#------------------------------------------------------------------------------
#$Date: 2024-04-18 18:56:43 +0300 (Thu, 18 Apr 2024) $
#$Revision: 291269 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/23/9002334.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_9002334
loop_
_publ_author_name
'Merli, M.'
'Ungaretti, L.'
'Oberti, R.'
_publ_section_title
;
 Leverage analysis and structure refinement of minerals
 Sample: from Val Tremola 9527
;
_journal_name_full               'American Mineralogist'
_journal_page_first              532
_journal_page_last               542
_journal_volume                  85
_journal_year                    2000
_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                 104.750
_cell_angle_gamma                90
_cell_length_a                   9.8359
_cell_length_b                   18.0450
_cell_length_c                   5.2752
_cell_formula_units_Z            2
_cell_volume                     905.434
_database_code_amcsd             0002418
_exptl_crystal_density_diffrn    2.980
_cod_original_cell_volume        905.435
_cod_original_formula_sum        'Si8 Mg5 Ca2 H2 O24'
_cod_database_code               9002334
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_U_iso_or_equiv
SiT1 0.28060 0.08390 0.29720 ?
SiT2 0.28840 0.17110 -0.19530 ?
MgM1 0.00000 0.08780 0.50000 ?
MgM2 0.00000 0.17650 0.00000 ?
MgM3 0.00000 0.00000 0.00000 ?
CaM4 0.00000 0.27800 0.50000 ?
H 0.19600 0.00000 0.76400 0.00015
O1 0.11190 0.08570 0.21800 ?
O2 0.11870 0.17090 0.72440 ?
O3 0.10850 0.00000 0.71550 ?
O4 0.13510 0.25190 0.20690 ?
O5 0.34660 0.13440 0.10050 ?
O6 0.34400 0.11880 0.58910 ?
O7 0.33770 0.00000 0.29280 ?
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0002418
