refine_ls_wR_factor_ref         0.1328
_reflns_number_gt                567
_reflns_number_total             639
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            fi2055.cif
_cod_data_source_block           I
_cod_original_sg_symbol_Hall     'R 3 -2" c'
_cod_original_sg_symbol_H-M      'R 3 c'
_cod_database_code               2217763
_cod_database_fobs_code          2217763