#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/93/1529334.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1529334
loop_
_publ_author_name
'S.V. Misjul'
'M.S. Molokeev'
'L.V. Osokina'
'I.N. Saphonov'
_publ_section_title
;
 Structural Changes during Phase Transitions, Critical and Noncritical
 Order Parameters in the Elpasolite Cs2RbDyF6
;
_journal_issue                   4
_journal_name_full
'Journal of Siberian Federal University. Mathematics & Physics'
_journal_page_first              566
_journal_page_last               575
_journal_volume                  5
_journal_year                    2012
_chemical_formula_sum            'Cs2 Dy F6 Rb'
_chemical_formula_weight         627.77
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_type_scat_source
;
X-Ray Form Factor, C Attenuation and Scattering Tables (version 2.1).
NIST, Gaithersburg, MD.
;
_cell_angle_alpha                90.000000
_cell_angle_beta                 90.356(7)
_cell_angle_gamma                90.000000
_cell_formula_units_Z            2
_cell_length_a                   6.8072(8)
_cell_length_b                   6.8012(9)
_cell_length_c                   9.6379(18)
_cell_volume                     446.20(11)
_diffrn_radiation_probe          x-ray
_exptl_crystal_density_diffrn    4.6742
_pd_meas_2theta_range_inc        0.0161
_pd_meas_2theta_range_max        109.9000
_pd_meas_2theta_range_min        5.0000
_pd_proc_ls_prof_wR_expected     0.05155
_pd_proc_ls_prof_wR_factor       0.11835
_refine_ls_R_factor_all          0.09221
_refine_ls_R_I_factor            0.04844
_refine_ls_shift/su_max          1.81795
_cod_data_source_file            Cs2RbDyF6_133K.cif
_cod_data_source_block           b
_cod_original_sg_symbol_Hall     '-P 2YN              '
_cod_original_sg_symbol_H-M      'P 21/n              '
_cod_original_formula_sum        'Cs2 Dy F6 Rb '
_cod_database_code               1529334
_cod_database_fobs_code          1529334
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
2 '1/2-x, 1/2+y, 1/2-z'
3 '-x, -y, -z'
4 '1/2+x, 1/2-y, 1/2+z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_occupancy
_atom_site_adp_type
Rb1 Rb 0.00000 0.00000 0.50000 0.0080(38) 1.0000 Uiso
Cs1 Cs 0.4965(18) 0.0094(7) 0.2492(23) 0.0162(21) 1.0000 Uiso
Dy1 Dy 0.00000 0.00000 0.00000 0.0043(23) 1.0000 Uiso
F1 F -0.103(6) -0.009(7) -0.209(6) 0.0127 1.0000 Uiso
F2 F 0.267(13) 0.225(13) -0.002(12) 0.0127 1.0000 Uiso
F3 F 0.217(9) -0.193(14) -0.052(10) 0.0127 1.0000 Uiso
loop_
_atom_type_symbol
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
Rb -0.49002 1.60052
Cs -0.95298 7.88228
Dy -10.54479 9.89092
F 0.06798 0.05302
loop_
_diffrn_radiation_wavelength
_diffrn_radiation_wavelength_wt
1.5406 1.0000
1.5443 0.5000
