#------------------------------------------------------------------------------
#$Date: 2024-04-18 17:56:43 +0200 (Thu, 18 Apr 2024) $
#$Revision: 291269 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/9/00/13/9001310.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_9001310
loop_
_publ_author_name
'Finger, L. W.'
'Hazen, R. M.'
'Prewitt, C. T.'
_publ_section_title
;
 Crystal structures of Mg12Si4O19(OH)2 (phase B) and Mg14Si5O24 (phase AnhB)
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1
_journal_page_last               7
_journal_volume                  76
_journal_year                    1991
_chemical_formula_sum            'Mg14 O24 Si5'
_chemical_name_common            Phase-B-anhydrous
_chemical_name_mineral           Phase-B-anhydrous
_space_group_IT_number           55
_symmetry_space_group_name_Hall  '-P 2bc 2'
_symmetry_space_group_name_H-M   'P m c b'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.868
_cell_length_b                   14.178
_cell_length_c                   10.048
_cell_formula_units_Z            2
_cell_volume                     835.958
_database_code_amcsd             0001340
_exptl_crystal_density_diffrn    3.435
_cod_original_cell_volume        835.959
_cod_original_formula_sum        'Si5 Mg14 O24'
_cod_database_code               9001310
loop_
_space_group_symop_operation_xyz
x,y,z
x,1/2+y,1/2-z
-x,1/2-y,1/2+z
x,1/2-y,1/2+z
-x,1/2+y,1/2-z
-x,y,z
x,-y,-z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Si1 0.00000 0.00000 0.00000 0.00418
Si2 0.50000 0.31141 0.17445 0.00443
Si3 0.00000 0.37524 0.99754 0.00431
Mg1 0.50000 0.00000 0.50000 0.00595
Mg2 0.50000 0.17460 0.35469 0.00583
Mg3 0.50000 0.00000 0.00000 0.00608
Mg4 0.24050 0.00241 0.25354 0.00557
Mg5 0.00000 0.17612 0.82058 0.00608
Mg6 0.24396 0.16958 0.08108 0.00583
O1 0.00000 0.91394 0.34705 0.00595
O2 0.00000 0.57564 0.35375 0.00469
O3 0.00000 0.24165 0.49605 0.00570
O4 0.50000 0.08599 0.17186 0.00557
O5 0.50000 0.42488 0.16958 0.00532
O6 0.50000 0.76001 0.47153 0.00557
O7 0.23420 0.08741 0.42136 0.00570
O8 0.21470 0.42653 0.42534 0.00595
O9 0.28240 0.76221 0.25276 0.00608
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0001340
