#------------------------------------------------------------------------------
#$Date: 2024-04-18 18:56:43 +0300 (Thu, 18 Apr 2024) $
#$Revision: 291269 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/17/9001780.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_9001780
loop_
_publ_author_name
'Yang, H.'
'Evans, B. W.'
_publ_section_title
;X-ray structure refinements of tremolite at 140 and 295 K: Crystal chemistry
 and petrologic implications T = 295 K
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1117
_journal_page_last               1125
_journal_volume                  81
_journal_year                    1996
_chemical_formula_sum            'Ca2 H2 Mg5 O24 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                 104.782
_cell_angle_gamma                90
_cell_length_a                   9.8356
_cell_length_b                   18.0557
_cell_length_c                   5.2785
_cell_formula_units_Z            2
_cell_volume                     906.377
_database_code_amcsd             0001836
_diffrn_ambient_temperature      295
_exptl_crystal_density_diffrn    2.977
_cod_original_formula_sum        'Mg5 Ca2 Si8 O24 H2'
_cod_database_code               9001780
loop_
_space_group_symop_operation_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 0.08769 0.50000 1.00000 ?
Mg2 0.00000 0.17653 0.00000 1.00000 ?
Mg3 0.00000 0.00000 0.00000 1.00000 ?
Ca4 0.00000 0.27812 0.50000 0.50000 ?
Ca4* 0.00000 0.26120 0.50000 0.50000 0.03420
Si1 0.28006 0.08408 0.29689 1.00000 ?
Si2 0.28825 0.17112 0.80447 1.00000 ?
O1 0.11186 0.08605 0.21749 1.00000 ?
O2 0.11871 0.17120 0.72414 1.00000 ?
O3 0.11036 0.00000 0.71619 1.00000 ?
O4 0.36531 0.24781 0.79313 1.00000 ?
O5 0.34592 0.13402 0.09930 1.00000 ?
O6 0.34355 0.11863 0.58847 1.00000 ?
O7 0.33662 0.00000 0.29264 1.00000 ?
H 0.20637 0.00000 0.77111 1.00000 0.02913
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0001836
