Two spin-canted antiferromagnetic orderings and a field-induced metamagnetic transition in SrMn<sub>2</sub>(VO<sub>4</sub>)<sub>2</sub>(H<sub>2</sub>O)<sub>2</sub>.
Zhang, Su-Yun; Guo, Wen-Bin; He, Zhang-Zhen; Dalton transactions (Cambridge, England : 2003) 48 (2018) 65–71; doi:10.1039/c8dt03860k

data_7048153
_publ_section_title
;
 Two spin-canted antiferromagnetic orderings and a field-induced
 metamagnetic transition in
 SrMn<sub>2</sub>(VO<sub>4</sub>)<sub>2</sub>(H<sub>2</sub>O)<sub>2</sub>.
;
_journal_issue                   1
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              65
_journal_page_last               71
_journal_paper_doi               10.1039/c8dt03860k
_journal_volume                  48
_journal_year                    2018
_chemical_formula_moiety         'H4 Mn2 O10 Sr V2'
_chemical_formula_sum            'H4 Mn2 O10 Sr V2'
_chemical_formula_weight         463.41
_space_group_crystal_system      monoclinic
_space_group_IT_number           12
_space_group_name_Hall           '-C 2y'
_space_group_name_H-M_alt        'C 1 2/m 1'
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2018-10-24 deposited with the CCDC.
2018-11-16 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 117.77(2)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.318(17)
_cell_length_b                   6.445(10)
_cell_length_c                   7.637(14)
_cell_measurement_reflns_used    592
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.4468
_cell_measurement_theta_min      3.0147
_cell_volume                     405.8(12)
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.975
_diffrn_measured_fraction_theta_max 0.981
_diffrn_measurement_device_type  Saturn724+
_diffrn_measurement_method       CCD_Profile_fitting
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0904
_diffrn_reflns_av_unetI/netI     0.0912
_diffrn_reflns_Laue_measured_fraction_full 0.975
_diffrn_reflns_Laue_measured_fraction_max 0.981
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       7
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_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            1670
_diffrn_reflns_point_group_measured_fraction_full 0.975
_diffrn_reflns_point_group_measured_fraction_max 0.981
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.465
_diffrn_reflns_theta_min         3.015
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    11.811
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.3307
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
Higashi, T. (1995). Program for Absorption Correction.
Rigaku Corporation, Tokyo, Japan. 
;
_exptl_crystal_colour            'dark red'
_exptl_crystal_density_diffrn    3.792
_exptl_crystal_description       block
_exptl_crystal_F_000             436
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.04
_refine_diff_density_max         1.312
_refine_diff_density_min         -1.183
_refine_diff_density_rms         0.258
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.004
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     44
_refine_ls_number_reflns         503
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.004
_refine_ls_R_factor_all          0.0636
_refine_ls_R_factor_gt           0.0493
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0274P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0937
_refine_ls_wR_factor_ref         0.1026
_reflns_Friedel_coverage         0.000
_reflns_number_gt                398
_reflns_number_total             503
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c8dt03860k2.cif
_cod_data_source_block           1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'Multi-scan' changed to
'multi-scan' 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.

Automatic conversion script
Id: cif_fix_values 4973 2017-02-22 13:04:09Z antanas 

 Adding full bibliography for 7048153.cif.
;
_cod_database_code               7048153
_shelx_shelxl_version_number     2018/3
_shelx_res_checksum              11202