Epitaxial Growth of Gibbsite Sheets on the Basal Surface of Muscovite Mica
Stubbs, Joanne E.; Legg, Benjamin A.; Lee, Sang Soo; Dera, Przemyslaw; De Yoreo, James J.; Fenter, Paul; Eng, Peter J.; The Journal of Physical Chemistry C  (2019) –; doi:10.1021/acs.jpcc.9b08219

data_1552546
_publ_section_title
;
 Epitaxial Growth of Gibbsite Sheets on the Basal Surface of Muscovite
 Mica
;
_journal_name_full               'The Journal of Physical Chemistry C'
_journal_paper_doi               10.1021/acs.jpcc.9b08219
_journal_year                    2019
_chemical_formula_sum            'Al1.95 H2 K O12 Si4 Ti0.05'
_chemical_formula_weight         400.48
_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'
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   difmap
_audit_creation_method           SHELXL-2014/7
_cell_angle_alpha                90
_cell_angle_beta                 95.7520(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.18750(10)
_cell_length_b                   9.0047(2)
_cell_length_c                   20.0217(5)
_cell_measurement_reflns_used    8920
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      47.226
_cell_measurement_theta_min      6.456
_cell_volume                     930.54(4)
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.969
_diffrn_measured_fraction_theta_max 0.982
_diffrn_measurement_device_type  'Bruker D8 Venture, Photon II area detector'
_diffrn_radiation_type           AgK\a
_diffrn_radiation_wavelength     0.56086
_diffrn_reflns_av_R_equivalents  0.0567
_diffrn_reflns_av_unetI/netI     0.0485
_diffrn_reflns_Laue_measured_fraction_full 0.969
_diffrn_reflns_Laue_measured_fraction_max 0.982
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            8025
_diffrn_reflns_point_group_measured_fraction_full 0.969
_diffrn_reflns_point_group_measured_fraction_max 0.982
_diffrn_reflns_theta_full        19.665
_diffrn_reflns_theta_max         23.616
_diffrn_reflns_theta_min         3.571
_exptl_absorpt_coefficient_mu    0.709
_exptl_crystal_density_diffrn    2.859
_exptl_crystal_description       platelet
_exptl_crystal_F_000             798
_refine_diff_density_max         2.006
_refine_diff_density_min         -1.767
_refine_diff_density_rms         0.388
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.140
_refine_ls_hydrogen_treatment    refall
_refine_ls_matrix_type           full
_refine_ls_number_parameters     97
_refine_ls_number_reflns         1405
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.140
_refine_ls_R_factor_all          0.0793
_refine_ls_R_factor_gt           0.0781
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1689P)^2^+1.8541P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2197
_refine_ls_wR_factor_ref         0.2220
_reflns_Friedel_coverage         0.000
_reflns_number_gt                1329
_reflns_number_total             1405
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            jp9b08219_si_002.cif
_cod_data_source_block           shelx
_cod_database_code               1552546
_shelx_shelxl_version_number     2014/7
_shelx_res_checksum              9265
_shelx_hkl_checksum              37169