data_2003594
_journal_name_full    'Acta Crystallographica'
_journal_year         1995
_journal_volume    	C51
_journal_page_first    	1038
_journal_page_last    	1040
_publ_section_title    	
;
Na~2~O~2~.8H~2~O \\dag Dedicated to Mr. R. M. Schulze on the occasion
of his 65th birthday.
;
_chemical_formula_sum    	'H16 Na2 O10'
_chemical_formula_weight    	222.10
loop_
    _symmetry_equiv_pos_as_xyz
    'x,y,z'
    'x,-y,1/2+z'
    '-x,-y,-z'
    '-x,y,1/2-z'
    '1/2+x,1/2+y,z'
    '1/2+x,1/2-y,1/2+z'
    '1/2-x,1/2-y,-z'
    '1/2-x,1/2+y,1/2-z'
_symmetry_space_group_name_H-M    	'C 2/c'
_cell_length_a    	14.351(3)
_cell_length_b    	6.468(1)
_cell_length_c    	11.498(2)
_cell_angle_alpha    	90
_cell_angle_beta    	118.42(1)
_cell_angle_gamma    	90
_cell_volume    	938.6(3)
_cell_formula_units_Z    	4
_exptl_crystal_density_diffrn    	1.572
_exptl_crystal_density_meas    	?
_diffrn_radiation_type    	'MoK\a'
_diffrn_radiation_wavelength    	0.71073
_cell_measurement_reflns_used    	25
_cell_measurement_theta_min    	11.08
_cell_measurement_theta_max    	18.56
_exptl_absorpt_coefficient_mu    	0.242
_cell_measurement_temperature    	293
_exptl_crystal_description    	'irregular'
_exptl_crystal_size_max    	0.4
_exptl_crystal_size_mid    	0.3
_exptl_crystal_size_min    	0.2
_exptl_crystal_size_rad    	?
_exptl_crystal_colour    	'colourless'
_chemical_compound_source    	?
_diffrn_measurement_device    	'Enraf-Nonius CAD-4'
_diffrn_measurement_method    	'\w-2\q'
_exptl_absorpt_correction_type    	'none'
_exptl_absorpt_correction_T_min    	?
_exptl_absorpt_correction_T_max    	?
_diffrn_reflns_number    	1014
_reflns_number_total    	953
_reflns_number_observed    	815
_reflns_observed_criterion    	I>=2\s(I)
_diffrn_reflns_av_R_equivalents    	0.0108
_diffrn_reflns_theta_max    	26.33
_diffrn_reflns_limit_h_min    	-17
_diffrn_reflns_limit_h_max    	0
_diffrn_reflns_limit_k_min    	0
_diffrn_reflns_limit_k_max    	8
_diffrn_reflns_limit_l_min    	-12
_diffrn_reflns_limit_l_max    	14
_diffrn_standards_number    	
;3 intensity standard reflection monitored every 120 mins, intensity
variation was within statistical fluctuation; 2 orientation standard
reflections monitored every 250 reflections
;
_diffrn_standards_interval_count    	250
_diffrn_standards_interval_time    	120
_diffrn_standards_decay_%    	'within statistical fluctuation'
_refine_ls_structure_factor_coef    	Fsqd
_refine_ls_R_factor_obs    	0.0241
_refine_ls_wR_factor_obs    	0.0700
_refine_ls_goodness_of_fit_obs    	1.208
_refine_ls_number_reflns    	953
_refine_ls_number_parameters    	88
_refine_ls_hydrogen_treatment    	'refall'
_refine_ls_weighting_scheme    	
;w=1/[\s^2^(Fo)^2^+(0.0294P)^2^+0.44P], where P = (Fo^2^ + 2F~c~^2^)/3
;
_refine_ls_shift/esd_max    	0.00
_refine_diff_density_max    	0.159
_refine_diff_density_min    	-0.136
_refine_ls_extinction_method    	'kF~c~[1+0.001\cF~c~^2^\l^3^/sin(2\q)]^-1/4^'
_refine_ls_extinction_coef    	'\c = 0.029(2)'
_atom_type_scat_source    	IntTabC
loop_
    _atom_site_label
    _atom_site_fract_x
    _atom_site_fract_y
    _atom_site_fract_z
    _atom_site_U_iso_or_equiv
    Na .30029(4) -.00453(8) .06811(5) .028(1)
    O .4795(1) .4837(2) .2990(1) .029(1)
    O(1) .1429(1) .1869(2) .0073(1) .032(1)
    O(2) .3852(1) .1309(2) .2880(1) .029(1)
    O(3) .4605(1) -.1637(2) .0833(1) .031(1)
    O(4) .2840(1) -.3415(2) .1500(1) .030(1)
    H(11) .125(2) .215(4) .059(2) .064(7)
    H(12) .088(2) .130(3) -.060(2) .055(6)
    H(21) .415(2) .240(4) .289(2) .053(6)
    H(22) .432(2) .040(3) .323(2) .044(5)
    H(31) .481(2) -.296(4) .125(2) .064(6)
    H(32) .442(2) -.181(3) .006(2) .051(6)
    H(41) .249(2) -.356(3) .180(2) .046(6)
    H(42) .344(2) -.404(3) .200(2) .056(6)