Two Isotypic Transition Metal Germanophosphates <i>M</i>^II^~4~(H~2~O)~4~[Ge(OH)~2~(HPO~4~)~2~(PO~4~)~2~] (<i>M</i>^II^ = Fe, Co): Synthesis, Structure, Mössbauer Spectroscopy, and Magnetic Properties
Ya-Xi Huang; Xin Zhang; Xuan Huang; Walter Schnelle; Jun Lin; Jin-Xiao Mi; Mei-Bo Tang; Jing-Tai Zhao; Inorganic Chemistry 51 (2012) 3316–3323; doi:10.1021/ic202773p

data_4328597
_publ_contact_author_address
;
Department of Materials Science and Engineering
College of Materials,
Xiamen University,
Xiamen 361005, Fujian Province
People's Republic of China
;
_publ_contact_author_email       yaxihuang@xmu.edu.cn
_publ_contact_author_fax         0086-592-2183937
_publ_contact_author_name        'Dr. Ya-Xi Huang'
_publ_contact_author_phone       0086-13950175872
_publ_section_title
;
 Two Isotypic Transition Metal Germanophosphates
 <i>M</i>^II^~4~(H~2~O)~4~[Ge(OH)~2~(HPO~4~)~2~(PO~4~)~2~] (<i>M</i>^II^ =
 Fe, Co): Synthesis, Structure, M\"ossbauer Spectroscopy, and Magnetic
 Properties
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3316
_journal_page_last               3323
_journal_paper_doi               10.1021/ic202773p
_journal_volume                  51
_journal_year                    2012
_chemical_formula_moiety         'Co4 Ge H12 O22 P4'
_chemical_formula_sum            'Co4 Ge H12 O22 P4'
_chemical_formula_weight         796.29
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 97.804(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   6.4328(5)
_cell_length_b                   16.2672(15)
_cell_length_c                   7.5154(6)
_cell_measurement_reflns_used    1778
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      27.45
_cell_measurement_theta_min      3.01
_cell_volume                     779.16(11)
_computing_cell_refinement       'Rapid auto ver 4.2'
_computing_data_collection       'Rapid auto ver 4.2'
_computing_data_reduction        'Rapid auto ver 4.2'
_computing_molecular_graphics    'DIAMOND (Brandenburg, 1996-2001)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Rigaku R-axis Rapid-R'
_diffrn_measurement_method       \w
_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  0.0427
_diffrn_reflns_av_sigmaI/netI    0.0347
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            7394
_diffrn_reflns_theta_full        27.45
_diffrn_reflns_theta_max         27.45
_diffrn_reflns_theta_min         3.01
_exptl_absorpt_coefficient_mu    6.618
_exptl_absorpt_correction_T_max  0.718
_exptl_absorpt_correction_T_min  0.679
_exptl_absorpt_correction_type   numerical
_exptl_crystal_colour            purple
_exptl_crystal_density_diffrn    3.394
_exptl_crystal_description       'pseudo octahedra'
_exptl_crystal_F_000             776
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.773
_refine_diff_density_min         -0.719
_refine_diff_density_rms         0.160
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.209
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     158
_refine_ls_number_reflns         1778
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.207
_refine_ls_R_factor_all          0.0360
_refine_ls_R_factor_gt           0.0306
_refine_ls_shift/su_max          0.010
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0115P)^2^+4.7185P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0726
_refine_ls_wR_factor_ref         0.0752
_reflns_number_gt                1591
_reflns_number_total             1778
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic202773p_si_003.cif
_cod_data_source_block           cogepo
_cod_database_code               4328597