#------------------------------------------------------------------------------
#$Date: 2024-05-29 17:00:33 +0300 (Wed, 29 May 2024) $
#$Revision: 292100 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/76/9017694.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_9017694
loop_
_publ_author_name
'Camara, F.'
'Bittarello, E.'
'Ciriotti, M. E.'
'Nestola, F.'
'Radica, F.'
'Marchesini, M.'
_publ_section_title
;
 As-bearing new mineral species from Valletta mine, Maira Valley, Piedmont, Italy:
 II. braccoite, NaMn5[Si5AsO17(OH)](OH), description and crystal structure
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              171
_journal_page_last               189
_journal_volume                  79
_journal_year                    2015
_chemical_compound_source        'Valletta mine, Maira Valley, Piedmont, Italy'
_chemical_formula_sum
'Al0.02 As0.96 Ca0.02 F0.04 H3.96 Mg0.38 Mn9.56 Na2.12 O38 Si10.74 V0.32'
_chemical_name_mineral           Braccoite
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                92.691
_cell_angle_beta                 117.057
_cell_angle_gamma                105.323
_cell_length_a                   9.7354
_cell_length_b                   9.9572
_cell_length_c                   9.0657
_cell_formula_units_Z            1
_cell_volume                     740.370
_database_code_amcsd             0020722
_exptl_crystal_density_diffrn    3.560
_cod_data_source_file            inputs/fixed/downloads/18/18601.cif
_cod_data_source_block           18601
_cod_original_formula_sum
'Na2.12 Mn9.56 Mg.38 Ca.02 V.32 Al.02 Si10.74 As.96 O38 H3.96 F.04'
_cod_database_code               9017694
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
Na1 0.50000 0.00000 0.50000 1.00000 0.03000
Na2 0.19120 0.53400 0.44320 0.56000 0.01510
Mn1 0.74388 0.97982 0.29542 0.98000 0.01168
Mg1 0.74388 0.97982 0.29542 0.01000 0.01168
Ca1 0.74388 0.97982 0.29542 0.01000 0.01168
Mn2 0.99723 0.21282 0.22004 0.94000 0.01045
Mg2 0.99723 0.21282 0.22004 0.06000 0.01045
Mn3 0.86298 0.88807 0.02950 0.88000 0.00981
Mg3 0.86298 0.88807 0.02950 0.10000 0.00981
V3 0.86298 0.88807 0.02950 0.01000 0.00981
Al3 0.86298 0.88807 0.02950 0.01000 0.00981
Mn4 0.57398 0.66844 0.09774 0.99000 0.00999
Mg4 0.57398 0.66844 0.09774 0.01000 0.00999
Mn5 0.71912 0.55370 0.85346 0.99000 0.01242
Mg5 0.71912 0.55370 0.85346 0.01000 0.01242
Si1 0.87449 0.27556 0.82439 1.00000 0.00920
Si2 0.03102 0.23894 0.60955 1.00000 0.00861
Si3 0.20746 0.54939 0.77372 1.00000 0.00943
Si4 0.47814 0.75745 0.73037 1.00000 0.00925
Si5 0.61959 0.07757 0.89560 1.00000 0.00829
Si6 0.60697 0.71401 0.48355 0.37000 0.00903
As6 0.60697 0.71401 0.48355 0.48000 0.00903
V6 0.60697 0.71401 0.48355 0.15000 0.00903
O1 0.70480 0.16540 0.79470 1.00000 0.01320
O2 0.88530 0.22670 0.65670 1.00000 0.01450
O3 0.11100 0.40940 0.62040 1.00000 0.01330
O4 0.30220 0.66920 0.70620 1.00000 0.01240
O5 0.49870 0.92650 0.75290 1.00000 0.01280
O6 0.46450 0.71140 0.54650 1.00000 0.01420
O7 0.85560 0.43310 0.82220 1.00000 0.01440
O8 0.96450 0.72480 0.00810 1.00000 0.01180
O9 0.95350 0.15320 0.42200 1.00000 0.01230
O10 0.82870 0.81300 0.24690 1.00000 0.01100
O11 0.08050 0.60580 0.80350 1.00000 0.01430
O12 0.66490 0.49180 0.05940 1.00000 0.01140
O13 0.37460 0.27650 0.11810 1.00000 0.01130
O14 0.49610 0.14800 0.91020 1.00000 0.01270
O15 0.24040 0.94900 0.93670 1.00000 0.01120
O16 0.68090 0.88070 0.47500 1.00000 0.01480
O17 0.51720 0.60420 0.29770 1.00000 0.01370
O18 0.25680 0.34690 0.36990 1.00000 0.01490
O19 0.08970 0.05020 0.17280 1.00000 0.01340
H7 0.93700 0.49300 0.82000 1.00000 0.01700
H19 0.17900 0.05000 0.27600 0.98000 0.01600
F19 0.17900 0.05000 0.27600 0.02000 0.01600
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0020722
