Y~0.76~Ho~0.24~FeGe~2~O~7~: a new member of thortveitite-like layered compounds
Rosales, Ivonne; Chavira, Elizabeth; Orozco, Eligio; Bucio, Lauro; Acta Crystallographica Section E 65 (2009) i49–i50; doi:10.1107/S1600536809020467

data_2222247
_publ_section_title
;
 Y~0.76~Ho~0.24~FeGe~2~O~7~: a new member of thortveitite-like layered
 compounds
;
_journal_coeditor_code           BR2109
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              i49
_journal_page_last               i50
_journal_paper_doi               10.1107/S1600536809020467
_journal_volume                  65
_journal_year                    2009
_chemical_formula_iupac          'Y0.76 Ho0.24 Fe Ge2 O7'
_chemical_formula_structural     'Y0.8  Ho0.2  Fe1  Ge2 O7'
_chemical_formula_sum            'Fe Ge2 Ho0.24 O7 Y0.76'
_chemical_formula_weight         420.17
_chemical_name_systematic
;
yttrium holmium iron digermanate
;
_space_group_IT_number           11
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 100.6210(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.6496(2)
_cell_length_b                   8.5073(2)
_cell_length_c                   6.6712(2)
_cell_measurement_temperature    295
_cell_volume                     538.27(2)
_computing_cell_refinement       'DICVOL91 (Boultif & Lou\"er, 1991)'
_computing_data_collection       'DIFFRAC/AT (Siemens, 1993)'
_computing_data_reduction        'FULLPROF (Rodr\'iguez-Carvajal, 2006)'
_computing_molecular_graphics    'ATOMS (Dowty, 2000)'
_computing_publication_material  'ATOMS (Dowty, 2000)'
_computing_structure_refinement  'FULLPROF (Rodr\'iguez-Carvajal, 2006)'
_computing_structure_solution
;
coordinates taken from an isotypic compound (Redhammer <i>et al.</i>,
2007)
;
_diffrn_ambient_temperature      300
_diffrn_measurement_device_type  'Bruker Advance D8'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54175
_exptl_absorpt_coefficient_mu    51.085
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   none
_exptl_crystal_density_diffrn    5.186
_exptl_crystal_F_000             768.0
_pd_block_diffractogram_id       thortveitite
_pd_char_colour                  brown
_pd_instr_location
;
;
_pd_meas_2theta_range_inc        0.02
_pd_meas_2theta_range_max        80.00
_pd_meas_2theta_range_min        10
_pd_meas_number_of_points        3501
_pd_meas_scan_method             step
_pd_prep_temperature             1573
_pd_proc_ls_background_function
;
linear interpolation between a set background points with refinable heights
;
_pd_proc_ls_profile_function
'pseudo-Voigt modified by Thompson <i>et al.</i> (1987)'
_pd_proc_ls_prof_R_factor        0.07
_pd_proc_ls_prof_wR_expected     0.06
_pd_proc_ls_prof_wR_factor       0.09
_pd_spec_mounting                ' packed powder sample container'
_pd_spec_mount_mode              reflection
_pd_spec_shape                   flat_sheet
_pd_spec_size_axial              20
_pd_spec_size_equat              20
_pd_spec_size_thick              0.2
_refine_ls_goodness_of_fit_all   1.53
_refine_ls_matrix_type           fullcycle
_refine_ls_number_parameters     60
_refine_ls_number_reflns         843
_refine_ls_shift/su_max          0.02
_refine_ls_weighting_scheme      sigma
_cod_data_source_file            br2109.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/m'
_cod_original_formula_sum        'Fe1 Ge2 Ho0.24 O7 Y0.76'
_cod_database_code               2222247