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#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: svn://www.crystallography.net/cod/cif/2/00/95/2009516.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2009516
loop_
_publ_author_name
'Isobe, M.'
'Kimizuka, N.'
'Nakamura, M.'
'Mohri, T.'
_publ_section_title
;
 Structures of LuFeO₃(ZnO)ₘ (m =1, 4, 5 and 6)
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              332
_journal_page_last               336
_journal_paper_doi               10.1107/S0108270193008108
_journal_volume                  50
_journal_year                    1994
_chemical_formula_moiety         'Lu1 Fe1 O3, O1 Zn1'
_chemical_formula_sum            'Fe Lu O4 Zn'
_chemical_formula_weight         360.19
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m'
_cell_angle_alpha                90.
_cell_angle_beta                 90.
_cell_angle_gamma                120.
_cell_formula_units_Z            3
_cell_length_a                   3.41850(10)
_cell_length_b                   3.41850(10)
_cell_length_c                   25.463(3)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    295
_cell_measurement_theta_max      48
_cell_measurement_theta_min      39
_cell_volume                     257.70(3)
_diffrn_measurement_device       'Enraf-Nonius CAD-4'
_diffrn_measurement_method       ω/2θ
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       61
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            558
_diffrn_reflns_theta_max         60
_diffrn_standards_decay_%        -0.2
_diffrn_standards_interval_time  240
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    39.70
_exptl_absorpt_correction_T_max  0.144
_exptl_absorpt_correction_T_min  0.066
_exptl_absorpt_correction_type   sphere
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    6.96
_exptl_crystal_description       Sphere
_exptl_crystal_size_rad          0.0525
_refine_diff_density_max         7.9
_refine_diff_density_min         -11.9
_refine_ls_extinction_coef       7.0E-6(1)
_refine_ls_extinction_method     applied
_refine_ls_goodness_of_fit_obs   2.3
_refine_ls_number_parameters     13
_refine_ls_number_reflns         484
_refine_ls_R_factor_obs          0.036
_refine_ls_shift/esd_max         0.01
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      unit
_refine_ls_wR_factor_obs         0.036
_reflns_number_observed          484
_reflns_number_total             558
_reflns_observed_criterion       I>1.5\s(I)
_cod_data_source_file            as1025.cif
_cod_data_source_block           as1025_structure_1_of_4
_cod_original_cell_volume        257.71(3)
_cod_original_formula_sum        'Lu1 Fe1 O4 Zn1'
_cod_database_code               2009516
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_occupancy
Lu .0 .0 .0 0.01840(10) 1
Zn(1) .0 .0 .21564(3) 0.00840(10) 0.5
Fe(1) .0 .0 .21564(3) 0.00840(10) 0.5
O(1) .0 .0 .1287(3) 0.0220(10) 1
O(2) .0 .0 .2923(2) 0.0130(10) 1
