#------------------------------------------------------------------------------
#$Date: 2010-01-30 14:59:17 +0100 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: svn://www.crystallography.net/cod/cif/2/2008881.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_2008881
_journal_name_full 'Acta Crystallographica Section C'
_journal_year  1999
_journal_volume 55
_journal_page_first  1398
_journal_page_last  1399
_publ_section_title
;
Sodium zinc hydroxide selenite, NaZn~2~(OH)(SeO~3~)~2~
;
loop_
_publ_author_name
  'Harrison, William T. A.'
  'Phillips, Mark L. F.'
_chemical_formula_moiety  ' NaZn2(OH)(SeO3)2 '
_chemical_formula_sum            'H Na O7 Se2 Zn2'
_[local]_cod_chemical_formula_sum_orig ' H1 Na1 O7 Se2 Zn2 '
_chemical_formula_weight  424.69
_chemical_melting_point  'decomposes before melting'
_symmetry_cell_setting  'Orthorhombic '
_symmetry_space_group_name_H-M  'P n m a'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,-y,-z'
  '1/2-x,1/2+y,1/2+z'
  '1/2+x,1/2-y,1/2-z'
  'x,1/2-y,z'
  '-x,1/2+y,-z'
  '1/2-x,-y,1/2+z'
  '1/2+x,y,1/2-z'
_cell_length_a  13.3320(10)
_cell_length_b  6.0756(5)
_cell_length_c  8.3258(6)
_cell_angle_alpha  90.
_cell_angle_beta  90.
_cell_angle_gamma  90.
_cell_volume  674.4
_cell_formula_units_Z  4
_cell_measurement_temperature  298
_exptl_crystal_density_diffrn  4.18
_diffrn_ambient_temperature  298
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_thermal_displace_type
_atom_site_occupancy
  Na1 0.24941(15) 0.2500 0.1276(2) 0.0189 Uani 1.0000
  Zn1 0.0000 0.0000 0.0000 0.0106 Uani 1.0000
  Zn2 0.11247(3) -0.2500 0.28793(5) 0.0099 Uani 1.0000
  Se1 0.02697(3) 0.2500 0.38270(4) 0.0083 Uani 1.0000
  Se2 0.32950(3) -0.2500 0.27423(4) 0.0123 Uani 1.0000
  O1 0.1094(2) 0.2500 -0.0439(3) 0.0112 Uani 1.0000
  O2 0.0878(2) -0.2500 0.5321(4) 0.0169 Uani 1.0000
  O3 -0.0982(2) 0.2500 -0.0367(4) 0.0106 Uani 1.0000
  O4 0.24672(17) -0.0426(4) 0.3029(3) 0.0206 Uani 1.0000
  O5 0.01832(18) 0.0322(4) 0.2543(3) 0.0136 Uani 1.0000
  H1 -0.145(6) 0.2500 0.013(8) 0.030(19) Uiso 1.0000
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
  Na1 0.0190(10)
  0.0240(10)
  0.0130(8) 0.0000 -0.0025(6) 0.0000
  Zn1 0.0133(3) 0.0093(3) 0.0092(3) 0.00055(16) -0.00212(14) 0.00158(18)
  Zn2 0.0110(3) 0.0122(3) 0.0065(3) 0.0000 -0.00050(15) 0.0000
  Se1 0.0100(2) 0.0111(2) 0.0039(2) 0.0000 -0.00101(12) 0.0000
  Se2 0.0084(2) 0.0220(3) 0.0064(2) 0.0000 -0.00012(12) 0.0000
  O1 0.0096(14) 0.0155(15) 0.0084(12) 0.0000 0.0022(9) 0.0000
  O2 0.0141(16) 0.0264(17) 0.0100(13) 0.0000 0.0044(11) 0.0000
  O3 0.0113(14) 0.0114(14) 0.0091(14) 0.0000 0.0030(10)
  0.0000
  O4 0.0151(11) 0.0241(13) 0.0226(11) 0.0053(9) -0.0009(8) 0.0053(11)
  O5 0.0220(10)
  0.0106(9) 0.0078(8) 0.0051(8) -0.0029(7) -0.0034(8)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
  Na1 O1 . . 2.350(3) yes
  Na1 O2 . 3_554 2.312(4) yes
  Na1 O4 . . 2.300(3) yes
  Na1 O4 . 5_555 2.300(3) yes
  Zn1 O1 . . 2.137(2) yes
  Zn1 O1 . 2_555 2.137(2) yes
  Zn1 O3 . . 2.028(2) yes
  Zn1 O3 . 2_555 2.028(2) yes
  Zn1 O5 . . 2.140(2) yes
  Zn1 O5 . 2_555 2.140(2) yes
  Zn2 O2 . . 2.060(3) yes
  Zn2 O3 . 2_555 2.100(3) yes
  Zn2 O4 . . 2.192(3) yes
  Zn2 O4 . 5_545 2.192(3) yes
  Zn2 O5 . . 2.143(2) yes
  Zn2 O5 . 5_545 2.143(2) yes
  Se1 O2 . 2_556 1.686(3) yes
  Se1 O5 . . 1.705(2) yes
  Se1 O5 . 5_555 1.705(2) yes
  Se2 O1 . 3_545 1.720(3) yes
  Se2 O4 . . 1.692(2) yes
  Se2 O4 . 5_545 1.692(2) yes
  O3 H1 . . 0.75(8) yes
_cod_database_code 2008881