Synthesis, structure and lithium-ion conductivity of Li2?2xMg2+x(MoO4)3 and Li3M(MoO4)3 (MIII = Cr, Fe)Electronic supplementary information (ESI) available: anisotropic displacement parameters and XRPD data for Li2Mg2(MoO4)3. See http://www.rsc.org/suppdata/jm/b3/b301189e/
Sebastian, Litty; Piffard, Y.; Shukla, A. K.; Taulelle, F.; Gopalakrishnan, J.; Journal of Materials Chemistry 13 (2003) 1797–; doi:10.1039/b301189e

data_7204606
_publ_section_title
;
 Synthesis, structure and lithium-ion conductivity of
 Li2?2xMg2+x(MoO4)3 and Li3M(MoO4)3 (MIII = Cr, Fe)Electronic
 supplementary information (ESI) available: anisotropic displacement
 parameters and XRPD data for Li2Mg2(MoO4)3. See
 http://www.rsc.org/suppdata/jm/b3/b301189e/
;
_journal_issue                   7
_journal_name_full               'Journal of Materials Chemistry'
_journal_page_first              1797
_journal_paper_doi               10.1039/b301189e
_journal_volume                  13
_journal_year                    2003
_chemical_formula_sum            'Li2 Mg2 Mo3 O12'
_chemical_formula_weight         539.3
_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'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.1167
_cell_length_b                   10.4646
_cell_length_c                   17.6228
_cell_measurement_pressure       normal
_cell_measurement_radiation      'Cu K\a1'
_cell_measurement_reflns_used    'full pattern matching'
_cell_measurement_temperature    293
_cell_measurement_theta_max      114.6
_cell_measurement_theta_min      8.0
_cell_measurement_wavelength     1.540598
_cell_volume                     943.599
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  CAD4
_diffrn_measurement_method       \q/2\q
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0343
_diffrn_reflns_av_sigmaI/netI    0.0474
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -1
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -1
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -1
_diffrn_reflns_number            3472
_diffrn_reflns_theta_max         37.93
_diffrn_reflns_theta_min         2.27
_diffrn_standards_decay_%        0.2
_diffrn_standards_interval_time  3600
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    4.122
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  1.000
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      3.798
_exptl_crystal_description       parallelepiped
_exptl_crystal_F_000             1008
_exptl_crystal_size_max          0.17
_exptl_crystal_size_mid          0.045
_exptl_crystal_size_min          0.045
_refine_diff_density_max         2.60
_refine_diff_density_min         -2.35
_refine_ls_extinction_coef       0.026(1)
_refine_ls_extinction_method     'B-C type 1 Lorentzian isotropic'
_refine_ls_goodness_of_fit_all   1.70
_refine_ls_goodness_of_fit_obs   1.43
_refine_ls_number_parameters     85
_refine_ls_number_reflns         2645
_refine_ls_R_factor_all          0.0660
_refine_ls_R_factor_gt           0.0308
_refine_ls_shift/esd_max         0.0006
_refine_ls_shift/esd_mean        0.0001
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     w=1/\s^2^(F)
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_all         0.0251
_refine_ls_wR_factor_gt          0.0240
_reflns_limit_h_max              8
_reflns_limit_h_min              0
_reflns_limit_k_max              18
_reflns_limit_k_min              0
_reflns_limit_l_max              30
_reflns_limit_l_min              0
_reflns_number_observed          1740
_reflns_number_total             2645
_reflns_observed_criterion       3
_cod_data_source_file            b301189e.txt
_cod_data_source_block           Li2Mg2(MoO4)3
_cod_depositor_comments
;
The following automatic conversions were performed:
'_diffrn_radiation_probe' value 'X-ray' changed to 'x-ray' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_formula_sum        'Li2 O12 Mg2 Mo3'
_cod_database_code               7204606