#------------------------------------------------------------------------------
#$Date: 2024-04-18 18:56:43 +0300 (Thu, 18 Apr 2024) $
#$Revision: 291269 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/21/9002149.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_9002149
loop_
_publ_author_name
'Downs, R. T.'
'Yang, H.'
'Hazen, R. M.'
'Finger, L. W.'
'Prewitt, C. T.'
_publ_section_title
;
 Compressibility mechanisms of alkali feldspars: New data from reedmergnerite
 Sample from Joseph Smith #1 mine, Duchesne Co., Utah,  NMNH 140
 P = 1.89 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              333
_journal_page_last               340
_journal_volume                  84
_journal_year                    1999
_chemical_formula_sum            'B Na O8 Si3'
_chemical_name_mineral           Reedmergnerite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)'
_symmetry_space_group_name_H-M   'C -1'
_cell_angle_alpha                93.364
_cell_angle_beta                 116.316
_cell_angle_gamma                92.145
_cell_length_a                   7.7231
_cell_length_b                   12.3038
_cell_length_c                   6.7719
_cell_formula_units_Z            4
_cell_volume                     574.357
_database_code_amcsd             0002217
_diffrn_ambient_pressure         1.89e+06
_exptl_crystal_density_diffrn    2.845
_cod_original_formula_sum        'Na B Si3 O8'
_cod_database_code               9002149
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
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
Na 0.01500 0.02236 0.02771 0.00206 0.01011 -0.00792
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Na 0.25601 0.00824 0.13088 ?
B 0.01183 0.15965 0.21859 0.00760
Si1m 0.00524 0.80996 0.20889 0.00709
Si2o 0.70104 0.10016 0.32113 0.00659
Si2m 0.67985 0.86332 0.35484 0.00621
O(A1) 0.00752 0.13504 0.00278 0.01001
O(A2) 0.58334 0.97941 0.26984 0.00646
O(B)o 0.84583 0.09262 0.21174 0.00975
O(B)m 0.81170 0.83447 0.23066 0.01165
O(C)o -0.00096 0.27410 0.27149 0.00925
O(C)m 0.02752 0.67925 0.20058 0.01026
O(D)o 0.19525 0.12020 0.38320 0.01229
O(D)m 0.19266 0.86861 0.41472 0.01444
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0002217
