High-pressure structural phase transition in MnWO4
Ruiz-Fuertes, J.; Friedrich, A.; Gomis, O.; Errandonea, D.; Morgenroth, W.; Sans, J. A.; Santamaría-Pérez, D.; Physical Review B 91 (2015) 104109–; doi:

data_1520201
_publ_section_title
;
 High-pressure structural phase transition in MnWO4
;
_journal_name_full               'Physical Review B'
_journal_page_first              104109
_journal_volume                  91
_journal_year                    2015
_chemical_formula_sum            'Mn O4 W'
_chemical_formula_weight         302.79
_chemical_name_systematic
;
 ?
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           13
_space_group_name_Hall           '-P 2yc'
_space_group_name_H-M_alt        'P 1 2/c 1'
_symmetry_space_group_name_Hall  '-P 2yc'
_symmetry_space_group_name_H-M   'P 1 2/c 1'
_atom_sites_solution_hydrogens   .
_audit_creation_method           SHELXL-2014
_cell_angle_alpha                90
_cell_angle_beta                 91.415(7)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   4.6888(6)
_cell_length_b                   5.536(6)
_cell_length_c                   4.8844(5)
_cell_measurement_temperature    293(2)
_cell_volume                     126.75(14)
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_diffrn_ambient_pressure         14400
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.366
_diffrn_measured_fraction_theta_max 0.219
_diffrn_radiation_wavelength     0.28982
_diffrn_reflns_av_R_equivalents  0.0471
_diffrn_reflns_av_unetI/netI     0.0548
_diffrn_reflns_laue_measured_fraction_max 0.219
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       3
_diffrn_reflns_limit_k_min       -4
_diffrn_reflns_limit_l_max       8
_diffrn_reflns_limit_l_min       -8
_diffrn_reflns_number            765
_diffrn_reflns_point_group_measured_fraction_max 0.219
_diffrn_reflns_theta_full        10.014
_diffrn_reflns_theta_max         18.223
_diffrn_reflns_theta_min         3.403
_exptl_absorpt_coefficient_mu    4.680
_exptl_absorpt_correction_type   empirical
_exptl_crystal_density_diffrn    7.934
_exptl_crystal_F_000             262
_refine_diff_density_max         2.429
_refine_diff_density_min         -3.315
_refine_diff_density_rms         0.494
_refine_ls_extinction_coef       0.23(3)
_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   1.084
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     20
_refine_ls_number_reflns         293
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.084
_refine_ls_R_factor_all          0.0375
_refine_ls_R_factor_gt           0.0349
_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^)+(0.0411P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0791
_refine_ls_wR_factor_ref         0.0803
_reflns_Friedel_coverage         0.000
_reflns_friedel_fraction_full    .
_reflns_friedel_fraction_max     .
_reflns_number_gt                285
_reflns_number_total             293
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            Phys-Rev-B-104109-2.cif
_cod_data_source_block           14.4GPa
_cod_original_cell_volume        126.74(14)
_cod_database_code               1520201