#------------------------------------------------------------------------------
#$Date: 2016-03-23 21:14:58 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179445 $
#$URL: svn://www.crystallography.net/cod/cif/4/33/42/4334240.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_4334240
loop_
_publ_author_name
'Xiaowei Ma'
'Jun Lu'
'Jeffrey B. Whalen'
'Susan E. Latturner'
_publ_contact_author_address
;
 Department of Chemistry and Biochemistry
 Florida State University
 Tallahassee, FL  32306
;
_publ_contact_author_email       latturne@chem.fsu.edu
_publ_contact_author_fax         8506448281
_publ_contact_author_name        'Prof. Susan E. Latturner'
_publ_contact_author_phone       8506444047
_publ_section_title
;
 Flux Growth and Magnetoresistance Behavior of Rare Earth Zintl Phase
 EuMgSn
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3342
_journal_page_last               3348
_journal_paper_doi               10.1021/ic302828p
_journal_volume                  52
_journal_year                    2013
_chemical_formula_sum            'Eu Mg Sn'
_chemical_formula_weight         294.96
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_atom_sites_solution_hydrogens   none
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.0849(7)
_cell_length_b                   4.8517(4)
_cell_length_c                   8.7504(8)
_cell_measurement_temperature    290(2)
_cell_volume                     343.24(5)
_computing_cell_refinement       'Saint (Bruker, 2008)'
_computing_data_collection       'APEX2 (Bruker, 2008)'
_computing_data_reduction        'Saint (Bruker, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      290(2)
_diffrn_measured_fraction_theta_full 0.954
_diffrn_measured_fraction_theta_max 0.954
_diffrn_measurement_device_type  'Bruker APEX-II CCD area-detector'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0232
_diffrn_reflns_av_sigmaI/netI    0.0145
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       6
_diffrn_reflns_limit_k_min       -6
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            3587
_diffrn_reflns_theta_full        28.28
_diffrn_reflns_theta_max         28.28
_diffrn_reflns_theta_min         3.43
_exptl_absorpt_coefficient_mu    25.259
_exptl_absorpt_correction_T_max  0.603
_exptl_absorpt_correction_T_min  0.419
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker, 2008)'
_exptl_crystal_colour            silver
_exptl_crystal_density_diffrn    5.708
_exptl_crystal_description       rod
_exptl_crystal_F_000             500
_exptl_crystal_size_max          0.04
_exptl_crystal_size_mid          0.03
_exptl_crystal_size_min          0.02
_refine_diff_density_max         0.830
_refine_diff_density_min         -1.128
_refine_diff_density_rms         0.258
_refine_ls_extinction_coef       0.0133(4)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.138
_refine_ls_hydrogen_treatment    none
_refine_ls_matrix_type           full
_refine_ls_number_parameters     20
_refine_ls_number_reflns         458
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.138
_refine_ls_R_factor_all          0.0142
_refine_ls_R_factor_gt           0.0137
_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/[σ²(Fo²)+(0.0155P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0290
_refine_ls_wR_factor_ref         0.0291
_reflns_number_gt                449
_reflns_number_total             458
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic302828p_si_002.cif
_cod_data_source_block           eumgsn
_cod_database_code               4334240
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z'
'x+1/2, -y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'x, -y-1/2, z'
'-x-1/2, y-1/2, z-1/2'
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_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Eu1 Eu 0.01061(3) 0.2500 0.69129(2) 0.01322(10) Uani 1 2 d S
Sn2 Sn 0.27654(3) 0.2500 0.39392(3) 0.01135(11) Uani 1 2 d S
Mg3 Mg 0.15234(18) 0.2500 0.06949(17) 0.0143(3) Uani 1 2 d S
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Mg Mg 0.0486 0.0363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sn Sn -0.6537 1.4246 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Eu Eu -0.1578 3.6682 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
Sn2 Eu1 Sn2 105.237(8) . 5_556
Sn2 Eu1 Sn2 105.237(8) . 5_566
Sn2 Eu1 Sn2 89.706(10) 5_556 5_566
Sn2 Eu1 Sn2 94.484(7) . 2_565
Sn2 Eu1 Sn2 160.146(8) 5_556 2_565
Sn2 Eu1 Sn2 87.269(7) 5_566 2_565
Sn2 Eu1 Sn2 94.484(7) . 2
Sn2 Eu1 Sn2 87.269(7) 5_556 2
Sn2 Eu1 Sn2 160.146(8) 5_566 2
Sn2 Eu1 Sn2 88.945(10) 2_565 2
Sn2 Eu1 Mg3 135.074(17) . 5_566
Sn2 Eu1 Mg3 111.60(2) 5_556 5_566
Sn2 Eu1 Mg3 51.72(2) 5_566 5_566
Sn2 Eu1 Mg3 52.34(2) 2_565 5_566
Sn2 Eu1 Mg3 111.72(2) 2 5_566
Sn2 Eu1 Mg3 135.074(17) . 5_556
Sn2 Eu1 Mg3 51.72(2) 5_556 5_556
Sn2 Eu1 Mg3 111.60(2) 5_566 5_556
Sn2 Eu1 Mg3 111.72(2) 2_565 5_556
Sn2 Eu1 Mg3 52.34(2) 2 5_556
Mg3 Eu1 Mg3 88.89(3) 5_566 5_556
Sn2 Eu1 Mg3 121.34(3) . 1_556
Sn2 Eu1 Mg3 115.195(17) 5_556 1_556
Sn2 Eu1 Mg3 115.195(17) 5_566 1_556
Sn2 Eu1 Mg3 49.723(11) 2_565 1_556
Sn2 Eu1 Mg3 49.723(11) 2 1_556
Mg3 Eu1 Mg3 63.48(3) 5_566 1_556
Mg3 Eu1 Mg3 63.48(3) 5_556 1_556
Sn2 Eu1 Mg3 91.33(2) . 6_556
Sn2 Eu1 Mg3 48.368(9) 5_556 6_556
Sn2 Eu1 Mg3 48.368(9) 5_566 6_556
Sn2 Eu1 Mg3 135.014(6) 2_565 6_556
Sn2 Eu1 Mg3 135.014(6) 2 6_556
Mg3 Eu1 Mg3 94.313(11) 5_566 6_556
Mg3 Eu1 Mg3 94.313(11) 5_556 6_556
Mg3 Eu1 Mg3 147.33(4) 1_556 6_556
Sn2 Eu1 Mg3 47.713(19) . 2_565
Sn2 Eu1 Mg3 150.84(2) 5_556 2_565
Sn2 Eu1 Mg3 88.451(18) 5_566 2_565
Sn2 Eu1 Mg3 48.71(2) 2_565 2_565
Sn2 Eu1 Mg3 103.56(2) 2 2_565
Mg3 Eu1 Mg3 89.72(2) 5_566 2_565
Mg3 Eu1 Mg3 152.75(3) 5_556 2_565
Mg3 Eu1 Mg3 91.742(19) 1_556 2_565
Mg3 Eu1 Mg3 112.93(2) 6_556 2_565
Sn2 Eu1 Mg3 47.713(19) . 2
Sn2 Eu1 Mg3 88.451(17) 5_556 2
Sn2 Eu1 Mg3 150.84(2) 5_566 2
Sn2 Eu1 Mg3 103.56(2) 2_565 2
Sn2 Eu1 Mg3 48.71(2) 2 2
Mg3 Eu1 Mg3 152.75(3) 5_566 2
Mg3 Eu1 Mg3 89.72(2) 5_556 2
Mg3 Eu1 Mg3 91.742(19) 1_556 2
Mg3 Eu1 Mg3 112.93(2) 6_556 2
Mg3 Eu1 Mg3 79.32(3) 2_565 2
Sn2 Eu1 Eu1 53.323(7) . 5_556
Sn2 Eu1 Eu1 51.913(6) 5_556 5_556
Sn2 Eu1 Eu1 102.129(9) 5_566 5_556
Sn2 Eu1 Eu1 147.737(10) 2_565 5_556
Sn2 Eu1 Eu1 91.385(7) 2 5_556
Mg3 Eu1 Eu1 152.08(3) 5_566 5_556
Mg3 Eu1 Eu1 93.59(2) 5_556 5_556
Mg3 Eu1 Eu1 141.086(11) 1_556 5_556
Mg3 Eu1 Eu1 57.776(18) 6_556 5_556
Mg3 Eu1 Eu1 100.20(2) 2_565 5_556
Mg3 Eu1 Eu1 55.16(2) 2 5_556
Mg3 Sn2 Mg3 111.87(5) 2_565 2
Mg3 Sn2 Mg3 124.06(2) 2_565 .
Mg3 Sn2 Mg3 124.06(2) 2 .
Mg3 Sn2 Mg3 75.51(3) 2_565 6_656
Mg3 Sn2 Mg3 75.51(3) 2 6_656
Mg3 Sn2 Mg3 115.49(4) . 6_656
Mg3 Sn2 Eu1 73.78(3) 2_565 .
Mg3 Sn2 Eu1 73.78(3) 2 .
Mg3 Sn2 Eu1 120.96(3) . .
Mg3 Sn2 Eu1 123.55(3) 6_656 .
Mg3 Sn2 Eu1 146.15(3) 2_565 5_556
Mg3 Sn2 Eu1 70.25(3) 2 5_556
Mg3 Sn2 Eu1 64.567(18) . 5_556
Mg3 Sn2 Eu1 133.944(8) 6_656 5_556
Eu1 Sn2 Eu1 74.764(8) . 5_556
Mg3 Sn2 Eu1 70.25(3) 2_565 5_566
Mg3 Sn2 Eu1 146.15(3) 2 5_566
Mg3 Sn2 Eu1 64.567(18) . 5_566
Mg3 Sn2 Eu1 133.944(8) 6_656 5_566
Eu1 Sn2 Eu1 74.764(8) . 5_566
Eu1 Sn2 Eu1 89.706(10) 5_556 5_566
Mg3 Sn2 Eu1 138.71(3) 2_565 2_554
Mg3 Sn2 Eu1 65.84(3) 2 2_554
Mg3 Sn2 Eu1 71.52(2) . 2_554
Mg3 Sn2 Eu1 63.858(18) 6_656 2_554
Eu1 Sn2 Eu1 135.341(5) . 2_554
Eu1 Sn2 Eu1 74.356(6) 5_556 2_554
Eu1 Sn2 Eu1 135.935(10) 5_566 2_554
Mg3 Sn2 Eu1 65.84(3) 2_565 2_564
Mg3 Sn2 Eu1 138.71(3) 2 2_564
Mg3 Sn2 Eu1 71.52(2) . 2_564
Mg3 Sn2 Eu1 63.858(18) 6_656 2_564
Eu1 Sn2 Eu1 135.341(5) . 2_564
Eu1 Sn2 Eu1 135.935(10) 5_556 2_564
Eu1 Sn2 Eu1 74.356(6) 5_566 2_564
Eu1 Sn2 Eu1 88.945(10) 2_554 2_564
Sn2 Mg3 Sn2 111.87(5) 2_554 2_564
Sn2 Mg3 Sn2 115.41(3) 2_554 .
Sn2 Mg3 Sn2 115.41(3) 2_564 .
Sn2 Mg3 Sn2 104.49(3) 2_554 6_556
Sn2 Mg3 Sn2 104.49(3) 2_564 6_556
Sn2 Mg3 Sn2 103.46(4) . 6_556
Sn2 Mg3 Eu1 166.34(4) 2_554 5_566
Sn2 Mg3 Eu1 79.140(11) 2_564 5_566
Sn2 Mg3 Eu1 63.71(3) . 5_566
Sn2 Mg3 Eu1 63.80(2) 6_556 5_566
Sn2 Mg3 Eu1 79.140(11) 2_554 5_556
Sn2 Mg3 Eu1 166.34(4) 2_564 5_556
Sn2 Mg3 Eu1 63.71(3) . 5_556
Sn2 Mg3 Eu1 63.80(2) 6_556 5_556
Eu1 Mg3 Eu1 88.89(3) 5_566 5_556
Sn2 Mg3 Eu1 64.44(3) 2_554 1_554
Sn2 Mg3 Eu1 64.44(3) 2_564 1_554
Sn2 Mg3 Eu1 179.62(5) . 1_554
Sn2 Mg3 Eu1 76.92(3) 6_556 1_554
Eu1 Mg3 Eu1 116.52(3) 5_566 1_554
Eu1 Mg3 Eu1 116.52(3) 5_556 1_554
Sn2 Mg3 Mg3 53.81(2) 2_554 5
Sn2 Mg3 Mg3 120.41(6) 2_564 5
Sn2 Mg3 Mg3 122.48(5) . 5
Sn2 Mg3 Mg3 50.68(4) 6_556 5
Eu1 Mg3 Mg3 114.10(6) 5_566 5
Eu1 Mg3 Mg3 58.76(3) 5_556 5
Eu1 Mg3 Mg3 57.76(4) 1_554 5
Sn2 Mg3 Mg3 120.41(6) 2_554 5_565
Sn2 Mg3 Mg3 53.81(2) 2_564 5_565
Sn2 Mg3 Mg3 122.48(5) . 5_565
Sn2 Mg3 Mg3 50.68(4) 6_556 5_565
Eu1 Mg3 Mg3 58.76(3) 5_566 5_565
Eu1 Mg3 Mg3 114.10(6) 5_556 5_565
Eu1 Mg3 Mg3 57.76(4) 1_554 5_565
Mg3 Mg3 Mg3 82.89(6) 5 5_565
Sn2 Mg3 Eu1 61.39(3) 2_554 6_656
Sn2 Mg3 Eu1 61.39(3) 2_564 6_656
Sn2 Mg3 Eu1 108.75(4) . 6_656
Sn2 Mg3 Eu1 147.78(5) 6_556 6_656
Eu1 Mg3 Eu1 132.27(2) 5_566 6_656
Eu1 Mg3 Eu1 132.27(2) 5_556 6_656
Eu1 Mg3 Eu1 70.87(3) 1_554 6_656
Mg3 Mg3 Eu1 108.82(5) 5 6_656
Mg3 Mg3 Eu1 108.82(5) 5_565 6_656
Sn2 Mg3 Eu1 122.35(4) 2_554 2_564
Sn2 Mg3 Eu1 58.508(18) 2_564 2_564
Sn2 Mg3 Eu1 59.77(2) . 2_564
Sn2 Mg3 Eu1 133.13(3) 6_556 2_564
Eu1 Mg3 Eu1 69.897(17) 5_566 2_564
Eu1 Mg3 Eu1 123.37(4) 5_556 2_564
Eu1 Mg3 Eu1 119.97(3) 1_554 2_564
Mg3 Mg3 Eu1 175.86(6) 5 2_564
Mg3 Mg3 Eu1 98.771(18) 5_565 2_564
Eu1 Mg3 Eu1 67.07(2) 6_656 2_564
Sn2 Mg3 Eu1 58.508(18) 2_554 2_554
Sn2 Mg3 Eu1 122.35(4) 2_564 2_554
Sn2 Mg3 Eu1 59.77(2) . 2_554
Sn2 Mg3 Eu1 133.13(3) 6_556 2_554
Eu1 Mg3 Eu1 123.37(4) 5_566 2_554
Eu1 Mg3 Eu1 69.897(17) 5_556 2_554
Eu1 Mg3 Eu1 119.97(3) 1_554 2_554
Mg3 Mg3 Eu1 98.771(18) 5 2_554
Mg3 Mg3 Eu1 175.86(6) 5_565 2_554
Eu1 Mg3 Eu1 67.07(2) 6_656 2_554
Eu1 Mg3 Eu1 79.32(3) 2_564 2_554
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Eu1 Sn2 3.3754(4) .
Eu1 Sn2 3.4395(3) 5_556
Eu1 Sn2 3.4395(3) 5_566
Eu1 Sn2 3.4627(3) 2_565
Eu1 Sn2 3.4627(3) 2
Eu1 Mg3 3.4644(11) 5_566
Eu1 Mg3 3.4644(11) 5_556
Eu1 Mg3 3.5022(15) 1_556
Eu1 Mg3 3.6874(15) 6_556
Eu1 Mg3 3.8008(12) 2_565
Eu1 Mg3 3.8008(11) 2
Eu1 Eu1 4.1378(4) 5_556
Sn2 Mg3 2.9284(9) 2_565
Sn2 Mg3 2.9284(9) 2
Sn2 Mg3 3.0113(15) .
Sn2 Mg3 3.0552(15) 6_656
Sn2 Eu1 3.4395(3) 5_556
Sn2 Eu1 3.4395(3) 5_566
Sn2 Eu1 3.4627(3) 2_554
Sn2 Eu1 3.4627(3) 2_564
Mg3 Sn2 2.9284(9) 2_554
Mg3 Sn2 2.9284(9) 2_564
Mg3 Sn2 3.0552(15) 6_556
Mg3 Eu1 3.4644(11) 5_566
Mg3 Eu1 3.4644(11) 5_556
Mg3 Eu1 3.5021(15) 1_554
Mg3 Mg3 3.665(2) 5
Mg3 Mg3 3.665(2) 5_565
Mg3 Eu1 3.6874(15) 6_656
Mg3 Eu1 3.8009(11) 2_564
Mg3 Eu1 3.8009(11) 2_554
