Ytterbium cobalt gallium oxide, YbCoGaO~4~, as grown by the floating zone technique
Dabkowska, Hanna A.; Gaulin, Bruce D.; Dabkowski, Antoni; Luke, Graeme M.; Britten, James F.; Acta Crystallographica Section E 58 (2002) i1–i2; doi:10.1107/S1600536801020062

data_2200813
_publ_section_title
;
 Ytterbium cobalt gallium oxide, YbCoGaO~4~, as grown by the floating
 zone technique
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              i1
_journal_page_last               i2
_journal_paper_doi               10.1107/S1600536801020062
_journal_volume                  58
_journal_year                    2002
_chemical_formula_analytical     'Co1.02 Ga0.93 O4 Yb'
_chemical_formula_iupac          'Yb Co Ga O4'
_chemical_formula_structural     'Yb Co Ga O4'
_chemical_formula_sum            'Co Ga O4 Yb'
_chemical_formula_weight         365.69
_chemical_melting_point          1750
_chemical_name_common            'Ytterbium Cobalt Gallium Oxide'
_chemical_name_systematic
;
  ?
;
_space_group_IT_number           166
_symmetry_cell_setting           rhombohedral
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            3
_cell_length_a                   3.41650(10)
_cell_length_b                   3.41650(10)
_cell_length_c                   25.1220(10)
_cell_measurement_reflns_used    1391
_cell_measurement_temperature    299(2)
_cell_measurement_theta_max      36.16
_cell_measurement_theta_min      2.43
_cell_volume                     253.950(15)
_computing_cell_refinement       SMART
_computing_data_collection       'SMART (Bruker, 1997)'
_computing_data_reduction        'SAINT (Bruker, 1997)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 1997b)'
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997a)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997a)'
_database_code_amcsd             0010372
_diffrn_ambient_temperature      299(2)
_diffrn_measured_fraction_theta_full .954
_diffrn_measured_fraction_theta_max .954
_diffrn_measurement_device_type  CCD
_diffrn_measurement_method       '\f and \w'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     .71073
_diffrn_reflns_av_R_equivalents  .0474
_diffrn_reflns_av_sigmaI/netI    .0290
_diffrn_reflns_limit_h_max       5
_diffrn_reflns_limit_h_min       -4
_diffrn_reflns_limit_k_max       4
_diffrn_reflns_limit_k_min       -5
_diffrn_reflns_limit_l_max       37
_diffrn_reflns_limit_l_min       -40
_diffrn_reflns_number            1932
_diffrn_reflns_theta_full        36.15
_diffrn_reflns_theta_max         36.15
_diffrn_reflns_theta_min         2.43
_diffrn_standards_decay_%        .00
_exptl_absorpt_coefficient_mu    39.976
_exptl_absorpt_correction_T_max  .1422
_exptl_absorpt_correction_T_min  .0232
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 2000)'
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    7.174
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             480
_exptl_crystal_size_max          .22
_exptl_crystal_size_mid          .16
_exptl_crystal_size_min          .01
_refine_diff_density_max         2.936
_refine_diff_density_min         -2.884
_refine_ls_extinction_coef       .049(4)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL97
_refine_ls_goodness_of_fit_ref   1.158
_refine_ls_matrix_type           full
_refine_ls_number_parameters     14
_refine_ls_number_reflns         187
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.158
_refine_ls_R_factor_all          .0288
_refine_ls_R_factor_gt           .0269
_refine_ls_shift/su_max          <0.001
_refine_ls_shift/su_mean         .000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[\s^2^(Fo^2^)+(0.0345P)^2^+4.4469P] where P = (Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          .0616
_refine_ls_wR_factor_ref         .0618
_reflns_number_gt                178
_reflns_number_total             187
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            br6029.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:
'_geom_bond_publ_flag' value 'Y' changed to 'y' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (2 times).

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_chemical_melting_point' value '1750 K' was changed to '1750' - the
value should be numeric and without a unit designator.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 

The following automatic conversions were performed:

'_chemical_melting_point' value '1750 K' was changed to '1750' - the
value should be numeric and without a unit
designator.

'_geom_bond_publ_flag' value 'Y' changed to 'y'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29 (2
times).

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 

The following automatic conversions were performed:

'_symmetry_cell_setting' tag value 'Rombohedral' was replaced with
'rhombohedral' value as specified in the replacement file
'/home/robertas/cod-tools/perl-scripts/inputs/replacement_values.lst'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        253.95(2)
_cod_original_sg_symbol_H-M      'R -3 m'
_cod_database_code               2200813
_cod_database_fobs_code          2200813
_amcsd_formula_title             YbCoGaO4