The synthesis, structure and properties of a new lithium-rich manganese(ii) phosphate Li5CsMn(P2O7)2: a congruently melting compound with a 'lithium hamburger' structure.
Gao, Jianhua; Sha, Xunshan; Song, Limei; Zhao, Pan; Liu, Xi; Dalton transactions (Cambridge, England : 2003) 45 (2016) 2584–2590; doi:10.1039/c5dt04427h

data_7037686
_publ_section_title
;
 The synthesis, structure and properties of a new lithium-rich
 manganese(ii) phosphate Li5CsMn(P2O7)2: a congruently melting compound
 with a 'lithium hamburger' structure.
;
_journal_issue                   6
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              2584
_journal_page_last               2590
_journal_paper_doi               10.1039/c5dt04427h
_journal_volume                  45
_journal_year                    2016
_chemical_formula_sum            'Cs Li5 Mn O14 P4'
_chemical_formula_weight         570.43
_chemical_melting_point          969
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           60
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2n 2ab'
_symmetry_space_group_name_H-M   'P b c n'
_atom_sites_solution_hydrogens   none
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2015-11-09 deposited with the CCDC.
2015-12-16 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   5.1023(10)
_cell_length_b                   19.717(4)
_cell_length_c                   12.557(3)
_cell_measurement_temperature    293(2)
_cell_volume                     1263.3(5)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Rigaku AFC8'
_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  0.0734
_diffrn_reflns_av_sigmaI/netI    0.0334
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_h_min       -5
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            10410
_diffrn_reflns_theta_full        26.38
_diffrn_reflns_theta_max         26.38
_diffrn_reflns_theta_min         2.07
_exptl_absorpt_coefficient_mu    4.467
_exptl_absorpt_correction_T_max  0.512
_exptl_absorpt_correction_T_min  0.426
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.999
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1068
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.15
_refine_diff_density_max         1.433
_refine_diff_density_min         -2.317
_refine_diff_density_rms         0.369
_refine_ls_extinction_coef       0.0334(17)
_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   1.118
_refine_ls_hydrogen_treatment    none
_refine_ls_matrix_type           full
_refine_ls_number_parameters     118
_refine_ls_number_reflns         1297
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.115
_refine_ls_R_factor_all          0.0412
_refine_ls_R_factor_gt           0.0402
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0627P)^2^+3.1218P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1059
_refine_ls_wR_factor_ref         0.1065
_reflns_number_gt                1249
_reflns_number_total             1299
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c5dt04427h1.cif
_cod_data_source_block           lcmpo
_cod_depositor_comments          'Adding full bibliography for 7037686.cif.'
_cod_original_cell_volume        1263.2(4)
_cod_original_sg_symbol_H-M      Pbcn
_cod_database_code               7037686