Layered Zinc Hydroxide Dihydrate, Zn<sub>5</sub>(OH)<sub>10</sub>·2H<sub>2</sub>O, from Hydrothermal Conversion of ε-Zn(OH)<sub>2</sub> at Gigapascal Pressures and its Transformation to Nanocrystalline ZnO.
Gordeeva, Alisa; Hsu, Ying-Jui; Jenei, Istvan Z.; Brant Carvalho, Paulo H. B.; Simak, Sergei I.; Andersson, Ove; Häussermann, Ulrich; ACS omega 5 (2020) 17617–17627; doi:10.1021/acsomega.0c02075

data_4517837
_publ_section_title
;
 Layered Zinc Hydroxide Dihydrate,
 Zn<sub>5</sub>(OH)<sub>10</sub>&#x00B7;2H<sub>2</sub>O, from Hydrothermal
 Conversion of \e-Zn(OH)<sub>2</sub> at Gigapascal Pressures and its
 Transformation to Nanocrystalline ZnO.
;
_journal_issue                   28
_journal_name_full               'ACS omega'
_journal_page_first              17617
_journal_page_last               17627
_journal_paper_doi               10.1021/acsomega.0c02075
_journal_volume                  5
_journal_year                    2020
_chemical_formula_iupac          'Zn5 (OH)10 ,2 H2O'
_chemical_formula_moiety         'O10 Zn5, 2(O)'
_chemical_formula_structural     'Zn5 (OH)10 (H2O)2'
_chemical_formula_sum            'O12 Zn5'
_chemical_formula_weight         518.95
_chemical_name_systematic        'Zinc Hydroxide Dihydrate'
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_cell_angle_alpha                90.0000
_cell_angle_beta                 100.86(1)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   15.342(7)
_cell_length_b                   6.244(6)
_cell_length_c                   10.989(7)
_cell_measurement_temperature    298
_cell_volume                     1033.8(13)
_computing_cell_refinement
'FullProf Suite(Rodriguez-Carvajal, J., 1990)'
_computing_structure_solution    'FOX (Favre-nicolin, V.; Cern, R., 2002)'
_diffrn_ambient_pressure         101.325
_diffrn_ambient_temperature      298
_diffrn_measurement_device_type  'Panalytical XPert Alpha1'
_diffrn_radiation_monochromator  'Ge 1 1 1'
_diffrn_radiation_probe          x-ray
_diffrn_source_target            Cu
_exptl_crystal_colour            white
_exptl_crystal_density_diffrn    3.334
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'plate like nano powder'
_exptl_crystal_F_000             984.00
_pd_char_colour                  white
_pd_char_particle_morphology     plate-like
_pd_instr_location
; 
Materials Analysis Center at Arrhenius Laboratory,
Department of Materials and Environmental Chemistry, 
Stockholm University, 
SE-106 91 Stockholm, 
Sweden
;
_pd_meas_2theta_range_inc        0.013002
_pd_meas_2theta_range_max        109.9896
_pd_meas_2theta_range_min        10.0846
_pd_meas_number_of_points        7686
_pd_meas_scan_method             cont
_pd_prep_pressure                2000000
_pd_prep_temperature             373
_pd_proc_2theta_range_inc        0.013002
_pd_proc_2theta_range_max        109.9896
_pd_proc_2theta_range_min        10.0846
_pd_proc_ls_background_function
;
Linear interpolation between 18 given points
;
_pd_proc_ls_profile_function
;Thompson-Cox-Hastings pseudo-Voigt 
convoluted with axial divergence asymmetry function
;
_pd_proc_ls_prof_R_factor        0.048918
_pd_proc_ls_prof_wR_expected     0.035188
_pd_proc_ls_prof_wR_factor       0.062960
_pd_spec_mounting
' powder fixed by ethanol to a zero background sample holder'
_pd_spec_mount_mode              reflection
_pd_spec_shape                   flat_sheet
_refine_ls_goodness_of_fit_all   3.2013
_refine_ls_number_parameters     60
_refine_ls_R_I_factor            0.030127
_refine_ls_shift/su_max          0.0454
_reflns_number_gt                652
_cod_data_source_file            ao0c02075_si_003.cif
_cod_data_source_block           ZincHydroxideDihydrate
_cod_depositor_comments          'Adding full bibliography for 4517837.cif.'
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               4517837