#------------------------------------------------------------------------------
#$Date: 2024-04-18 18:56:43 +0300 (Thu, 18 Apr 2024) $
#$Revision: 291269 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/17/9001779.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_9001779
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 = 140 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                 104.846
_cell_angle_gamma                90
_cell_length_a                   9.8293
_cell_length_b                   18.0307
_cell_length_c                   5.2752
_cell_formula_units_Z            2
_cell_volume                     903.710
_database_code_amcsd             0001835
_diffrn_ambient_temperature      140
_exptl_crystal_density_diffrn    2.985
_cod_original_formula_sum        'Mg5 Ca2 Si8 O24 H2'
_cod_database_code               9001779
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 0.08775 0.50000 1.00000 ?
Mg2 0.00000 0.17639 0.00000 1.00000 ?
Mg3 0.00000 0.00000 0.00000 1.00000 ?
Ca4 0.00000 0.27822 0.50000 0.50000 ?
Ca4* 0.00000 0.25882 0.50000 0.50000 0.02153
Si1 0.28039 0.08416 0.29742 1.00000 ?
Si2 0.28824 0.17133 0.80493 1.00000 ?
O1 0.11179 0.08596 0.21767 1.00000 ?
O2 0.11860 0.17124 0.72418 1.00000 ?
O3 0.11027 0.00000 0.71599 1.00000 ?
O4 0.36514 0.24820 0.79245 1.00000 ?
O5 0.34644 0.13458 0.10096 1.00000 ?
O6 0.34384 0.11833 0.59009 1.00000 ?
O7 0.33726 0.00000 0.29140 1.00000 ?
H 0.20705 0.00000 0.77993 1.00000 0.02913
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0001835
