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#$Date: 2014-07-12 11:06:43 +0300 (Sat, 12 Jul 2014) $
#$Revision: 120115 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/92/9009233.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
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 H10 Mg2.518 O18 Si3.8'
_chemical_name_mineral           Chamosite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)'
_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
_exptl_crystal_density_diffrn    2.993
_[local]_cod_chemical_formula_sum_orig '(Mg2.518 Fe2.482) Al1.2 Si3.8 O18 H10'
_cod_database_code               9009233
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
O-H5 0.01800 0.06100 0.23060 1.00000 0.01100
O-H6 0.68900 0.33120 0.07420 1.00000 0.01100
O-H7 0.14400 0.99900 0.43000 1.00000 0.01100
O-H8 0.14300 0.33610 0.42860 1.00000 0.01100
O-H9 0.64300 0.16270 0.43110 1.00000 0.01100
_journal_paper_doi 10.1346/CCMN.1992.0400311