Ca~1.5~Eu~3~Sn~0.5~O~7~: a calcium europium tin oxide with a novel structure
Yusuke Kaminaga; Takahiro Yamada; Yamane, Hisanori; Acta Crystallographica Section C 63 (2007) i10–i12; doi:10.1107/S0108270106039916

data_2015730
_publ_section_title
;
 Ca~1.5~Eu~3~Sn~0.5~O~7~: a calcium europium tin oxide with a novel
 structure
;
_journal_coeditor_code           FA3035
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              i10
_journal_page_last               i12
_journal_paper_doi               10.1107/S0108270106039916
_journal_volume                  63
_journal_year                    2007
_chemical_formula_moiety         'Ca1.5 Eu3 O7 Sn0.5'
_chemical_formula_sum            'Ca1.5 Eu3 O7 Sn0.5'
_chemical_formula_weight         687.35
_chemical_name_common            'calcium europium tin oxide'
_chemical_name_systematic
;
calcium europium tin heptaoxide
;
_space_group_IT_number           12
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL97
_cell_angle_alpha                90.0
_cell_angle_beta                 107.9150(14)
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   22.8628(11)
_cell_length_b                   3.6294(2)
_cell_length_c                   9.0610(4)
_cell_measurement_reflns_used    1000
_cell_measurement_temperature    296.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.1
_cell_volume                     715.41(6)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       'PROCESS-AUTO (Rigaku/MSC, 2005)'
_computing_data_reduction        'CrystalStructure (Rigaku/MSC, 2005)'
_computing_molecular_graphics    'ATOMS (Dowty, 1999)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR2004 (Burla <i>et al.</i>,  2005)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0592
_diffrn_reflns_av_sigmaI/netI    0.0563
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_h_min       -27
_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            3610
_diffrn_reflns_theta_full        27.41
_diffrn_reflns_theta_max         27.41
_diffrn_reflns_theta_min         3.44
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    28.749
_exptl_absorpt_correction_T_max  0.719381
_exptl_absorpt_correction_T_min  0.276139
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   '(NUMABS; Higashi, 1999)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    6.384
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platelet
_exptl_crystal_F_000             1200
_exptl_crystal_size_max          0.065
_exptl_crystal_size_mid          0.051
_exptl_crystal_size_min          0.029
_refine_diff_density_max         1.517
_refine_diff_density_min         -1.415
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.055
_refine_ls_matrix_type           full
_refine_ls_number_parameters     73
_refine_ls_number_reflns         945
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.055
_refine_ls_R_factor_all          0.0297
_refine_ls_R_factor_gt           0.0264
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[\s^2^(Fo^2^)+4.2873P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0579
_refine_ls_wR_factor_ref         0.0606
_reflns_number_gt                858
_reflns_number_total             945
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            fa3035.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

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

The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_H-M      'C 2/m'
_cod_original_formula_sum        'Ca1.50 Eu3 O7 Sn0.50'
_cod_database_code               2015730
_cod_database_fobs_code          2015730