#------------------------------------------------------------------------------
#$Date: 2010-01-30 15:59:17 +0200 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9000375.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_9000375
loop_
_publ_author_name
'Cameron M'
'Gibbs G V'
_publ_section_title
;
 The crystal structure and bonding of fluor-tremolite: A comparison with hydroxyl
 tremolite
;
_journal_name_full               'American Mineralogist'
_journal_page_first              879
_journal_page_last               888
_journal_volume                  58
_journal_year                    1973
_chemical_formula_sum            'Ca2 F2 Mg5 O22 Si8'
_[local]_cod_chemical_formula_sum_orig 'Si8 Mg5 Ca2 O22 F2'
_chemical_name_mineral           Tremolite
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 104.44
_cell_angle_gamma                90
_cell_length_a                   9.787
_cell_length_b                   18.004
_cell_length_c                   5.263
_cell_volume                     898.071
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
Si1 0.28290 0.08340 0.29600
Si2 0.29000 0.17070 0.80410
Mg1 0.00000 0.08850 0.50000
Mg2 0.00000 0.17600 0.00000
Mg3 0.00000 0.00000 0.00000
Ca4 0.00000 0.27710 0.50000
O1 0.11260 0.08470 0.21790
O2 0.11870 0.17020 0.72390
F3 0.10200 0.00000 0.71240
O4 0.36440 0.24840 0.79070
O5 0.34710 0.13510 0.10010
O6 0.34440 0.11970 0.58570
O7 0.34080 0.00000 0.29220
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Si1 0.00396 0.00427 0.00338 -0.00052 0.00174 0.00046
Si2 0.00387 0.00608 0.00271 -0.00043 -0.00017 0.00051
Mg1 0.00428 0.00690 0.00407 0.00000 -0.00044 0.00000
Mg2 0.00897 0.00657 0.00537 0.00000 0.00247 0.00000
Mg3 0.00478 0.00394 0.00644 0.00000 0.00046 0.00000
Ca4 0.01133 0.01084 0.00895 0.00000 0.00641 0.00000
O1 0.00537 0.00624 0.00659 0.00078 0.00022 0.00005
O2 0.00956 0.00805 0.00503 -0.00009 0.00232 -0.00084
F3 0.00555 0.01166 0.00763 0.00000 0.00215 0.00000
O4 0.00760 0.00690 0.00750 -0.00190 0.00117 -0.00130
O5 0.00883 0.00657 0.00750 0.00104 0.00098 0.00335
O6 0.00446 0.01215 0.00553 0.00207 0.00007 -0.00019
O7 0.01028 0.01149 0.01163 0.00000 0.00573 0.00000
_cod_database_code 9000375