Enhanced Néel Temperature in EuSnP under Pressure
Gui, Xin; Finkelstein, Gregory; Graf, David; Wei, Kaya; Zhang, Dongzhou; Baumbach, Ryan; Dera, Przemslaw; Xie, Weiwei; Dalton Transactions  (2019) –; doi:10.1039/C9DT00449A

data_7049414
_publ_section_title
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 Enhanced N\'eel Temperature in EuSnP under Pressure
;
_journal_name_full               'Dalton Transactions'
_journal_paper_doi               10.1039/C9DT00449A
_journal_year                    2019
_chemical_formula_sum            'Eu P Sn'
_chemical_formula_weight         301.62
_chemical_name_systematic
;
 ?
;
_space_group_crystal_system      tetragonal
_space_group_IT_number           129
_space_group_name_Hall           '-P 4a 2a'
_space_group_name_H-M_alt        'P 4/n m m'
_symmetry_space_group_name_Hall  '-P 4a 2a'
_symmetry_space_group_name_H-M   'P 4/n m m :2'
_audit_creation_method           SHELXL-2013
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   4.2229(6)
_cell_length_b                   4.2229(6)
_cell_length_c                   8.6314(17)
_cell_measurement_reflns_used    703
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      38.971
_cell_measurement_theta_min      2.360
_cell_volume                     153.92(4)
_computing_cell_refinement       GSE_ADA/RSV
_computing_data_collection       GSE_ADA/RSV
_computing_data_reduction        GSE_ADA/RSV
_computing_molecular_graphics    GSE_ADA/RSV
_computing_publication_material  GSE_ADA/RSV
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.852
_diffrn_measured_fraction_theta_max 0.523
_diffrn_measurement_device_type  'synchrotron x-ray CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.4335
_diffrn_reflns_av_R_equivalents  0.0956
_diffrn_reflns_av_unetI/netI     0.0394
_diffrn_reflns_Laue_measured_fraction_full 0.852
_diffrn_reflns_Laue_measured_fraction_max 0.523
_diffrn_reflns_limit_h_max       2
_diffrn_reflns_limit_h_min       -3
_diffrn_reflns_limit_k_max       5
_diffrn_reflns_limit_k_min       -5
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            703
_diffrn_reflns_point_group_measured_fraction_full 0.852
_diffrn_reflns_point_group_measured_fraction_max 0.523
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         38.971
_diffrn_reflns_theta_min         2.360
_exptl_absorpt_coefficient_mu    7.493
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   None
_exptl_crystal_colour            Silver
_exptl_crystal_density_diffrn    6.508
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'Not measured'
_exptl_crystal_description       Plate
_exptl_crystal_F_000             256
_exptl_crystal_size_max          0.025
_exptl_crystal_size_mid          0.020
_exptl_crystal_size_min          0.015
_exptl_transmission_factor_max   0.7434
_exptl_transmission_factor_min   0.3457
_refine_diff_density_max         4.304
_refine_diff_density_min         -4.470
_refine_diff_density_rms         0.851
_refine_ls_extinction_coef       None
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.315
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     10
_refine_ls_number_reflns         161
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.315
_refine_ls_R_factor_all          0.0544
_refine_ls_R_factor_gt           0.0544
_refine_ls_shift/su_max          0.111
_refine_ls_shift/su_mean         0.010
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0556P)^2^+19.8607P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1666
_refine_ls_wR_factor_ref         0.1666
_reflns_Friedel_coverage         0.000
_reflns_number_gt                161
_reflns_number_total             161
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c9dt00449a2.cif
_cod_data_source_block           EuSnP-p2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'None' changed to 'none'
according to
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

'_exptl_crystal_density_meas' value 'None' was changed to '?' - the
value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 4973 2017-02-22 13:04:09Z antanas 
;
_cod_original_cell_volume        153.92(5)
_cod_database_code               7049414
_shelxl_version_number           2013-4
_shelx_res_checksum              6597
_shelx_hkl_checksum              21586