#------------------------------------------------------------------------------
#$Date: 2010-06-10 18:11:07 +0300 (Thu, 10 Jun 2010) $
#$Revision: 1210 $
#$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/. 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_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'
_chemical_name_mineral           Tremolite
_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                 104.44
_cell_angle_gamma                90
_cell_length_a                   9.787
_cell_length_b                   18.004
_cell_length_c                   5.263
_cell_volume                     898.072
_exptl_crystal_density_diffrn    3.019
_[local]_cod_chemical_formula_sum_orig 'Si8 Mg5 Ca2 O22 F2'
_cod_original_cell_volume        898.071
_cod_database_code               9000375
_amcsd_database_code             AMCSD#0000383
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_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
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