Structure d'un Monophosphate Synthétique de Magnésium et de Sodium: Mg~3~Na~3~(PO~4~)~3~
Imura, Hiroshi; Kawahara, Akira; Acta Crystallographica Section C 53 (1997) 1733–1735; doi:10.1107/S0108270197003211

data_2006791
_publ_contact_author
;
      Professor Akira Kawahara
      Department of Earth Sciences
      Faculty of Science
      Okayama University
      3-1-1 Tsushima-Naka Okayama 700
      Japan.
;
_publ_section_title
;
 Structure d'un Monophosphate Synth\'etique de Magn\'esium et de
 Sodium: Mg~3~Na~3~(PO~4~)~3~
;
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1733
_journal_page_last               1735
_journal_paper_doi               10.1107/S0108270197003211
_journal_volume                  53
_journal_year                    1997
_chemical_formula_sum            'Mg3 Na3 O12 P3'
_chemical_formula_weight         426.8
_chemical_name_systematic
;
Structure d'un Monophosphate synth\'etique de Magn\'esium et de
Sodium: MgNaPO~4~
;
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_atom_type_scat_source
'International Tables for X-ray Crystallograpy (1974, Tome IV)'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.8190(10)
_cell_length_b                   15.244(2)
_cell_length_c                   6.828(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293
_cell_measurement_theta_max      27.4
_cell_measurement_theta_min      23.5
_cell_volume                     917.9(3)
_diffrn_ambient_temperature      293
_diffrn_measurement_device       'Rigaku AFC-5R'
_diffrn_measurement_method       \q/2\q
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'tube aux rayons-X'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            1991
_diffrn_reflns_theta_max         32.5
_diffrn_standards_decay_%        0.1
_diffrn_standards_interval_time  210
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.073
_exptl_absorpt_correction_T_max  .918
_exptl_absorpt_correction_T_min  .871
_exptl_absorpt_correction_type
'empirique par balayage \y (ABSC: Takano, Tanaka & Kusunoki, 1973)'
_exptl_crystal_colour            incolore
_exptl_crystal_density_diffrn    3.09
_exptl_crystal_description       prismatique
_exptl_crystal_F_000             840
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.09
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.62
_refine_diff_density_min         -0.74
_refine_ls_goodness_of_fit_obs   1.26
_refine_ls_number_parameters     190
_refine_ls_number_reflns         1392
_refine_ls_R_factor_obs          .055
_refine_ls_shift/esd_max         0.097
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(F)+0.0001F^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         .046
_reflns_number_observed          1392
_reflns_number_total             1991
_reflns_observed_criterion       'I > 3\s I'
_cod_data_source_file            du1170.cif
_cod_data_source_block           global
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'w = 1/[\s^2^(F)+0.0001F^2^] '
was changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to 'w =
1/[\s^2^(F)+0.0001F^2^]'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_formula_sum        'Mg3 Na3 P3 O12'
_cod_database_code               2006791