Magnesium perchlorate anhydrate, Mg(ClO~4~)~2~, from laboratory X-ray powder data
Lim, Hyung-Kyu; Choi, Young Sun; Hong, Seung-Tae; Acta Crystallographica Section C 67 (2011) i36–i38; doi:10.1107/S0108270111015861

data_2018117
_publ_section_title
;
 Magnesium perchlorate anhydrate, Mg(ClO~4~)~2~, from laboratory X-ray
 powder data
;
_journal_coeditor_code           SQ3289
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              i36
_journal_page_last               i38
_journal_paper_doi               10.1107/S0108270111015861
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          'Mg (Cl O4)2'
_chemical_formula_moiety         'Mg 2+, 2(Cl O4 -)'
_chemical_formula_sum            'Cl2 Mg O8'
_chemical_formula_weight         223.20
_chemical_name_systematic
;
Magnesium bis(perchlorate)
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90.0
_cell_angle_beta                 118.7704(11)
_cell_angle_gamma                90.0
_cell_formula_units_Z            2
_cell_length_a                   4.85705(10)
_cell_length_b                   8.41719(16)
_cell_length_c                   7.87301(16)
_cell_measurement_temperature    296
_cell_volume                     282.137(10)
_computing_cell_refinement       'GSAS (Larson & Von Dreele, 2000)'
_computing_data_collection       'COMMANDER (Bruker, 2003)'
_computing_data_reduction        'EVA (Bruker, 2003)'
_computing_molecular_graphics    'ATOMS (Dowty, 2000)'
_computing_publication_material  'GSAS (Larson & Von Dreele, 2000)'
_computing_structure_refinement  'GSAS (Larson & Von Dreele, 2000)'
_computing_structure_solution
;
SHELXS97 (Sheldrick, 2008) and CRYSTALS (Betteridge <i>et al.</i>,
2003)
;
_diffrn_ambient_temperature      296
_diffrn_measurement_device_type  'Bruker D8 Advance'
_diffrn_radiation_monochromator  'Ge 111'
_diffrn_radiation_type           'Cu K\a~1~'
_diffrn_radiation_wavelength     1.5405
_exptl_absorpt_coefficient_mu    11.712
_exptl_crystal_density_diffrn    2.628
_exptl_crystal_F_000             222.58
_pd_block_diffractogram_id
2011-04-06T15:23|MGP|Hyung-Kyu_Lim|Bruker_AXS_D8_Advance_Vario
_pd_char_colour                  white
_pd_meas_2theta_range_inc        0.01668
_pd_meas_2theta_range_max        129.98903
_pd_meas_2theta_range_min        15.0
_pd_meas_number_of_points        6894
_pd_meas_scan_method             step
_pd_phase_name                   Mg(ClO4)2
_pd_prep_temperature             296
_pd_proc_ls_background_function
;   GSAS Background function number 1 with 18 terms.
 Shifted Chebyshev function of 1st kind
      1:    48.1453     2:   -38.0385     3:    35.2720     4:   -29.0981
      5:    26.3053     6:   -21.8255     7:    18.1473     8:   -13.0811
      9:    9.91226    10:   -7.27175    11:    4.02413    12:  -0.768059
     13:  -0.560606    14:    2.20823    15:   -2.95237    16:    3.09518
     17:   -1.89111    18:    2.06051
;
_pd_proc_ls_peak_cutoff          0.00100
_pd_proc_ls_profile_function
;
CW Profile function number 4 with 21 terms
Pseudovoigt profile coefficients as parameterized in
P. Thompson, D. E. Cox & J. B. Hastings (1987). J. Appl. Cryst. 20,
79--83.
Asymmetry correction of L. W. Finger, D. E. Cox & A. P. Jephcoat
(1994).
J. Appl. Cryst. 27, 892--900.
Microstrain broadening by P. W. Stephens (1999). J. Appl. Cryst. 32,
281--289.
Peak tails are ignored where the intensity is below 0.0010 times the peak
Aniso. broadening axis   0.0   0.0   1.0
;
_pd_proc_ls_prof_R_factor        0.1022
_pd_proc_ls_prof_wR_expected     0.1073
_pd_proc_ls_prof_wR_factor       0.1446
_pd_spec_mounting                'packed powder'
_pd_spec_mount_mode              reflection
_pd_spec_shape                   flat_sheet
_pd_spec_size_axial              20
_pd_spec_size_equat              20
_pd_spec_size_thick              1
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.35
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     32
_refine_ls_number_reflns         481
_refine_ls_number_restraints     0
_refine_ls_shift/su_max          0.04
_refine_ls_shift/su_mean         0.00
_refine_ls_weighting_scheme      sigma
_cod_data_source_file            sq3289.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2018117
_cod_database_fobs_code          2018117