#------------------------------------------------------------------------------
#$Date: 2022-07-27 01:55:41 +0300 (Wed, 27 Jul 2022) $
#$Revision: 276950 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/71/08/7710806.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7710806
loop_
_publ_author_name
'Qiu, Zhi-Xin'
'Pei, Shao-Min'
'Chen, Wen-Fa'
'Jiang, Xiao-Ming'
'Liu, Bin-Wen'
'Guo, Guo-Cong'
_publ_section_title
;
 AAg₃Ga₈Se₁₄ (A = Rb, Cs):
 second-harmonic generation responses realized through the parallel
 arrangement of AgSe₄ and GaSe₄ tetrahedrons.
;
_journal_issue                   29
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              11048
_journal_page_last               11053
_journal_paper_doi               10.1039/d2dt01614a
_journal_volume                  51
_journal_year                    2022
_chemical_formula_moiety         CsAg3Ga8Se14
_chemical_formula_sum            'Ag3 Cs Ga8 Se14'
_chemical_formula_weight         2119.72
_chemical_melting_point          ?
_chemical_name_common            CsAg3Ga8Se14
_space_group_crystal_system      monoclinic
_space_group_IT_number           8
_space_group_name_Hall           'C -2y'
_space_group_name_H-M_alt        'C 1 m 1'
_audit_creation_method           SHELXL-2013
_audit_update_record
;
2022-05-24 deposited with the CCDC.	2022-07-06 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 116.805(5)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   12.9694(7)
_cell_length_b                   11.7931(5)
_cell_length_c                   9.7011(5)
_cell_measurement_reflns_used    3788
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.7710
_cell_measurement_theta_min      2.4530
_cell_volume                     1324.34(13)
_computing_cell_refinement       'CrysAlisPro 1.171.39.23b (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.39.23b (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.39.23b (Rigaku OD, 2015)'
_computing_publication_material  'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_solution    'SHELXL-2013 (Sheldrick, 2013)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 28.5714
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Rigaku Pilatus CCD'
_diffrn_measurement_method       CCD_Profile_fitting
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0238
_diffrn_reflns_av_unetI/netI     0.0338
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            5489
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.497
_diffrn_reflns_theta_min         2.465
_exptl_absorpt_coefficient_mu    30.747
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.19150
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    5.316
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1840
_exptl_crystal_size_max          0.153
_exptl_crystal_size_mid          0.132
_exptl_crystal_size_min          0.124
_refine_diff_density_max         0.966
_refine_diff_density_min         -0.632
_refine_diff_density_rms         0.169
_refine_ls_abs_structure_details
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.034(13)
_refine_ls_extinction_coef       0.000226(19)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.046
_refine_ls_matrix_type           full
_refine_ls_number_parameters     132
_refine_ls_number_reflns         2356
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.045
_refine_ls_R_factor_all          0.0237
_refine_ls_R_factor_gt           0.0218
_refine_ls_shift/su_max          0.025
_refine_ls_shift/su_mean         0.006
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
;
 w=1/[σ²(Fo²)+(0.0150P)²]
 where P=(Fo²+2Fc²)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0461
_refine_ls_wR_factor_ref         0.0464
_reflns_Friedel_coverage         0.995
_reflns_Friedel_fraction_full    0.999
_reflns_Friedel_fraction_max     1.000
_reflns_number_gt                2223
_reflns_number_total             2356
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d2dt01614a2.cif
_cod_data_source_block           CsAg3Ga8Se14
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_chemical_melting_point' value 'not measured' was changed
to '?' -- the value is undefined or not given.

data item '_exptl_crystal_density_meas' value 'not measured' was
changed to '?' -- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 7556 2019-12-06 15:28:31Z antanas 
;
_cod_original_sg_symbol_H-M      'C m'
_cod_database_code               7710806
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelxl_version_number           2013-2
loop_
_space_group_symop_operation_xyz
'x, y, z'
'x, -y, z'
'x+1/2, y+1/2, z'
'x+1/2, -y+1/2, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Cs1 Cs 0.39489(10) 0.0000 0.58903(13) 0.0291(3) Uani 1 2 d S T P . .
Ag1 Ag 0.00496(11) 0.0000 0.28262(16) 0.0276(3) Uani 1 2 d S T P . .
Ag2 Ag 0.79913(11) 0.0000 0.47825(15) 0.0246(3) Uani 1 2 d S T P . .
Ag3 Ag 0.21668(10) 0.0000 0.04240(15) 0.0251(3) Uani 1 2 d S T P . .
Ga1 Ga 0.20451(9) 0.32834(9) 0.05387(12) 0.0109(3) Uani 1 1 d . . . . .
Ga2 Ga 0.49844(10) 0.17049(8) 0.25806(14) 0.0110(3) Uani 1 1 d . . . . .
Ga3 Ga 0.40659(9) 0.33581(10) 0.85484(11) 0.0115(3) Uani 1 1 d . . . . .
Ga4 Ga 0.09942(10) 0.16329(10) 0.64997(14) 0.0109(3) Uani 1 1 d . . . . .
Se1 Se 0.00059(8) 0.33386(8) 0.00381(11) 0.0100(2) Uani 1 1 d . . . . .
Se2 Se -0.00182(12) 0.0000 0.00098(16) 0.0131(3) Uani 1 2 d S T P . .
Se3 Se 0.20154(8) 0.33529(7) 0.80129(10) 0.0099(2) Uani 1 1 d . . . . .
Se4 Se 0.78258(11) 0.0000 0.19194(14) 0.0129(3) Uani 1 2 d S T P . .
Se5 Se 0.40520(8) 0.31096(8) 0.61056(11) 0.0118(2) Uani 1 1 d . . . . .
Se6 Se 0.30335(8) 0.17697(10) 0.22074(10) 0.0120(2) Uani 1 1 d . . . . .
Se7 Se 0.11964(8) 0.18114(8) 0.41664(11) 0.0116(2) Uani 1 1 d . . . . .
Se8 Se 0.21293(11) 0.0000 0.77366(15) 0.0126(3) Uani 1 2 d S T P . .
Se9 Se 0.57649(12) 0.0000 0.40196(15) 0.0111(3) Uani 1 2 d S T P . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Ga Ga 0.2307 1.6083 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Se Se -0.0929 2.2259 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cs Cs -0.3680 2.1192 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Se8 Cs1 Se9 179.74(4) . . ?
Se8 Cs1 Se5 89.24(2) . 2 ?
Se9 Cs1 Se5 90.77(2) . 2 ?
Se8 Cs1 Se5 89.24(2) . . ?
Se9 Cs1 Se5 90.77(2) . . ?
Se5 Cs1 Se5 174.05(4) 2 . ?
Se8 Cs1 Se6 118.26(3) . 2 ?
Se9 Cs1 Se6 61.54(3) . 2 ?
Se5 Cs1 Se6 59.83(2) 2 2 ?
Se5 Cs1 Se6 125.77(3) . 2 ?
Se8 Cs1 Se6 118.26(3) . . ?
Se9 Cs1 Se6 61.54(3) . . ?
Se5 Cs1 Se6 125.77(3) 2 . ?
Se5 Cs1 Se6 59.83(2) . . ?
Se6 Cs1 Se6 65.95(4) 2 . ?
Se8 Cs1 Se7 61.32(3) . . ?
Se9 Cs1 Se7 118.48(3) . . ?
Se5 Cs1 Se7 125.71(4) 2 . ?
Se5 Cs1 Se7 58.10(2) . . ?
Se6 Cs1 Se7 93.48(3) 2 . ?
Se6 Cs1 Se7 56.95(2) . . ?
Se8 Cs1 Se7 61.32(3) . 2 ?
Se9 Cs1 Se7 118.48(3) . 2 ?
Se5 Cs1 Se7 58.10(2) 2 2 ?
Se5 Cs1 Se7 125.71(4) . 2 ?
Se6 Cs1 Se7 56.94(2) 2 2 ?
Se6 Cs1 Se7 93.48(3) . 2 ?
Se7 Cs1 Se7 67.67(3) . 2 ?
Se8 Cs1 Se3 117.84(3) . 4 ?
Se9 Cs1 Se3 62.38(3) . 4 ?
Se5 Cs1 Se3 116.57(3) 2 4 ?
Se5 Cs1 Se3 59.37(2) . 4 ?
Se6 Cs1 Se3 123.67(3) 2 4 ?
Se6 Cs1 Se3 91.89(2) . 4 ?
Se7 Cs1 Se3 117.474(18) . 4 ?
Se7 Cs1 Se3 174.13(3) 2 4 ?
Se8 Cs1 Se3 117.84(3) . 3_545 ?
Se9 Cs1 Se3 62.38(3) . 3_545 ?
Se5 Cs1 Se3 59.37(2) 2 3_545 ?
Se5 Cs1 Se3 116.57(3) . 3_545 ?
Se6 Cs1 Se3 91.89(2) 2 3_545 ?
Se6 Cs1 Se3 123.67(3) . 3_545 ?
Se7 Cs1 Se3 174.13(3) . 3_545 ?
Se7 Cs1 Se3 117.473(18) 2 3_545 ?
Se3 Cs1 Se3 57.24(3) 4 3_545 ?
Se8 Cs1 Se1 60.69(3) . 4_556 ?
Se9 Cs1 Se1 119.52(3) . 4_556 ?
Se5 Cs1 Se1 115.62(3) 2 4_556 ?
Se5 Cs1 Se1 58.76(2) . 4_556 ?
Se6 Cs1 Se1 175.43(3) 2 4_556 ?
Se6 Cs1 Se1 118.591(18) . 4_556 ?
Se7 Cs1 Se1 89.73(3) . 4_556 ?
Se7 Cs1 Se1 121.70(4) 2 4_556 ?
Se3 Cs1 Se1 57.14(2) 4 4_556 ?
Se3 Cs1 Se1 85.04(3) 3_545 4_556 ?
Se8 Cs1 Se1 60.69(3) . 3_546 ?
Se9 Cs1 Se1 119.52(3) . 3_546 ?
Se5 Cs1 Se1 58.76(2) 2 3_546 ?
Se5 Cs1 Se1 115.62(3) . 3_546 ?
Se6 Cs1 Se1 118.591(18) 2 3_546 ?
Se6 Cs1 Se1 175.44(3) . 3_546 ?
Se7 Cs1 Se1 121.70(4) . 3_546 ?
Se7 Cs1 Se1 89.73(3) 2 3_546 ?
Se3 Cs1 Se1 85.04(3) 4 3_546 ?
Se3 Cs1 Se1 57.14(2) 3_545 3_546 ?
Se1 Cs1 Se1 56.86(3) 4_556 3_546 ?
Se7 Ag1 Se7 110.97(6) . 2 ?
Se7 Ag1 Se4 117.78(4) . 1_455 ?
Se7 Ag1 Se4 117.78(4) 2 1_455 ?
Se7 Ag1 Se2 104.93(5) . . ?
Se7 Ag1 Se2 104.93(5) 2 . ?
Se4 Ag1 Se2 97.62(6) 1_455 . ?
Se7 Ag1 Cs1 57.12(3) . . ?
Se7 Ag1 Cs1 57.12(3) 2 . ?
Se4 Ag1 Cs1 162.00(6) 1_455 . ?
Se2 Ag1 Cs1 100.39(5) . . ?
Se5 Ag2 Se5 115.91(6) 4 3_545 ?
Se5 Ag2 Se9 113.73(4) 4 . ?
Se5 Ag2 Se9 113.73(4) 3_545 . ?
Se5 Ag2 Se4 106.55(4) 4 . ?
Se5 Ag2 Se4 106.55(4) 3_545 . ?
Se9 Ag2 Se4 98.21(6) . . ?
Se8 Ag3 Se6 118.26(5) 1_554 . ?
Se8 Ag3 Se6 118.26(5) 1_554 2 ?
Se6 Ag3 Se6 105.68(7) . 2 ?
Se8 Ag3 Se2 108.14(6) 1_554 . ?
Se6 Ag3 Se2 102.07(5) . . ?
Se6 Ag3 Se2 102.07(5) 2 . ?
Se6 Ga1 Se4 107.14(6) . 3_455 ?
Se6 Ga1 Se3 118.21(6) . 1_554 ?
Se4 Ga1 Se3 110.28(6) 3_455 1_554 ?
Se6 Ga1 Se1 110.94(6) . . ?
Se4 Ga1 Se1 103.54(5) 3_455 . ?
Se3 Ga1 Se1 105.80(5) 1_554 . ?
Se6 Ga2 Se7 114.70(6) . 4 ?
Se6 Ga2 Se9 104.79(7) . . ?
Se7 Ga2 Se9 104.88(6) 4 . ?
Se6 Ga2 Se1 109.63(6) . 4 ?
Se7 Ga2 Se1 110.86(6) 4 4 ?
Se9 Ga2 Se1 111.77(6) . 4 ?
Se2 Ga3 Se5 118.14(7) 3_556 . ?
Se2 Ga3 Se1 109.38(5) 3_556 4_556 ?
Se5 Ga3 Se1 105.39(6) . 4_556 ?
Se2 Ga3 Se3 109.18(7) 3_556 . ?
Se5 Ga3 Se3 105.45(5) . . ?
Se1 Ga3 Se3 108.94(6) 4_556 . ?
Se5 Ga4 Se8 123.24(6) 4_455 . ?
Se5 Ga4 Se7 113.14(6) 4_455 . ?
Se8 Ga4 Se7 103.84(5) . . ?
Se5 Ga4 Se3 103.38(5) 4_455 . ?
Se8 Ga4 Se3 108.35(6) . . ?
Se7 Ga4 Se3 103.16(6) . . ?
Ga3 Se1 Ga1 107.41(6) 4_454 . ?
Ga3 Se1 Ga2 110.15(5) 4_454 4_455 ?
Ga1 Se1 Ga2 107.21(5) . 4_455 ?
Ga3 Se1 Cs1 87.38(4) 4_454 3_454 ?
Ga1 Se1 Cs1 93.43(4) . 3_454 ?
Ga2 Se1 Cs1 146.54(4) 4_455 3_454 ?
Ga3 Se2 Ga3 109.08(8) 3_444 4_454 ?
Ga3 Se2 Ag3 107.45(6) 3_444 . ?
Ga3 Se2 Ag3 107.45(6) 4_454 . ?
Ga3 Se2 Ag1 112.58(5) 3_444 . ?
Ga3 Se2 Ag1 112.58(5) 4_454 . ?
Ag3 Se2 Ag1 107.43(6) . . ?
Ga1 Se3 Ga3 105.17(5) 1_556 . ?
Ga1 Se3 Ga4 109.08(5) 1_556 . ?
Ga3 Se3 Ga4 111.11(6) . . ?
Ga1 Se3 Cs1 95.39(4) 1_556 3_455 ?
Ga3 Se3 Cs1 145.32(4) . 3_455 ?
Ga4 Se3 Cs1 87.25(4) . 3_455 ?
Ga1 Se4 Ga1 116.07(7) 3_545 4 ?
Ga1 Se4 Ag1 108.30(4) 3_545 1_655 ?
Ga1 Se4 Ag1 108.30(4) 4 1_655 ?
Ga1 Se4 Ag2 113.33(4) 3_545 . ?
Ga1 Se4 Ag2 113.33(4) 4 . ?
Ag1 Se4 Ag2 95.20(6) 1_655 . ?
Ga3 Se5 Ga4 106.91(5) . 4 ?
Ga3 Se5 Ag2 98.57(5) . 3_455 ?
Ga4 Se5 Ag2 104.59(5) 4 3_455 ?
Ga3 Se5 Cs1 99.40(5) . . ?
Ga4 Se5 Cs1 98.32(5) 4 . ?
Ag2 Se5 Cs1 145.20(4) 3_455 . ?
Ga1 Se6 Ga2 109.77(6) . . ?
Ga1 Se6 Ag3 102.18(5) . . ?
Ga2 Se6 Ag3 100.62(5) . . ?
Ga1 Se6 Cs1 153.41(5) . . ?
Ga2 Se6 Cs1 88.84(4) . . ?
Ag3 Se6 Cs1 92.41(4) . . ?
Ga2 Se7 Ga4 110.54(6) 4_455 . ?
Ga2 Se7 Ag1 102.61(5) 4_455 . ?
Ga4 Se7 Ag1 96.81(6) . . ?
Ga2 Se7 Cs1 154.20(5) 4_455 . ?
Ga4 Se7 Cs1 90.91(4) . . ?
Ag1 Se7 Cs1 88.30(4) . . ?
Ga4 Se8 Ga4 107.23(8) . 2 ?
Ga4 Se8 Ag3 103.49(5) . 1_556 ?
Ga4 Se8 Ag3 103.49(5) 2 1_556 ?
Ga4 Se8 Cs1 98.38(5) . . ?
Ga4 Se8 Cs1 98.38(5) 2 . ?
Ag3 Se8 Cs1 142.62(6) 1_556 . ?
Ga2 Se9 Ga2 114.09(9) . 2 ?
Ga2 Se9 Ag2 106.55(5) . . ?
Ga2 Se9 Ag2 106.55(5) 2 . ?
Ga2 Se9 Cs1 95.40(6) . . ?
Ga2 Se9 Cs1 95.40(6) 2 . ?
Ag2 Se9 Cs1 138.46(5) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Cs1 Se8 3.5482(17) . ?
Cs1 Se9 3.5632(18) . ?
Cs1 Se5 3.6721(9) 2 ?
Cs1 Se5 3.6721(9) . ?
Cs1 Se6 3.8347(14) 2 ?
Cs1 Se6 3.8347(14) . ?
Cs1 Se7 3.8366(13) . ?
Cs1 Se7 3.8366(13) 2 ?
Cs1 Se3 4.0552(14) 4 ?
Cs1 Se3 4.0552(14) 3_545 ?
Cs1 Se1 4.1151(16) 4_556 ?
Cs1 Se1 4.1151(16) 3_546 ?
Ag1 Se7 2.5927(11) . ?
Ag1 Se7 2.5927(11) 2 ?
Ag1 Se4 2.6085(18) 1_455 ?
Ag1 Se2 2.694(2) . ?
Ag2 Se5 2.6301(11) 4 ?
Ag2 Se5 2.6301(11) 3_545 ?
Ag2 Se9 2.6378(17) . ?
Ag2 Se4 2.6876(18) . ?
Ag3 Se8 2.5855(19) 1_554 ?
Ag3 Se6 2.6189(13) . ?
Ag3 Se6 2.6189(13) 2 ?
Ag3 Se2 2.6768(17) . ?
Ga1 Se6 2.3620(17) . ?
Ga1 Se4 2.3862(13) 3_455 ?
Ga1 Se3 2.4346(17) 1_554 ?
Ga1 Se1 2.4651(13) . ?
Ga2 Se6 2.3901(16) . ?
Ga2 Se7 2.3912(15) 4 ?
Ga2 Se9 2.3962(13) . ?
Ga2 Se1 2.4797(15) 4 ?
Ga3 Se2 2.3772(13) 3_556 ?
Ga3 Se5 2.3798(14) . ?
Ga3 Se1 2.4474(17) 4_556 ?
Ga3 Se3 2.4690(14) . ?
Ga4 Se5 2.3906(14) 4_455 ?
Ga4 Se8 2.3921(15) . ?
Ga4 Se7 2.4025(15) . ?
Ga4 Se3 2.5040(16) . ?
Se1 Ga3 2.4474(17) 4_454 ?
Se1 Ga2 2.4796(15) 4_455 ?
Se1 Cs1 4.1151(16) 3_454 ?
Se2 Ga3 2.3772(13) 3_444 ?
Se2 Ga3 2.3772(13) 4_454 ?
Se3 Ga1 2.4345(17) 1_556 ?
Se3 Cs1 4.0552(14) 3_455 ?
Se4 Ga1 2.3862(13) 3_545 ?
Se4 Ga1 2.3862(13) 4 ?
Se4 Ag1 2.6085(18) 1_655 ?
Se5 Ga4 2.3906(14) 4 ?
Se5 Ag2 2.6301(11) 3_455 ?
Se7 Ga2 2.3912(15) 4_455 ?
Se8 Ga4 2.3921(15) 2 ?
Se8 Ag3 2.5855(19) 1_556 ?
Se9 Ga2 2.3962(13) 2 ?
