Czochralski-Grown SrLaGaO~4~
Britten, J. F.; Dabkowska, H. A.; Dabkowski, A. B.; Greedan, J. E.; Campbell, J. L.; Teesdale, W. J.; Acta Crystallographica Section C 51 (1995) 1975–1977; doi:10.1107/S0108270194011820

data_2004007
_publ_section_title
;
 Czochralski-Grown SrLaGaO~4~
;
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1975
_journal_page_last               1977
_journal_paper_doi               10.1107/S0108270194011820
_journal_volume                  51
_journal_year                    1995
_chemical_formula_analytical     'Ga La O4 Sr'
_chemical_formula_structural     'Ga La O4 Sr'
_chemical_formula_sum            'Ga La O4 Sr'
_chemical_formula_weight         360.25
_chemical_melting_point          1793
_chemical_name_common            'strontium lanthanum gallate'
_chemical_name_systematic
;
 strontium lanthanum gallate
;
_space_group_IT_number           139
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-I 4 2'
_symmetry_space_group_name_H-M   'I 4/m m m'
_audit_creation_method           SHELXL
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   3.8437(3)
_cell_length_b                   3.8437(3)
_cell_length_c                   12.6880(15)
_cell_measurement_reflns_used    23
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      110.1
_cell_measurement_theta_min      87.3
_cell_measurement_wavelength     .55941
_cell_volume                     187.45(3)
_computing_cell_refinement
' R3m/V Crystallographic Research System using K\a~1~ (Siemens, 1989)'
_computing_data_collection
' R3m/V Crystallographic Research System using K\a~1~ (Siemens, 1989)'
_computing_data_reduction
' R3m/V Crystallographic Research System (Siemens, 1989)'
_computing_molecular_graphics    'SHELXTL/PC (Sheldrick, 1992)'
_computing_publication_material  'SHELXL93 (Sheldrick, 1994)'
_computing_structure_refinement  'SHELXL93 (Sheldrick, 1994)'
_computing_structure_solution
' TEXSAN (Molecular Structure Corporation, 1992)'
_diffrn_ambient_temperature      296(2)
_diffrn_measurement_device       'Siemens R3m/V'
_diffrn_measurement_method       2\q-\q
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           AgK\a
_diffrn_radiation_wavelength     .56086
_diffrn_reflns_av_R_equivalents  .0281
_diffrn_reflns_av_sigmaI/netI    0.0311
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       37
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            1868
_diffrn_reflns_theta_max         55.29
_diffrn_reflns_theta_min         2.53
_diffrn_standards_decay_%        .00
_diffrn_standards_interval_count 97
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    17.255
_exptl_absorpt_correction_T_max  .10408
_exptl_absorpt_correction_T_min  .03751
_exptl_absorpt_correction_type   sphere
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    6.383
_exptl_crystal_density_meas      6.388(9)
_exptl_crystal_density_method    displacement
_exptl_crystal_description       'ground sphere'
_exptl_crystal_F_000             316
_exptl_crystal_size_rad          .152(4)
_refine_diff_density_max         4.982
_refine_diff_density_min         -03.994
_refine_ls_extinction_coef       .132(6)
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_all   1.156
_refine_ls_goodness_of_fit_obs   1.187
_refine_ls_matrix_type           full
_refine_ls_number_parameters     13
_refine_ls_number_reflns         780
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.157
_refine_ls_restrained_S_obs      1.187
_refine_ls_R_factor_all          0.0324
_refine_ls_R_factor_obs          .0272
_refine_ls_shift/esd_max         .001
_refine_ls_shift/esd_mean        0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_scheme
;
w = 1/[\s^2^(F~o~^2^) + (0.0317P)^2^ + 0.2075P]
where P = (F~o~^2^ + 2F~c~^2^)/3
;
_refine_ls_wR_factor_all         .0679
_refine_ls_wR_factor_obs         .0662
_reflns_number_observed          706
_reflns_number_total             781
_reflns_observed_criterion       >2\s~I~
_cod_data_source_file            jz1003.cif
_cod_data_source_block           SrLaGaO~4~
_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 (5
times).

'_geom_angle_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 (15 times).

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        188.45(3)
_cod_database_code               2004007