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#$Date: 2023-03-24 18:37:27 +0200 (Fri, 24 Mar 2023) $
#$Revision: 282053 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/95/9009586.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_9009586
loop_
_publ_author_name
'Sartori, F.'
_publ_section_title
;
 The crystal structure of a 1M lepidolite
;
_journal_name_full
'Tschermaks Mineralogische und Petrographische Mitteilungen'
_journal_page_first              65
_journal_page_last               75
_journal_paper_doi               10.1007/BF01081870
_journal_volume                  23
_journal_year                    1976
_chemical_compound_source        'Elba, Tuscany, Italy'
_chemical_formula_sum
'Al2.07 Ca0.01 F1.53 H0.47 K0.88 Li1.57 Na0.06 O10.47 Rb0.05 Si3.36'
_chemical_name_mineral           'Lepidolite 1M'
_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                 99.38
_cell_angle_gamma                90
_cell_length_a                   5.20
_cell_length_b                   9.01
_cell_length_c                   10.09
_cell_volume                     466.416
_database_code_amcsd             0015659
_exptl_crystal_density_diffrn    2.838
_cod_original_formula_sum
'(K.88 Na.06 Rb.05 Ca.01) Li1.57 Al2.07 Si3.36 O10.47 (F1.53 H.47)'
_cod_database_code               9009586
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
K 0.00000 0.50000 0.00000 0.88000 0.02128
Na 0.00000 0.50000 0.00000 0.06000 0.02128
Rb 0.00000 0.50000 0.00000 0.05000 0.02128
Ca 0.00000 0.50000 0.00000 0.01000 0.02128
LiM2 0.00000 0.00000 0.50000 0.97000 0.01406
AlM2 0.00000 0.00000 0.50000 0.03000 0.01406
LiM1 0.00000 0.32830 0.50000 0.30000 0.01216
AlM1 0.00000 0.32830 0.50000 0.70000 0.01216
AlT 0.08100 0.16850 0.23200 0.16000 0.01089
SiT 0.08100 0.16850 0.23200 0.84000 0.01089
O1 0.02140 0.00000 0.17420 1.00000 0.01976
O2 0.32510 0.23100 0.16800 1.00000 0.02001
O3 0.14210 0.17680 0.39410 1.00000 0.01748
F4 0.11070 0.50000 0.40150 0.76500 0.02938
O-H4 0.11070 0.50000 0.40150 0.23500 0.02938