#------------------------------------------------------------------------------
#$Date: 2009-11-18 16:56:34 +0200 (Wed, 18 Nov 2009) $
#$Revision: 858 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9000177.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_9000177
loop_
_publ_author_name
'Papike J J'
'Clark J R'
_publ_section_title
;
 The crystal structure and cation distribution of glaucophane
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1156
_journal_page_last               1173
_journal_volume                  53
_journal_year                    1968
_chemical_formula_sum
'Al1.82 Ca0.04 Fe0.79 H0.052 Mg2.39 Na1.96 O24 Si8'
_[local]_cod_chemical_formula_sum_orig
'Mg2.39 Fe.79 Al1.82 (Na1.96 Ca.04) Si8 O24 H.052'
_chemical_name_mineral           Glaucophane
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 103.67
_cell_angle_gamma                90
_cell_length_a                   9.541
_cell_length_b                   17.740
_cell_length_c                   5.295
_cell_volume                     870.830
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
-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
Mg1 0.00000 0.09080 0.50000 0.84000 0.00481
Fe1 0.00000 0.09080 0.50000 0.16000 0.00481
Al2 0.00000 0.18070 0.00000 0.91000 0.00329
Fe2 0.00000 0.18070 0.00000 0.09000 0.00329
Mg3 0.00000 0.00000 0.00000 0.71000 0.00304
Fe3 0.00000 0.00000 0.00000 0.29000 0.00304
Na4 0.00000 0.27720 0.50000 0.98000 0.01013
Ca4 0.00000 0.27720 0.50000 0.02000 0.01013
Si1 0.28310 0.08710 0.29310 1.00000 0.00393
Si2 0.29200 0.17300 0.80870 1.00000 0.00367
O1 0.10920 0.09270 0.20370 1.00000 0.00633
O2 0.11770 0.17140 0.74800 1.00000 0.00633
O-H3 0.11260 0.00000 0.70880 1.00000 0.00823
O4 0.36790 0.25290 0.80580 1.00000 0.00773
O5 0.35480 0.13180 0.08930 1.00000 0.00811
O6 0.34070 0.12240 0.58140 1.00000 0.00861
O7 0.33170 0.00000 0.30180 1.00000 0.00836