#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/81/1538130.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_1538130
loop_
_publ_author_name
'Hawthorne, F.C.'
'Oberti, R.'
'Sardone, N.'
_publ_section_title
;
 Sodium at the A site in clinoamphiboles: The effects of composition on
 the patterns of order
;
_journal_name_full               'Canadian Mineralogist'
_journal_page_first              577
_journal_page_last               593
_journal_volume                  34
_journal_year                    1996
_chemical_formula_sum
'Al2.26 Ca0.79 F1.02 Fe1.7 H0.98 Mg2.42 Na2.13 O22.98 Si6.6 Ti0.02'
_chemical_name_systematic
;
Na0.92 (Na1.21 Ca0.79) (Mg2.42 Fe1.7 Al0.86 Ti0.02) (Si6.6 Al1.4) O22 F1.02 (O 
H).98
;
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 104.33
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.722
_cell_length_b                   17.862
_cell_length_c                   5.319
_cell_volume                     894.929
_citation_journal_id_ASTM        CAMIA6
_cod_data_source_file            Hawthorne_CAMIA6_1996_1394.cif
_cod_data_source_block
H0.98Al2.26Ca0.79F1.02Fe1.7Mg2.42Na2.13O22.98Si6.6Ti0.02
_cod_original_cell_volume        894.9288
_cod_original_formula_sum
;
H0.98 Al2.26 Ca0.79 F1.02 Fe1.7 Mg2.42 Na2.13 O22.98 Si6.6 Ti0.02
;
_cod_database_code               1538130
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z
-x,-y,-z
x,-y,z
x+1/2,y+1/2,z
-x+1/2,y+1/2,-z
-x+1/2,-y+1/2,-z
x+1/2,-y+1/2,z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
H1 H+1 0.1932 0 0.7615 0.49 0.0
O1 O-2 0.1069 0.0902 0.2107 1 0.0
Mg1 Mg+2 0 0.0906 0.5 0.76 0.0
F1 F-1 0.1085 0 0.7083 0.51 0.0
Na3 Na+1 0 0.4797 0 0.2 0.0
Na2 Na+1 0.0521 0.5 0.1144 0.26 0.0
Al2 Al+3 0 0.1792 0 0.43 0.0
O3 O-2 0.1085 0 0.7083 0.49 0.0
Mg2 Mg+2 0 0.1792 0 0.125 0.0
Al1 Al+3 0.2826 0.0866 0.2983 0.35 0.0
O7 O-2 0.3408 0 0.2862 1 0.0
O5 O-2 0.3538 0.1363 0.0977 1 0.0
Na1 Na+1 0 0.2789 0.5 0.605 0.0
Si2 Si+4 0.2919 0.1732 0.8108 1 0.0
O6 O-2 0.343 0.1194 0.5978 1 0.0
Ti1 Ti+4 0 0.1792 0 0.01 0.0
Fe1 Fe+2 0 0.0906 0.5 0.24 0.0
Mg3 Mg+2 0 0 0 0.65 0.0
O2 O-2 0.119 0.1724 0.7409 1 0.0
Si1 Si+4 0.2826 0.0866 0.2983 0.65 0.0
Fe2 Fe+2 0 0.1792 0 0.435 0.0
Ca1 Ca+2 0 0.2789 0.5 0.395 0.0
Fe3 Fe+2 0 0 0 0.35 0.0
O4 O-2 0.3666 0.2522 0.7967 1 0.0
