Mg(H~2~PO~4~)~2~.4H~2~O
Miyake, Michihiro; Matsuda, Nobuyuki; Sato, Shoichi; Matsuda, Motohide; Nakagawa, Souhei; Ochiai, Junko; Acta Crystallographica Section C 54 (1998) 702–703; doi:10.1107/S0108270198000262

data_2007366
_publ_section_title
;
 Mg(H~2~PO~4~)~2~.4H~2~O
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              702
_journal_page_last               703
_journal_paper_doi               10.1107/S0108270198000262
_journal_volume                  54
_journal_year                    1998
_chemical_formula_iupac          'Mg (H2 P1 O4)2, 4H2 O'
_chemical_formula_moiety         'Mg H4 P2 O8, 4H2 O'
_chemical_formula_sum            'H12 Mg O12 P2'
_chemical_formula_weight         290.3
_chemical_name_systematic
' Magnesium bis (dihydrogenorthophosphate) tetrahydrate'
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                95.310(10)
_cell_angle_beta                 107.040(10)
_cell_angle_gamma                66.980(10)
_cell_formula_units_Z            2
_cell_length_a                   7.7910(10)
_cell_length_b                   9.1970(10)
_cell_length_c                   7.6880(10)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    300
_cell_measurement_theta_max      22.5
_cell_measurement_theta_min      22.3
_cell_volume                     484.60(11)
_computing_cell_refinement       'MSC/AFC Diffractometer Control Software'
_computing_data_collection
;
MSC/AFC Diffractometer Control Software (Molecular Structure
Corporation, 1988)
;
_computing_data_reduction
'TEXAN (Molecular Structure Corporation, 1992)'
_computing_molecular_graphics    'ORTEPII (Johnson, 1976)'
_computing_publication_material  TEXSAN
_computing_structure_refinement  TEXSAN
_computing_structure_solution    'DIRDIF92 (Beurskens et al., 1992)'
_diffrn_measurement_device       'Rigaku AFC-5R'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.012
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       0
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            4544
_diffrn_reflns_theta_max         35.0
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 150
_diffrn_standards_number         4
_exptl_absorpt_coefficient_mu    0.570
_exptl_absorpt_correction_T_max  0.862
_exptl_absorpt_correction_T_min  0.862
_exptl_absorpt_correction_type   spherical
_exptl_absorpt_process_details
'TEXSAN; Molecular Structure Corporation, 1992)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.990
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Spherical
_exptl_crystal_F_000             300
_exptl_crystal_size_rad          0.175
_refine_diff_density_max         0.49
_refine_diff_density_min         -0.39
_refine_ls_extinction_coef       3.0386E-5
_refine_ls_extinction_method     'Zachariasen (1967)'
_refine_ls_goodness_of_fit_ref   1.88
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     185
_refine_ls_number_reflns         3629
_refine_ls_R_factor_gt           0.022
_refine_ls_shift/su_max          0.12
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 4F~o~^2^/[\s^2^(F~o~^2^)]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.033
_reflns_number_gt                3629
_reflns_number_total             4287
_reflns_threshold_expression     I>3\s(I)
_cod_data_source_file            oh1110.cif
_cod_data_source_block           structure
_cod_original_cell_volume        484.60(10)
_cod_original_formula_sum        'Mg1 H12 P2 O12'
_cod_database_code               2007366