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#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1011010.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_1011010
_chemical_name_systematic          'Sodium beryllium hydrogen silicate *'
_chemical_name_mineral             'Epididymite'
_chemical_compound_source          'from Greenland'
_chemical_formula_structural       'H Na Be Si3 O8'
_chemical_formula_sum              'H Be Na O8 Si3'
_publ_section_title
;
The Structure of Epididymite (H Na Be Si3 O8)
;
_publ_author_name                  'Ito, T'
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik,
Kristallchemie (-144,1977)
;
_journal_coden_ASTM                ZEKGAX
_journal_volume                    88
_journal_year                      1934
_journal_page_first                142
_journal_page_last                 149
_cell_length_a                     12.63
_cell_length_b                     7.32
_cell_length_c                     13.58
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       1255.5
_cell_formula_units_Z              8
_exptl_crystal_density_meas        2.55
_symmetry_space_group_name_H-M     'P n a m'
_symmetry_Int_Tables_number        62
_symmetry_cell_setting             orthorhombic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2+x,1/2-y,1/2-z'
  '-x,-y,1/2+z'
  '1/2-x,1/2+y,-z'
  '-x,-y,-z'
  '1/2-x,1/2+y,1/2+z'
  'x,y,1/2-z'
  '1/2+x,1/2-y,z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  O2-   -2.000
  Si4+   4.000
  Na1+   1.000
  Be2+   2.000
  H1+    1.000
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
  O1    O2-    8 d 0.04 0. 0.145 1.  0 d
  O2    O2-    8 d 0.04 0.5 0.145 1.  0 d
  O3    O2-    8 d 0. 0.25 0.01 1.  0 d
  O4    O2-    8 d 0.167 0. -0.04 1.  0 d
  O5    O2-    8 d 0.167 0.5 -0.04 1.  0 d
  O6    O2-    8 d 0.182 0.25 0.13 1.  0 d
  O7    O2-    8 d 0.318 0.25 -0.13 1.  0 d
  Si1   Si4+   8 d 0.065 0.2 0.06 1.  0 d
  Si2   Si4+   8 d 0.435 0.2 -0.06 1.  0 d
  Si3   Si4+   8 d 0.335 0.25 0. 1.  0 d
  Na1   Na1+   4 a 0. 0. 0. 1.  0 d
  Na2   Na1+   4 b 0. 0.5 0. 1.  0 d
  Be1   Be2+   8 d 0.035 0.25 0.052 1.  0 d
  O8    O2-    4 c -0.155 0.15 0.25 1.  1 d
  O9    O2-    4 c 0.041 0.25 0.25 1.  1 d
  H1    H1+    4 c -1. -1. -1. 2.  0 dum