#------------------------------------------------------------------------------
#$Date: 2024-04-18 17:56:43 +0200 (jue 18 de abr de 2024) $
#$Revision: 291269 $
#$URL: svn://www.crystallography.net/cod/cif/9/00/16/9001631.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_9001631
loop_
_publ_author_name
'Downs, R. T.'
'Hazen, R. M.'
'Finger, L. W.'
_publ_section_title
;
 The high-pressure crystal chemistry of low albite and the origin of the
 pressure dependency of Al-Si ordering
 P = 0, constrained data set
 Note: sample is from Crete
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1042
_journal_page_last               1052
_journal_volume                  79
_journal_year                    1994
_chemical_formula_sum            'Al Na O8 Si3'
_chemical_name_mineral           Albite
_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                94.245
_cell_angle_beta                 116.605
_cell_angle_gamma                87.809
_cell_length_a                   8.1372
_cell_length_b                   12.7870
_cell_length_c                   7.1574
_cell_formula_units_Z            4
_cell_volume                     664.037
_database_code_amcsd             0001683
_exptl_crystal_density_diffrn    2.623
_cod_original_formula_sum        'Na Al Si3 O8'
_cod_database_code               9001631
loop_
_symmetry_equiv_pos_as_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 0.01773 0.05305 0.03721 -0.00484 0.01219 -0.02442
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Na 0.26913 0.98904 0.14894 0.03800
Al1o 0.00890 0.16819 0.20762 0.00811
Si1m 0.00398 0.82043 0.23665 0.00798
Si2o 0.69222 0.11044 0.31589 0.00747
Si2m 0.68162 0.88179 0.36088 0.00773
O(A1) 0.00615 0.13166 0.96889 0.01482
O(A2) 0.59158 0.99706 0.27896 0.00975
O(B)o 0.81370 0.11011 0.19504 0.01330
O(B)m 0.81898 0.85089 0.25629 0.01507
O(C)o 0.01239 0.30185 0.26901 0.01216
O(C)m 0.02327 0.69340 0.22754 0.01165
O(D)o 0.20643 0.10894 0.38631 0.01507
O(D)m 0.18092 0.86801 0.42864 0.01824
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0001683
