9Mg(OH)2.MgCl2.4H2O, a High Temperature Phase of the Magnesia Binder System
Robert E. Dinnebier; Daniela Freyer; Sebastian Bette; Melanie Oestreich; Inorganic Chemistry 49 (2010) 9770–9776; doi:10.1021/ic1004566

data_4316888
_publ_contact_author
;
      Dinnebier, Robert
      Max-Planck Institute for Solid State Research
      Heisenbergstrasse 1
      D-70569 Stuttgart
      Germany
;
_publ_contact_author_email       r.dinnebier@fkf.mpg.de
_publ_contact_author_fax         '+49 711 689 1139'
_publ_contact_author_phone       '+49 711 689 1503'
_publ_section_title
;
 9Mg(OH)2.MgCl2.4H2O, a High Temperature Phase of the Magnesia Binder
 System
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              9770
_journal_page_last               9776
_journal_paper_doi               10.1021/ic1004566
_journal_volume                  49
_journal_year                    2010
_chemical_formula_sum            'Cl2 H26 Mg10 O22'
_chemical_formula_weight         692.192
_chemical_name_common            'F9; 9-1-4; 9Mg(OH)2 1MgCl2 4H2O'
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-I 2y'
_symmetry_space_group_name_H-M   'I 1 2/m 1'
_audit_creation_method           TOPAS
_cell_angle_alpha                90
_cell_angle_beta                 97.7533(12)
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   22.28316(32)
_cell_length_b                   3.135010(42)
_cell_length_c                   8.13157(17)
_cell_measurement_temperature    293
_cell_volume                     562.862(16)
_diffrn_ambient_temperature      293
_diffrn_detector
; 
 Lynx-Eye 
;
_diffrn_radiation_monochromator
'Johannson Ge(111) primary beam monochromator'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           laboratory
_diffrn_radiation_wavelength     1.54059
_diffrn_source_type              Cu-tube
_exptl_absorpt_process_details
;   
 ?
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.041
_exptl_crystal_description       'microcrystalline powder'
_pd_calc_method                  'Rietveld Refinement'
_pd_instr_location
; 
'Bruker d8 Advance, Debye-Scherrer mode, MPI-FKF, Stuttgart, Germany'
;
_pd_meas_2theta_range_inc        0.009
_pd_meas_2theta_range_max        125.0
_pd_meas_2theta_range_min        6.0
_pd_meas_scan_method             step
_pd_proc_2theta_range_inc        0.009
_pd_proc_2theta_range_max        125.0
_pd_proc_2theta_range_min        6.0
_pd_proc_info_data_reduction     binning
_pd_proc_info_excluded_regions
;
 ?
;
_pd_proc_ls_background_function
;   
'Chebyshev polynomial'
;
_pd_proc_ls_peak_cutoff          0.00100
_pd_proc_ls_profile_function
;
 Fundamental parameters
;
_pd_proc_ls_prof_R_factor        0.0289
_pd_proc_ls_prof_wR_expected     0.0176
_pd_proc_ls_prof_wR_factor       0.0370
_pd_spec_mounting
; 
'0.5 mm glass capillary'
;
_pd_spec_mount_mode              transmission
_pd_spec_shape                   cylinder
_refine_ls_number_parameters     51
_refine_ls_R_Fsqd_factor         0.0244
_cod_data_source_file            ic1004566_si_001.cif
_cod_data_source_block           F9
_cod_depositor_comments
;
The following automatic conversions were performed:

'_diffrn_radiation_probe' value 'X-ray' changed to 'x-ray' according
to the built-in table from CIF Core dictionary named 'cif_core.dic'
version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_database_code               4316888