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#$Date: 2016-02-16 14:49:47 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176465 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/43/9014375.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_9014375
loop_
_publ_author_name
'Stepanov, A. V.'
'Bekenova, G. K.'
'Levin, V. L.'
'Sokolova, E.'
'Hawthorne, F. C.'
'Dobrovol'skaya, E. A.'
_publ_section_title
;
 Tarbagataite, (K,_)2(Ca,Na)(Fe2+,Mn)7Ti2(Si4O12)2O2(OH)4(OH,F),
 a new astrophyllite-group mineral species from the Verkhnee Espe Deposit,
 Akjailyautas Mountains, Kazakhstan: Description and crystal structure
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              159
_journal_page_last               168
_journal_paper_doi               10.3749/canmin.50.1.159
_journal_volume                  50
_journal_year                    2012
_chemical_compound_source
'Verkhnee Espe deposit, Akjailyautas Mountains, Kazakhstan'
_chemical_formula_sum
'Ca0.62 Cs0.04 F0.35 Fe3.15 H4.65 K0.76 Mg0.18 Mn2.96 Na0.5 Nb0.3 O30.65 Rb0.18 Si8 Sn0.12 Ti1.58 Zn0.01 Zr0.01'
_chemical_name_mineral           Tarbagataite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                112.978
_cell_angle_beta                 94.641
_cell_angle_gamma                103.189
_cell_length_a                   5.3868
_cell_length_b                   11.9141
_cell_length_c                   11.7171
_cell_volume                     661.831
_database_code_amcsd             0019039
_exptl_crystal_density_diffrn    3.200
_cod_original_formula_sum
'K.76 Ca.62 Na.5 Mn2.96 Fe3.15 Mg.18 Zr.01 Zn.01 (Ti1.58 Nb.3 Sn.12) Rb.18 Cs.04 Si8 O30.65 H4.65 F.35'
_cod_database_code               9014375
loop_
_space_group_symop_operation_xyz
x,y,z
-x,-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
KA1 0.14530 0.28100 0.99490 0.38000 0.03220
CaB 0.50000 0.00000 0.00000 0.62000 0.01990
NaB 0.50000 0.00000 0.00000 0.38000 0.01990
NaA2 0.12840 0.24700 0.00300 0.06000 0.03220
MnM1 0.85010 0.20477 0.47800 0.70000 0.01110
FeM1 0.85010 0.20477 0.47800 0.28000 0.01110
FeM2 0.27798 0.06692 0.48669 0.54000 0.01140
MnM2 0.27798 0.06692 0.48669 0.41000 0.01140
FeM3 0.42099 0.35140 0.48311 0.57000 0.01180
MnM3 0.42099 0.35140 0.48311 0.37000 0.01180
MgM3 0.42099 0.35140 0.48311 0.04000 0.01180
FeM4 0.00000 0.50000 0.50000 0.37000 0.00980
MgM4 0.00000 0.50000 0.50000 0.10000 0.00980
ZrM4 0.00000 0.50000 0.50000 0.01000 0.00980
ZnM4 0.00000 0.50000 0.50000 0.01000 0.00980
TiD 0.07770 0.08463 0.19305 0.79000 0.00770
NbD 0.07770 0.08463 0.19305 0.15000 0.00770
SnD 0.07770 0.08463 0.19305 0.06000 0.00770
RbA1 0.14530 0.28100 0.99490 0.09000 0.03220
CsA1 0.14530 0.28100 0.99490 0.02000 0.03220
SiT1 0.68090 0.27333 0.23257 1.00000 0.00920
SiT2 0.81410 0.54771 0.25587 1.00000 0.01130
SiT3 0.37970 0.67619 0.25908 1.00000 0.01230
SiT4 0.50600 0.93184 0.23728 1.00000 0.00910
O1 0.72800 0.31920 0.38440 1.00000 0.01200
O2 0.14680 0.16010 0.36860 1.00000 0.01480
O3 0.12770 0.39140 0.59190 1.00000 0.01280
O6 0.55740 0.25720 0.58890 1.00000 0.01280
O7 0.57300 0.01500 0.38920 1.00000 0.01390
O8 0.07570 0.59230 0.20430 1.00000 0.02170
O9 0.25150 0.03900 0.82780 1.00000 0.02990
O10 0.42700 0.41200 0.79630 1.00000 0.02130
O11 0.12500 0.80620 0.83090 1.00000 0.03120
O12 0.26310 0.95660 0.17210 1.00000 0.03070
O13 0.26880 0.60450 0.80400 1.00000 0.02030
O14 0.57030 0.22090 0.79910 1.00000 0.02250
O15 0.38800 0.18870 0.16700 1.00000 0.02850
O4 0.29850 0.46480 0.40230 1.00000 0.01520
O5 0.99280 0.11810 0.59210 1.00000 0.01720
H1 0.25700 0.42300 0.31010 1.00000 0.02300
H2 0.04600 0.16600 0.68380 1.00000 0.02600
O-HX 0.00000 0.00000 0.00000 0.65000 0.01890
FX 0.00000 0.00000 0.00000 0.35000 0.01890