New rare-earth (Y, Yb) bismuth(III) germanates. An initial study of a promising series
Concepción Cascales; Juan Antonio Campa; Enrique Gutiérrez Puebla; M. Angeles Monge; Caridad Ruíz Valero; Isidoro Rasines; J. Mater. Chem. 12 (2002) 3626–3630; doi:10.1039/b207638c

data_7204507
_publ_section_title
;
 New rare-earth (Y, Yb) bismuth(III) germanates. An initial study of a
 promising series
;
_journal_issue                   12
_journal_name_full               'J. Mater. Chem.'
_journal_page_first              3626
_journal_page_last               3630
_journal_paper_doi               10.1039/b207638c
_journal_volume                  12
_journal_year                    2002
_chemical_compound_source        ?
_chemical_formula_sum            'Bi Ge O5 Y'
_chemical_formula_weight         450.47
_chemical_name_systematic        ?
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   'Fourier Synthesis'
_cell_angle_alpha                90.00(0)
_cell_angle_beta                 90.00(0)
_cell_angle_gamma                90.00(0)
_cell_formula_units_Z            8.00
_cell_length_a                   5.3419(8)
_cell_length_b                   15.232(2)
_cell_length_c                   11.084(3)
_cell_volume                     901.9(3)
_diffrn_ambient_temperature      295
_diffrn_measurement_device_type  'Enraf-Nonius CAD4'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_reduction_process ?
_diffrn_reflns_theta_max         30
_diffrn_reflns_theta_min         1
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    58.2272
_exptl_absorpt_correction_T_max  1.06
_exptl_absorpt_correction_T_min  0.95
_exptl_absorpt_correction_type   'empirical DIFABS'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    6.6352
_exptl_crystal_description       ?
_exptl_crystal_F_000             1552.0
_exptl_crystal_size_max          0.3mm
_exptl_crystal_size_mid          0.1mm
_exptl_crystal_size_min          0.06mm
_refine_diff_density_max         2.534
_refine_diff_density_min         -2.383
_refine_ls_goodness_of_fit_ref   0.8
_refine_ls_number_parameters     48
_refine_ls_number_reflns         757
_refine_ls_R_factor_gt           3.9
_refine_ls_shift/su_max          0.0022
_refine_ls_shift/su_mean         0.0006
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      unit
_refine_ls_wR_factor_all         12.3
_refine_ls_wR_factor_ref         4.6
_reflns_number_gt                757
_reflns_number_total             1312
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            b207638c.txt
_cod_data_source_block           YBiGeO5
_cod_depositor_comments
;
 Changing the _atom_site_occupancy data item value from '.' to '1'
 for all fully occupied atom sites.

 Antanas Vaitkus,
 2017-02-10

The following automatic conversions were performed:

'_diffrn_ambient_temperature' value '295K' was changed to '295' - the
value should be numeric and without a unit designator.

Automatic conversion script
Id: cif_fix_values 1569 2011-02-09 13:29:24Z adriana 

The following automatic conversions were performed:

'_atom_sites_solution_primary' value 'Direct Methods' was changed to
'direct'.

Automatic conversion script
Id: cif_fix_values 6452 2018-10-05 10:23:21Z andrius 
;
_cod_original_sg_symbol_H-M      Pbca
_cod_original_formula_sum        'Bi1 Ge1 Y1 O5 '
_cod_database_code               7204507