#------------------------------------------------------------------------------
#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1011009.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_1011009
_chemical_name_systematic          'Trimagnesium silicate hydroxide fluoride'
_chemical_name_mineral             'Norbergite'
_chemical_compound_source          'from Nicoll Quarry, Franklin, New Jersey'
_chemical_formula_structural       'Mg3 F (O H) (Si O4)'
_chemical_formula_analytical
;
(Mg2.92 Fe.02 Al.06) (Si.94 Al.06) O4 F1.33 (O H).67
;
_chemical_formula_sum              'H F Mg3 O5 Si'
_publ_section_title                'The Structure of Norbergite.'
loop_
_publ_author_name
  'Taylor, W H'
  'West, J'
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik,
Kristallchemie (-144,1977)
;
_journal_coden_ASTM                ZEKGAX
_journal_volume                    70
_journal_year                      1929
_journal_page_first                461
_journal_page_last                 474
_cell_length_a                     4.7
_cell_length_b                     10.2
_cell_length_c                     8.72
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       418.0
_cell_formula_units_Z              4
_exptl_crystal_density_meas        3.15
_symmetry_space_group_name_H-M     'P b n 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
  F1-   -1.000
  Mg2+   2.000
  Si4+   4.000
  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 0.25 0.292 0.083 1.  0 d
  O2    O2-    4 c 0.25 0.042 0.25 1.  0 d
  O3    O2-    4 c -0.25 0.208 0.25 1.  0 d
  F1    F1-    8 d -0.25 -0.042 0.083 0.5  0 d
  O4    O2-    8 d -0.25 -0.042 0.083 0.5  1 d
  Mg1   Mg2+   8 d 0. -0.361 0.078 1.  0 d
  Mg2   Mg2+   4 c 0.014 -0.111 0.25 1.  0 d
  Si1   Si4+   4 c 0.389 -0.278 0.25 1.  0 d
  H1    H1+    4 c -1. -1. -1. 1.  0 dum