#------------------------------------------------------------------------------
#$Date: 2010-01-30 15:59:17 +0200 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9009233.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_9009233
loop_
_publ_author_name
'Walker J R'
'Bish D L'
_publ_section_title
;
 Application of Rietveld refinement techniques to a disordered IIb Mg-chamosite
 Locality: Lebanon, New Hampshire, USA
;
_journal_name_full               'Clays and Clay Minerals'
_journal_page_first              319
_journal_page_last               322
_journal_volume                  40
_journal_year                    1992
_chemical_formula_sum            'Al1.2 Fe2.482 Mg2.518 O18 Si3.8'
_[local]_cod_chemical_formula_sum_orig '(Mg2.518 Fe2.482) Al1.2 Si3.8 O18'
_chemical_name_mineral           Chamosite
_symmetry_space_group_name_H-M   'C -1'
_cell_angle_alpha                90.315
_cell_angle_beta                 97.234
_cell_angle_gamma                90.022
_cell_length_a                   5.36982
_cell_length_b                   9.3031
_cell_length_c                   14.2610
_cell_volume                     706.740
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2+x,1/2+y,z
-x,-y,-z
1/2-x,1/2-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
MgM1 0.00000 0.00000 0.00000 0.53800 0.00200
FeM1 0.00000 0.00000 0.00000 0.46200 0.00200
MgM2 0.01410 0.33480 0.00270 0.49600 0.00200
FeM2 0.01410 0.33480 0.00270 0.50400 0.00200
MgM3 0.00320 0.16830 0.50040 0.49400 0.00200
FeM3 0.00320 0.16830 0.50040 0.50600 0.00200
AlM4 0.00000 0.50000 0.50000 1.00000 0.00300
SiT1 0.24000 0.17000 0.19410 0.95000 0.00100
AlT1 0.24000 0.17000 0.19410 0.05000 0.00100
SiT2 0.73000 0.99800 0.19450 0.95000 0.00100
AlT2 0.73000 0.99800 0.19450 0.05000 0.00100
O1 0.19100 0.16350 0.07890 1.00000 0.01100
O2 0.70500 0.99800 0.07560 1.00000 0.01100
O3 0.23100 0.33600 0.23740 1.00000 0.01100
O4 0.52800 0.11800 0.23020 1.00000 0.01100
O5 0.01800 0.06100 0.23060 1.00000 0.01100
O6 0.68900 0.33120 0.07420 1.00000 0.01100
O7 0.14400 0.99900 0.43000 1.00000 0.01100
O8 0.14300 0.33610 0.42860 1.00000 0.01100
O9 0.64300 0.16270 0.43110 1.00000 0.01100
_cod_database_code 9009233