#------------------------------------------------------------------------------
#$Date: 2016-02-18 16:37:37 +0100 (jue 18 de feb de 2016) $
#$Revision: 176729 $
#$URL: svn://www.crystallography.net/cod/cif/1/51/80/1518044.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_1518044
loop_
_publ_author_name
'Merlo, F'
_publ_section_title
;
 The crystal structure of Sr2Pb3 and Sr3Pb5'
;
_journal_name_full               'Revue de Chimie Minerale'
_journal_page_first              78
_journal_page_last               84
_journal_volume                  21
_journal_year                    1984
_chemical_formula_sum            'Pb5 Sr3'
_chemical_formula_weight         1298.86
_space_group_IT_number           127
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      127
_symmetry_space_group_name_Hall  '-P 4 2ab'
_symmetry_space_group_name_H-M   'P 4/m b m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            5
_cell_length_a                   16.17(2)
_cell_length_b                   16.17(2)
_cell_length_c                   4.886(3)
_cell_volume                     1278(2)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    91.613
_exptl_crystal_density_diffrn    7.931
_exptl_crystal_F_000             2462
_refine_ls_number_reflns         858
_refine_ls_R_factor_gt           0.049
_refine_ls_wR_factor_gt          0.052
_cod_data_source_file            RCM-1984-21-78-84-2.cif
_cod_data_source_block           Sr3Pb5
_cod_original_cell_volume        200
_cod_database_code               1518044
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -y,x,z
3 -x,-y,z
4 y,-x,z
5 1/2+x,1/2-y,-z
6 1/2+y,1/2+x,-z
7 1/2-x,1/2+y,-z
8 1/2-y,1/2-x,-z
9 -x,-y,-z
10 y,-x,-z
11 x,y,-z
12 -y,x,-z
13 1/2-x,1/2+y,z
14 1/2-y,1/2-x,z
15 1/2+x,1/2-y,z
16 1/2+y,1/2+x,z
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Pb1 0.038(4) 0.040(4) 0.019(3) 0.0000 0.0000 -0.017(5)
Pb2 0.044(5) 0.085(7) 0.022(4) 0.0000 0.0000 -0.005(5)
Pb3 0.060(5) 0.060(5) 0.033(4) 0.0000 0.0000 0.036(7)
Pb4 0.048(7) 0.048(7) 0.030(8) 0.0000 0.0000 0.0000
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_thermal_displace_type
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Pb1 Pb Uani 0.1714(5) 0.1134(4) 0.50000 1.000 0.032(2)
Pb2 Pb Uani 0.4758(6) 0.1598(6) 0.50000 1.000 0.050(3)
Pb3 Pb Uani 0.3088(5) 0.8088(5) 0.50000 1.000 0.051(3)
Pb4 Pb Uani 0.00000 0.00000 0.50000 1.000 0.042(4)
Pb5 Pb Uiso 0.3942(10) 0.8942(10) 0.00000 0.38(4) 0.023(4)
Sr3 Sr Uiso 0.4522(16) 0.9522(16) 0.00000 0.52(12) 0.019(9)
Sr1 Sr Uiso 0.0402(9) 0.1789(14) 0.00000 1.000 0.040(4)
Sr2 Sr Uiso 0.1923(9) 0.6923(9) 0.00000 1.000 0.022(5)
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Pb Pb -3.3944 10.1111 ' International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sr Sr -1.5307 3.2498 ' International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
