GeP and (Ge1−Sn )(P1−Ge ) (x≈0.12, y≈0.05): Synthesis, structure, and properties of two-dimensional layered tetrel phosphides
Lee, Kathleen; Synnestvedt, Sarah; Bellard, Maverick; Kovnir, Kirill; Journal of Solid State Chemistry 224 (2015) 62–70; doi:10.1016/j.jssc.2014.04.021

data_1562071
_publ_section_title
;
 GeP and (Ge1&#x2212;Sn )(P1&#x2212;Ge ) (x&#x2248;0.12, y&#x2248;0.05):
 Synthesis, structure, and properties of two-dimensional layered tetrel
 phosphides
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              62
_journal_page_last               70
_journal_paper_doi               10.1016/j.jssc.2014.04.021
_journal_volume                  224
_journal_year                    2015
_chemical_formula_sum            'Ge0.93 P0.95 Sn0.12'
_chemical_formula_weight         111.42
_space_group_IT_number           12
_space_group_name_Hall           '-C 2y'
_space_group_name_H-M_alt        'C 1 2/m 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.00
_cell_angle_beta                 101.787(13)
_cell_angle_gamma                90.00
_cell_formula_units_Z            12
_cell_length_a                   15.284(9)
_cell_length_b                   3.622(2)
_cell_length_c                   9.207(5)
_cell_measurement_temperature    90(2)
_cell_volume                     498.9(5)
_computing_cell_refinement       'SMART V5.625 (Bruker, 2000)'
_computing_data_collection       'SMART V5.625 (Bruker, 2000)'
_computing_data_reduction        'SAINT V6.32 (Bruker, 2001)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      90(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0979
_diffrn_reflns_av_sigmaI/netI    0.0701
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       4
_diffrn_reflns_limit_k_min       -4
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            2254
_diffrn_reflns_theta_full        26.32
_diffrn_reflns_theta_max         26.32
_diffrn_reflns_theta_min         2.72
_exptl_absorpt_coefficient_mu    19.274
_exptl_absorpt_correction_T_max  0.8306
_exptl_absorpt_correction_T_min  0.2759
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS v2.03 (Bruker, 2003)'
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    4.450
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             601
_exptl_crystal_size_max          0.09
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.01
_refine_diff_density_max         1.964
_refine_diff_density_min         -2.602
_refine_diff_density_rms         0.406
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.087
_refine_ls_matrix_type           full
_refine_ls_number_parameters     49
_refine_ls_number_reflns         598
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      1.084
_refine_ls_R_factor_all          0.0821
_refine_ls_R_factor_gt           0.0513
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0733P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1179
_refine_ls_wR_factor_ref         0.1346
_reflns_number_gt                426
_reflns_number_total             598
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            JSSC-2015-224-62.cif
_cod_data_source_block           SnGeP
_cod_original_sg_symbol_H-M      C2/m
_cod_database_code               1562071