Lanthanum dimagnesium
Belgacem, Besma; Yahyaoui, Samia; Demchenko, P. Yu.; Bodak, O. I.; Dusek, Michal; Petricek, Vaclav; Ben Hassen, Rached; Acta Crystallographica Section E 61 (2005) i155–i157; doi:10.1107/S1600536805021343

data_2206344
_publ_section_title
;
 Lanthanum dimagnesium
;
_journal_coeditor_code           BR6195
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              i155
_journal_page_last               i157
_journal_paper_doi               10.1107/S1600536805021343
_journal_volume                  61
_journal_year                    2005
_chemical_formula_iupac          'La Mg2'
_chemical_formula_structural     'La Mg2'
_chemical_formula_sum            'La Mg2'
_chemical_formula_weight         187.53
_chemical_name_systematic
;
Lanthanum Dimagnesium
;
_space_group_IT_number           227
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_atom_sites_solution_primary     Patterson
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   8.810(2)
_cell_length_b                   8.810(2)
_cell_length_c                   8.810(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    295
_cell_measurement_theta_max      27
_cell_measurement_theta_min      2.15
_cell_volume                     683.8(3)
_computing_cell_refinement       KM4B8
_computing_data_collection       'KM4B8 (Galdecki <i>et al.</i>, 1996)'
_computing_data_reduction        'JANA2000 (Petricek <i>et al.</i>, 2000)'
_computing_molecular_graphics    'DIAMOND (Brandenburg, 1999)'
_computing_publication_material  JANA2000
_computing_structure_refinement  JANA2000
_computing_structure_solution    JANA2000
_diffrn_ambient_temperature      295
_diffrn_measured_fraction_theta_full 1.00
_diffrn_measurement_device_type  'Oxford Diffraction point-detector'
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0314
_diffrn_reflns_av_sigmaI/netI    0.0053
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            648
_diffrn_reflns_theta_full        26.6
_diffrn_reflns_theta_max         26.6
_diffrn_reflns_theta_min         4.01
_diffrn_standards_decay_%        1.1
_diffrn_standards_interval_count 100
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    12.55
_exptl_absorpt_correction_T_max  0.550
_exptl_absorpt_correction_T_min  0.323
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details   '(JANA2000; Petricek <i>et al.</i>, 2000)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    3.6417
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'elongated tablet'
_exptl_crystal_F_000             648
_exptl_crystal_size_max          0.36
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.07
_refine_diff_density_max         0.11
_refine_diff_density_min         -0.09
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.14
_refine_ls_number_parameters     4
_refine_ls_number_reflns         50
_refine_ls_R_factor_all          0.0093
_refine_ls_R_factor_gt           0.0083
_refine_ls_shift/su_max          0.0015
_refine_ls_shift/su_mean         0.0005
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     w=1/(\s^2^(I)+0.0004I^2^)
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_gt          0.0242
_refine_ls_wR_factor_ref         0.0245
_reflns_number_gt                46
_reflns_number_total             50
_reflns_threshold_expression     I>3\s(I)
_cod_data_source_file            br6195.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:
'_exptl_absorpt_correction_type' value 'Gaussian' changed to 'gaussian'
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:

'_exptl_absorpt_correction_type' value 'Gaussian' changed to
'gaussian' 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_sg_symbol_H-M      'F d -3 m'
_cod_database_code               2206344
_cod_database_fobs_code          2206344